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reports/family_reports/family_reports.json
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| 1 |
+
{
|
| 2 |
+
"phase": "Per-Family Reports",
|
| 3 |
+
"timestamp": "2026-07-21 21:39:25",
|
| 4 |
+
"total_entries": 266732,
|
| 5 |
+
"n_families": 10,
|
| 6 |
+
"families": {
|
| 7 |
+
"borohydride": {
|
| 8 |
+
"family": "borohydride",
|
| 9 |
+
"battery_relevance": "medium",
|
| 10 |
+
"note": "Borohydride solid electrolytes \u2014 early stage research",
|
| 11 |
+
"count": 646,
|
| 12 |
+
"pct_of_total": 0.24,
|
| 13 |
+
"tiers": {
|
| 14 |
+
"gold": 57.74,
|
| 15 |
+
"raw": 26.32,
|
| 16 |
+
"validated": 15.94
|
| 17 |
+
},
|
| 18 |
+
"sources": {
|
| 19 |
+
"mp": {
|
| 20 |
+
"count": 406,
|
| 21 |
+
"pct": 62.85
|
| 22 |
+
},
|
| 23 |
+
"oqmd": {
|
| 24 |
+
"count": 150,
|
| 25 |
+
"pct": 23.22
|
| 26 |
+
},
|
| 27 |
+
"jarvis": {
|
| 28 |
+
"count": 90,
|
| 29 |
+
"pct": 13.93
|
| 30 |
+
}
|
| 31 |
+
},
|
| 32 |
+
"properties": {
|
| 33 |
+
"formation_energy_per_atom": {
|
| 34 |
+
"mean": -1.1947,
|
| 35 |
+
"median": -0.7808,
|
| 36 |
+
"std": 1.1818
|
| 37 |
+
},
|
| 38 |
+
"energy_above_hull": {
|
| 39 |
+
"mean": 0.1459,
|
| 40 |
+
"median": 0.0179,
|
| 41 |
+
"std": 0.7011
|
| 42 |
+
},
|
| 43 |
+
"band_gap": {
|
| 44 |
+
"mean": 4.1276,
|
| 45 |
+
"median": 4.9465,
|
| 46 |
+
"std": 2.1127
|
| 47 |
+
}
|
| 48 |
+
},
|
| 49 |
+
"quality": {
|
| 50 |
+
"mean": 81.77,
|
| 51 |
+
"median": 88.0,
|
| 52 |
+
"n_ge70": 571,
|
| 53 |
+
"pct_ge70": 88.39,
|
| 54 |
+
"n_ge80": 445,
|
| 55 |
+
"pct_ge80": 68.89
|
| 56 |
+
},
|
| 57 |
+
"structure": {
|
| 58 |
+
"volume_median": 650.13,
|
| 59 |
+
"density_median": 1.81
|
| 60 |
+
},
|
| 61 |
+
"elements": {
|
| 62 |
+
"n_unique": 41,
|
| 63 |
+
"top_5": {
|
| 64 |
+
"B": 646,
|
| 65 |
+
"H": 646,
|
| 66 |
+
"O": 348,
|
| 67 |
+
"Na": 155,
|
| 68 |
+
"Ca": 152
|
| 69 |
+
}
|
| 70 |
+
},
|
| 71 |
+
"cross_source_formulas": 32,
|
| 72 |
+
"n_carrier_containing": 646
|
| 73 |
+
},
|
| 74 |
+
"garnet": {
|
| 75 |
+
"family": "garnet",
|
| 76 |
+
"battery_relevance": "critical",
|
| 77 |
+
"note": "Garnet solid electrolytes (LLZO) \u2014 core SSB family \u2014 only 23 entries",
|
| 78 |
+
"count": 23,
|
| 79 |
+
"pct_of_total": 0.01,
|
| 80 |
+
"tiers": {
|
| 81 |
+
"gold": 82.61,
|
| 82 |
+
"validated": 17.39
|
| 83 |
+
},
|
| 84 |
+
"sources": {
|
| 85 |
+
"mp": {
|
| 86 |
+
"count": 21,
|
| 87 |
+
"pct": 91.3
|
| 88 |
+
},
|
| 89 |
+
"jarvis": {
|
| 90 |
+
"count": 2,
|
| 91 |
+
"pct": 8.7
|
| 92 |
+
}
|
| 93 |
+
},
|
| 94 |
+
"properties": {
|
| 95 |
+
"formation_energy_per_atom": {
|
| 96 |
+
"mean": -3.1057,
|
| 97 |
+
"median": -3.0903,
|
| 98 |
+
"std": 0.1795
|
| 99 |
+
},
|
| 100 |
+
"energy_above_hull": {
|
| 101 |
+
"mean": 0.0853,
|
| 102 |
+
"median": 0.0578,
|
| 103 |
+
"std": 0.0742
|
| 104 |
+
},
|
| 105 |
+
"band_gap": {
|
| 106 |
+
"mean": 1.5008,
|
| 107 |
+
"median": 0.0115,
|
| 108 |
+
"std": 1.7357
|
| 109 |
+
}
|
| 110 |
+
},
|
| 111 |
+
"quality": {
|
| 112 |
+
"mean": 87.3,
|
| 113 |
+
"median": 88.0,
|
| 114 |
+
"n_ge70": 23,
|
| 115 |
+
"pct_ge70": 100.0,
|
| 116 |
+
"n_ge80": 23,
|
| 117 |
+
"pct_ge80": 100.0
|
| 118 |
+
},
|
| 119 |
+
"structure": {
|
| 120 |
+
"volume_median": 1067.88,
|
| 121 |
+
"density_median": 5.11
|
| 122 |
+
},
|
| 123 |
+
"elements": {
|
| 124 |
+
"n_unique": 8,
|
| 125 |
+
"top_5": {
|
| 126 |
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"O": 23,
|
| 127 |
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"Li": 23,
|
| 128 |
+
"La": 22,
|
| 129 |
+
"Nb": 16,
|
| 130 |
+
"Ti": 6
|
| 131 |
+
}
|
| 132 |
+
},
|
| 133 |
+
"cross_source_formulas": 2,
|
| 134 |
+
"n_carrier_containing": 23
|
| 135 |
+
},
|
| 136 |
+
"halide_sse": {
|
| 137 |
+
"family": "halide_sse",
|
| 138 |
+
"battery_relevance": "critical",
|
| 139 |
+
"note": "Halide solid electrolytes (Li3YCl6, Li3InCl6) \u2014 emerging SSB family",
|
| 140 |
+
"count": 18803,
|
| 141 |
+
"pct_of_total": 7.05,
|
| 142 |
+
"tiers": {
|
| 143 |
+
"gold": 48.44,
|
| 144 |
+
"raw": 28.1,
|
| 145 |
+
"validated": 23.46
|
| 146 |
+
},
|
| 147 |
+
"sources": {
|
| 148 |
+
"mp": {
|
| 149 |
+
"count": 9082,
|
| 150 |
+
"pct": 48.3
|
| 151 |
+
},
|
| 152 |
+
"oqmd": {
|
| 153 |
+
"count": 5834,
|
| 154 |
+
"pct": 31.03
|
| 155 |
+
},
|
| 156 |
+
"jarvis": {
|
| 157 |
+
"count": 3887,
|
| 158 |
+
"pct": 20.67
|
| 159 |
+
}
|
| 160 |
+
},
|
| 161 |
+
"properties": {
|
| 162 |
+
"formation_energy_per_atom": {
|
| 163 |
+
"mean": -2.0968,
|
| 164 |
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"median": -2.1755,
|
| 165 |
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"std": 0.9393
|
| 166 |
+
},
|
| 167 |
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"energy_above_hull": {
|
| 168 |
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"mean": 0.1505,
|
| 169 |
+
"median": 0.0626,
|
| 170 |
+
"std": 0.4255
|
| 171 |
+
},
|
| 172 |
+
"band_gap": {
|
| 173 |
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"mean": 2.1399,
|
| 174 |
+
"median": 1.5641,
|
| 175 |
+
"std": 2.2003
|
| 176 |
+
}
|
| 177 |
+
},
|
| 178 |
+
"quality": {
|
| 179 |
+
"mean": 80.54,
|
| 180 |
+
"median": 80.0,
|
| 181 |
+
"n_ge70": 18116,
|
| 182 |
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"pct_ge70": 96.35,
|
| 183 |
+
"n_ge80": 13015,
|
| 184 |
+
"pct_ge80": 69.22
|
| 185 |
+
},
|
| 186 |
+
"structure": {
|
| 187 |
+
"volume_median": 300.27,
|
| 188 |
+
"density_median": 3.42
|
| 189 |
+
},
|
| 190 |
+
"elements": {
|
| 191 |
+
"n_unique": 78,
|
| 192 |
+
"top_5": {
|
| 193 |
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"F": 10941,
|
| 194 |
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"O": 5979,
|
| 195 |
+
"Li": 5509,
|
| 196 |
+
"K": 5028,
|
| 197 |
+
"Cl": 4311
|
| 198 |
+
}
|
| 199 |
+
},
|
| 200 |
+
"cross_source_formulas": 2126,
|
| 201 |
+
"n_carrier_containing": 18803
|
| 202 |
+
},
|
| 203 |
+
"intermetallic": {
|
| 204 |
+
"family": "intermetallic",
|
| 205 |
+
"battery_relevance": "low",
|
| 206 |
+
"note": "Alloy-type anode materials may be relevant, but most are structural alloys",
|
| 207 |
+
"count": 166930,
|
| 208 |
+
"pct_of_total": 62.58,
|
| 209 |
+
"tiers": {
|
| 210 |
+
"validated": 70.19,
|
| 211 |
+
"raw": 18.21,
|
| 212 |
+
"gold": 11.6
|
| 213 |
+
},
|
| 214 |
+
"sources": {
|
| 215 |
+
"oqmd": {
|
| 216 |
+
"count": 141903,
|
| 217 |
+
"pct": 85.01
|
| 218 |
+
},
|
| 219 |
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"mp": {
|
| 220 |
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"count": 14148,
|
| 221 |
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"pct": 8.48
|
| 222 |
+
},
|
| 223 |
+
"jarvis": {
|
| 224 |
+
"count": 10879,
|
| 225 |
+
"pct": 6.52
|
| 226 |
+
}
|
| 227 |
+
},
|
| 228 |
+
"properties": {
|
| 229 |
+
"formation_energy_per_atom": {
|
| 230 |
+
"mean": 0.1891,
|
| 231 |
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"median": 0.1051,
|
| 232 |
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"std": 0.6023
|
| 233 |
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},
|
| 234 |
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"energy_above_hull": {
|
| 235 |
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"mean": 0.4908,
|
| 236 |
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"median": 0.3654,
|
| 237 |
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"std": 0.5074
|
| 238 |
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},
|
| 239 |
+
"band_gap": {
|
| 240 |
+
"mean": 0.0458,
|
| 241 |
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"median": 0.0,
|
| 242 |
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"std": 0.3019
|
| 243 |
+
}
|
| 244 |
+
},
|
| 245 |
+
"quality": {
|
| 246 |
+
"mean": 75.52,
|
| 247 |
+
"median": 78.0,
|
| 248 |
+
"n_ge70": 137396,
|
| 249 |
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"pct_ge70": 82.31,
|
| 250 |
+
"n_ge80": 14866,
|
| 251 |
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"pct_ge80": 8.91
|
| 252 |
+
},
|
| 253 |
+
"structure": {
|
| 254 |
+
"volume_median": 75.85,
|
| 255 |
+
"density_median": 6.41
|
| 256 |
+
},
|
| 257 |
+
"elements": {
|
| 258 |
+
"n_unique": 76,
|
| 259 |
+
"top_5": {
|
| 260 |
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"Mg": 42365,
|
| 261 |
+
"Zn": 39769,
|
| 262 |
+
"Li": 36738,
|
| 263 |
+
"Ca": 22361,
|
| 264 |
+
"Na": 21786
|
| 265 |
+
}
|
| 266 |
+
},
|
| 267 |
+
"cross_source_formulas": 4992,
|
| 268 |
+
"n_carrier_containing": 166930
|
| 269 |
+
},
|
| 270 |
+
"layered_oxide": {
|
| 271 |
+
"family": "layered_oxide",
|
| 272 |
+
"battery_relevance": "high",
|
| 273 |
+
"note": "Cathode materials (NMC, NCA, LCO, LMO) \u2014 core SSB family",
|
| 274 |
+
"count": 42015,
|
| 275 |
+
"pct_of_total": 15.75,
|
| 276 |
+
"tiers": {
|
| 277 |
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"gold": 55.64,
|
| 278 |
+
"validated": 25.5,
|
| 279 |
+
"raw": 18.86
|
| 280 |
+
},
|
| 281 |
+
"sources": {
|
| 282 |
+
"mp": {
|
| 283 |
+
"count": 28727,
|
| 284 |
+
"pct": 68.37
|
| 285 |
+
},
|
| 286 |
+
"oqmd": {
|
| 287 |
+
"count": 7754,
|
| 288 |
+
"pct": 18.46
|
| 289 |
+
},
|
| 290 |
+
"jarvis": {
|
| 291 |
+
"count": 5534,
|
| 292 |
+
"pct": 13.17
|
| 293 |
+
}
|
| 294 |
+
},
|
| 295 |
+
"properties": {
|
| 296 |
+
"formation_energy_per_atom": {
|
| 297 |
+
"mean": -2.1685,
|
| 298 |
+
"median": -2.2546,
|
| 299 |
+
"std": 0.7007
|
| 300 |
+
},
|
| 301 |
+
"energy_above_hull": {
|
| 302 |
+
"mean": 0.1673,
|
| 303 |
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"median": 0.0753,
|
| 304 |
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"std": 0.3748
|
| 305 |
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},
|
| 306 |
+
"band_gap": {
|
| 307 |
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"mean": 1.1462,
|
| 308 |
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"median": 0.5868,
|
| 309 |
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"std": 1.3437
|
| 310 |
+
}
|
| 311 |
+
},
|
| 312 |
+
"quality": {
|
| 313 |
+
"mean": 83.02,
|
| 314 |
+
"median": 88.0,
|
| 315 |
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"n_ge70": 39891,
|
| 316 |
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"pct_ge70": 94.94,
|
| 317 |
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"n_ge80": 33878,
|
| 318 |
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"pct_ge80": 80.63
|
| 319 |
+
},
|
| 320 |
+
"structure": {
|
| 321 |
+
"volume_median": 320.67,
|
| 322 |
+
"density_median": 4.02
|
| 323 |
+
},
|
| 324 |
+
"elements": {
|
| 325 |
+
"n_unique": 73,
|
| 326 |
+
"top_5": {
|
| 327 |
+
"O": 42015,
|
| 328 |
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"Li": 17454,
|
| 329 |
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"P": 8190,
|
| 330 |
+
"Mn": 7894,
|
| 331 |
+
"Mg": 7118
|
| 332 |
+
}
|
| 333 |
+
},
|
| 334 |
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"cross_source_formulas": 2518,
|
| 335 |
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"n_carrier_containing": 42015
|
| 336 |
+
},
|
| 337 |
+
"nasicon": {
|
| 338 |
+
"family": "nasicon",
|
| 339 |
+
"battery_relevance": "critical",
|
| 340 |
+
"note": "NASICON-type solid electrolytes (LATP, LAGP) \u2014 core SSB family",
|
| 341 |
+
"count": 560,
|
| 342 |
+
"pct_of_total": 0.21,
|
| 343 |
+
"tiers": {
|
| 344 |
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"gold": 87.14,
|
| 345 |
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"validated": 12.5,
|
| 346 |
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"raw": 0.36
|
| 347 |
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},
|
| 348 |
+
"sources": {
|
| 349 |
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"mp": {
|
| 350 |
+
"count": 558,
|
| 351 |
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"pct": 99.64
|
| 352 |
+
},
|
| 353 |
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"jarvis": {
|
| 354 |
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"count": 2,
|
| 355 |
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"pct": 0.36
|
| 356 |
+
}
|
| 357 |
+
},
|
| 358 |
+
"properties": {
|
| 359 |
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"formation_energy_per_atom": {
|
| 360 |
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"mean": -2.7464,
|
| 361 |
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"median": -2.8321,
|
| 362 |
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"std": 0.525
|
| 363 |
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},
|
| 364 |
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"energy_above_hull": {
|
| 365 |
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"mean": 0.1254,
|
| 366 |
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"median": 0.0498,
|
| 367 |
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"std": 0.5
|
| 368 |
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},
|
| 369 |
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"band_gap": {
|
| 370 |
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"mean": 2.651,
|
| 371 |
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"median": 2.8,
|
| 372 |
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"std": 1.3241
|
| 373 |
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}
|
| 374 |
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},
|
| 375 |
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"quality": {
|
| 376 |
+
"mean": 86.39,
|
| 377 |
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"median": 88.0,
|
| 378 |
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"n_ge70": 560,
|
| 379 |
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"pct_ge70": 100.0,
|
| 380 |
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"n_ge80": 560,
|
| 381 |
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"pct_ge80": 100.0
|
| 382 |
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},
|
| 383 |
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"structure": {
|
| 384 |
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"volume_median": 1599.88,
|
| 385 |
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"density_median": 3.15
|
| 386 |
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},
|
| 387 |
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"elements": {
|
| 388 |
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"n_unique": 31,
|
| 389 |
+
"top_5": {
|
| 390 |
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"O": 560,
|
| 391 |
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"Na": 482,
|
| 392 |
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"Si": 416,
|
| 393 |
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"S": 278,
|
| 394 |
+
"P": 277
|
| 395 |
+
}
|
| 396 |
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},
|
| 397 |
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"cross_source_formulas": 2,
|
| 398 |
+
"n_carrier_containing": 560
|
| 399 |
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},
|
| 400 |
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"oxide": {
|
| 401 |
+
"family": "oxide",
|
| 402 |
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"battery_relevance": "medium",
|
| 403 |
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"note": "Generic oxide \u2014 may include battery-relevant oxides mixed with structural ceramics",
|
| 404 |
+
"count": 11928,
|
| 405 |
+
"pct_of_total": 4.47,
|
| 406 |
+
"tiers": {
|
| 407 |
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"raw": 46.81,
|
| 408 |
+
"gold": 32.33,
|
| 409 |
+
"validated": 20.86
|
| 410 |
+
},
|
| 411 |
+
"sources": {
|
| 412 |
+
"oqmd": {
|
| 413 |
+
"count": 5929,
|
| 414 |
+
"pct": 49.71
|
| 415 |
+
},
|
| 416 |
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"mp": {
|
| 417 |
+
"count": 4338,
|
| 418 |
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"pct": 36.37
|
| 419 |
+
},
|
| 420 |
+
"jarvis": {
|
| 421 |
+
"count": 1661,
|
| 422 |
+
"pct": 13.93
|
| 423 |
+
}
|
| 424 |
+
},
|
| 425 |
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"properties": {
|
| 426 |
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"formation_energy_per_atom": {
|
| 427 |
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"mean": -1.7009,
|
| 428 |
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"median": -1.7225,
|
| 429 |
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"std": 0.8381
|
| 430 |
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},
|
| 431 |
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"energy_above_hull": {
|
| 432 |
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"mean": 0.2829,
|
| 433 |
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"median": 0.1349,
|
| 434 |
+
"std": 0.4364
|
| 435 |
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},
|
| 436 |
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"band_gap": {
|
| 437 |
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"mean": 1.4121,
|
| 438 |
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"median": 0.439,
|
| 439 |
+
"std": 1.7139
|
| 440 |
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}
|
| 441 |
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},
|
| 442 |
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"quality": {
|
| 443 |
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"mean": 76.63,
|
| 444 |
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"median": 80.0,
|
| 445 |
+
"n_ge70": 10185,
|
| 446 |
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"pct_ge70": 85.39,
|
| 447 |
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"n_ge80": 6085,
|
| 448 |
+
"pct_ge80": 51.01
|
| 449 |
+
},
|
| 450 |
+
"structure": {
|
| 451 |
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"volume_median": 278.57,
|
| 452 |
+
"density_median": 4.11
|
| 453 |
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},
|
| 454 |
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"elements": {
|
| 455 |
+
"n_unique": 48,
|
| 456 |
+
"top_5": {
|
| 457 |
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"O": 11928,
|
| 458 |
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"Li": 2813,
|
| 459 |
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"Na": 2688,
|
| 460 |
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"Mg": 2467,
|
| 461 |
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"Ca": 2264
|
| 462 |
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}
|
| 463 |
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},
|
| 464 |
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"cross_source_formulas": 735,
|
| 465 |
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"n_carrier_containing": 11928
|
| 466 |
+
},
|
| 467 |
+
"polyanion": {
|
| 468 |
+
"family": "polyanion",
|
| 469 |
+
"battery_relevance": "high",
|
| 470 |
+
"note": "Polyanion cathodes (LiFePO4, LiMnPO4, Na3V2(PO4)3)",
|
| 471 |
+
"count": 4519,
|
| 472 |
+
"pct_of_total": 1.69,
|
| 473 |
+
"tiers": {
|
| 474 |
+
"gold": 50.37,
|
| 475 |
+
"raw": 30.43,
|
| 476 |
+
"validated": 19.21
|
| 477 |
+
},
|
| 478 |
+
"sources": {
|
| 479 |
+
"mp": {
|
| 480 |
+
"count": 2669,
|
| 481 |
+
"pct": 59.06
|
| 482 |
+
},
|
| 483 |
+
"oqmd": {
|
| 484 |
+
"count": 1373,
|
| 485 |
+
"pct": 30.38
|
| 486 |
+
},
|
| 487 |
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"jarvis": {
|
| 488 |
+
"count": 477,
|
| 489 |
+
"pct": 10.56
|
| 490 |
+
}
|
| 491 |
+
},
|
| 492 |
+
"properties": {
|
| 493 |
+
"formation_energy_per_atom": {
|
| 494 |
+
"mean": -2.2937,
|
| 495 |
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"median": -2.4999,
|
| 496 |
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"std": 0.8752
|
| 497 |
+
},
|
| 498 |
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"energy_above_hull": {
|
| 499 |
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"mean": 0.2525,
|
| 500 |
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"median": 0.0628,
|
| 501 |
+
"std": 0.5775
|
| 502 |
+
},
|
| 503 |
+
"band_gap": {
|
| 504 |
+
"mean": 2.8224,
|
| 505 |
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"median": 3.422,
|
| 506 |
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"std": 2.1849
|
| 507 |
+
}
|
| 508 |
+
},
|
| 509 |
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"quality": {
|
| 510 |
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"mean": 80.77,
|
| 511 |
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"median": 88.0,
|
| 512 |
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"n_ge70": 4135,
|
| 513 |
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"pct_ge70": 91.5,
|
| 514 |
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"n_ge80": 3127,
|
| 515 |
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"pct_ge80": 69.2
|
| 516 |
+
},
|
| 517 |
+
"structure": {
|
| 518 |
+
"volume_median": 590.59,
|
| 519 |
+
"density_median": 2.97
|
| 520 |
+
},
|
| 521 |
+
"elements": {
|
| 522 |
+
"n_unique": 49,
|
| 523 |
+
"top_5": {
|
| 524 |
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"O": 4519,
|
| 525 |
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"P": 2634,
|
| 526 |
+
"Si": 1999,
|
| 527 |
+
"Na": 1237,
|
| 528 |
+
"Li": 1004
|
| 529 |
+
}
|
| 530 |
+
},
|
| 531 |
+
"cross_source_formulas": 233,
|
| 532 |
+
"n_carrier_containing": 4519
|
| 533 |
+
},
|
| 534 |
+
"sulfide_sse": {
|
| 535 |
+
"family": "sulfide_sse",
|
| 536 |
+
"battery_relevance": "critical",
|
| 537 |
+
"note": "Solid electrolytes (LGPS, argyrodites, thio-LISICONs) \u2014 core SSB family",
|
| 538 |
+
"count": 16359,
|
| 539 |
+
"pct_of_total": 6.13,
|
| 540 |
+
"tiers": {
|
| 541 |
+
"gold": 42.22,
|
| 542 |
+
"raw": 38.91,
|
| 543 |
+
"validated": 18.86
|
| 544 |
+
},
|
| 545 |
+
"sources": {
|
| 546 |
+
"mp": {
|
| 547 |
+
"count": 7666,
|
| 548 |
+
"pct": 46.86
|
| 549 |
+
},
|
| 550 |
+
"oqmd": {
|
| 551 |
+
"count": 6442,
|
| 552 |
+
"pct": 39.38
|
| 553 |
+
},
|
| 554 |
+
"jarvis": {
|
| 555 |
+
"count": 2251,
|
| 556 |
+
"pct": 13.76
|
| 557 |
+
}
|
| 558 |
+
},
|
| 559 |
+
"properties": {
|
| 560 |
+
"formation_energy_per_atom": {
|
| 561 |
+
"mean": -1.3724,
|
| 562 |
+
"median": -1.2324,
|
| 563 |
+
"std": 0.8322
|
| 564 |
+
},
|
| 565 |
+
"energy_above_hull": {
|
| 566 |
+
"mean": 0.1641,
|
| 567 |
+
"median": 0.0852,
|
| 568 |
+
"std": 0.4636
|
| 569 |
+
},
|
| 570 |
+
"band_gap": {
|
| 571 |
+
"mean": 1.3752,
|
| 572 |
+
"median": 1.106,
|
| 573 |
+
"std": 1.4417
|
| 574 |
+
}
|
| 575 |
+
},
|
| 576 |
+
"quality": {
|
| 577 |
+
"mean": 78.81,
|
| 578 |
+
"median": 80.0,
|
| 579 |
+
"n_ge70": 15170,
|
| 580 |
+
"pct_ge70": 92.73,
|
| 581 |
+
"n_ge80": 9677,
|
| 582 |
+
"pct_ge80": 59.15
|
| 583 |
+
},
|
| 584 |
+
"structure": {
|
| 585 |
+
"volume_median": 663.36,
|
| 586 |
+
"density_median": 3.28
|
| 587 |
+
},
|
| 588 |
+
"elements": {
|
| 589 |
+
"n_unique": 74,
|
| 590 |
+
"top_5": {
|
| 591 |
+
"S": 11286,
|
| 592 |
+
"O": 6894,
|
| 593 |
+
"Se": 5337,
|
| 594 |
+
"Na": 4841,
|
| 595 |
+
"Mg": 3289
|
| 596 |
+
}
|
| 597 |
+
},
|
| 598 |
+
"cross_source_formulas": 983,
|
| 599 |
+
"n_carrier_containing": 16359
|
| 600 |
+
},
|
| 601 |
+
"unknown": {
|
| 602 |
+
"family": "unknown",
|
| 603 |
+
"battery_relevance": "unknown",
|
| 604 |
+
"note": "Classification failed or ambiguous composition",
|
| 605 |
+
"count": 4949,
|
| 606 |
+
"pct_of_total": 1.86,
|
| 607 |
+
"tiers": {
|
| 608 |
+
"raw": 37.64,
|
| 609 |
+
"validated": 33.8,
|
| 610 |
+
"gold": 28.55
|
| 611 |
+
},
|
| 612 |
+
"sources": {
|
| 613 |
+
"oqmd": {
|
| 614 |
+
"count": 2395,
|
| 615 |
+
"pct": 48.39
|
| 616 |
+
},
|
| 617 |
+
"mp": {
|
| 618 |
+
"count": 1664,
|
| 619 |
+
"pct": 33.62
|
| 620 |
+
},
|
| 621 |
+
"jarvis": {
|
| 622 |
+
"count": 890,
|
| 623 |
+
"pct": 17.98
|
| 624 |
+
}
|
| 625 |
+
},
|
| 626 |
+
"properties": {
|
| 627 |
+
"formation_energy_per_atom": {
|
| 628 |
+
"mean": 0.0778,
|
| 629 |
+
"median": 0.0436,
|
| 630 |
+
"std": 0.6778
|
| 631 |
+
},
|
| 632 |
+
"energy_above_hull": {
|
| 633 |
+
"mean": 0.4031,
|
| 634 |
+
"median": 0.231,
|
| 635 |
+
"std": 0.5492
|
| 636 |
+
},
|
| 637 |
+
"band_gap": {
|
| 638 |
+
"mean": 0.6314,
|
| 639 |
+
"median": 0.0,
|
| 640 |
+
"std": 1.2846
|
| 641 |
+
}
|
| 642 |
+
},
|
| 643 |
+
"quality": {
|
| 644 |
+
"mean": 76.15,
|
| 645 |
+
"median": 78.0,
|
| 646 |
+
"n_ge70": 3603,
|
| 647 |
+
"pct_ge70": 72.8,
|
| 648 |
+
"n_ge80": 1973,
|
| 649 |
+
"pct_ge80": 39.87
|
| 650 |
+
},
|
| 651 |
+
"structure": {
|
| 652 |
+
"volume_median": 211.28,
|
| 653 |
+
"density_median": 2.41
|
| 654 |
+
},
|
| 655 |
+
"elements": {
|
| 656 |
+
"n_unique": 58,
|
| 657 |
+
"top_5": {
|
| 658 |
+
"Mg": 1541,
|
| 659 |
+
"Si": 1435,
|
| 660 |
+
"N": 1197,
|
| 661 |
+
"Li": 813,
|
| 662 |
+
"C": 745
|
| 663 |
+
}
|
| 664 |
+
},
|
| 665 |
+
"cross_source_formulas": 292,
|
| 666 |
+
"n_carrier_containing": 4949
|
| 667 |
+
}
|
| 668 |
+
}
|
| 669 |
+
}
|