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{
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{
"id": "mp-1238545",
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"structure_string": "Al2 Fe1 P2 H18 O18\n1.0\n5.364688 0.000000 0.000000\n2.550088 6.554154 0.000000\n1.561998 1.921561 11.227137\nAl Fe P H O\n2 1 2 18 18\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Fe\n0.594458 0.926680 0.361054 P\n0.405542 0.073320 0.638946 P\n0.654197 0.325304 0.524090 H\n0.345803 0.674696 0.475910 H\n0.711022 0.621387 0.757125 H\n0.288978 0.378613 0.242875 H\n0.391873 0.542625 0.826666 H\n0.608127 0.457375 0.173334 H\n0.742951 0.553351 0.895926 H\n0.257049 0.446649 0.104074 H\n0.956093 0.314682 0.081563 H\n0.043907 0.685318 0.918437 H\n0.683704 0.162363 0.007554 H\n0.316296 0.837637 0.992446 H\n0.485537 0.948328 0.821916 H\n0.514463 0.051672 0.178084 H\n0.729290 0.640550 0.150406 H\n0.270710 0.359450 0.849594 H\n0.945212 0.459236 0.306582 H\n0.054788 0.540764 0.693418 H\n0.774044 0.044797 0.376089 O\n0.225956 0.955203 0.623911 O\n0.676953 0.703230 0.429904 O\n0.323047 0.296770 0.570096 O\n0.630014 0.914731 0.218249 O\n0.369986 0.085269 0.781751 O\n0.706718 0.962832 0.613942 O\n0.293282 0.037168 0.386058 O\n0.850982 0.288073 0.513842 O\n0.149018 0.711927 0.486158 O\n0.609414 0.642630 0.840282 O\n0.390586 0.357370 0.159718 O\n0.068472 0.217622 0.025206 O\n0.931528 0.782378 0.974794 O\n0.894496 0.548724 0.655827 O\n0.105504 0.451276 0.344173 O\n0.777475 0.489952 0.171093 O\n0.222525 0.510048 0.828907 O\n",
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"formula_full": "Al2 Fe1 P2 H18 O18",
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},
{
"id": "mp-1095825",
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"volume": 673.9937978038138,
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"formula_full": "Al2 Fe1 Pt1",
"formula_reduced": "Al2FePt",
"formula_anonymous": "ABC2",
"energy": -14.57371801,
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},
{
"id": "mp-1183147",
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"structure_string": "Al2 Fe1 Rh1\n1.0\n0.000000 2.944279 2.944279\n2.944279 0.000000 2.944279\n2.944279 2.944279 0.000000\nAl Fe Rh\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Al\n0.250000 0.250000 0.250000 Al\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Rh\n",
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"elements": [
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"density": 6.919543260343665,
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"formula_full": "Al2 Fe1 Rh1",
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},
{
"id": "mp-1096451",
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"formula_full": "Al2 Fe1 Rh1",
"formula_reduced": "Al2FeRh",
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{
"id": "mp-1261855",
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"structure_string": "Al2 Fe1 Rh1\n1.0\n-8.315235 0.000000 -4.800803\n-8.247817 -0.686320 4.684031\n-5.197484 7.941327 -0.599301\nAl Fe Rh\n2 1 1\ndirect\n0.743052 0.000000 0.000000 Al\n0.256948 0.000000 0.000000 Al\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.000000 Rh\n",
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"density": 0.554107410476036,
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"volume": 637.4562011964124,
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"formula_full": "Al2 Fe1 Rh1",
"formula_reduced": "Al2FeRh",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:46.270000Z",
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},
{
"id": "mp-1078015",
"created_at": "2022-09-04T14:43:11.864854Z",
"structure_string": "Al2 Fe1 S4\n1.0\n11.984639 -1.779385 0.000000\n11.984639 1.779385 0.000000\n11.720450 0.000000 3.070641\nAl Fe S\n2 1 4\ndirect\n0.759118 0.759118 0.759118 Al\n0.240882 0.240882 0.240882 Al\n0.000000 0.000000 0.000000 Fe\n0.879503 0.879503 0.879503 S\n0.120497 0.120497 0.120497 S\n0.304216 0.304216 0.304216 S\n0.695784 0.695784 0.695784 S\n",
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"density": 3.018535860455202,
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"volume": 130.9646003812356,
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"formula_full": "Al2 Fe1 S4",
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"formula_anonymous": "AB2C4",
"energy": -39.93139374,
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},
{
"id": "mp-1025204",
"created_at": "2022-09-04T14:45:34.267034Z",
"structure_string": "Al2 Fe1 S4\n1.0\n12.377258 -1.798052 0.000000\n12.377258 1.798052 0.000000\n12.116054 0.000000 3.103344\nAl Fe S\n2 1 4\ndirect\n0.298179 0.298179 0.298179 Al\n0.532866 0.532866 0.532866 Al\n0.061032 0.061032 0.061032 Fe\n0.996649 0.996649 0.996649 S\n0.173475 0.173475 0.173475 S\n0.417255 0.417255 0.417255 S\n0.593344 0.593344 0.593344 S\n",
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],
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"volume": 138.12955283779664,
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"formula_full": "Al2 Fe1 S4",
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"energy": -39.7105448,
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{
"id": "mp-1097081",
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"structure_string": "Al2 Fe1 Tc1\n1.0\n-4.953993 5.309016 7.723454\n4.953993 -5.309016 7.723454\n4.953993 5.309016 -7.723454\nAl Fe Tc\n2 1 1\ndirect\n0.000000 0.250981 0.250981 Al\n0.000000 0.749019 0.749019 Al\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Tc\n",
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{
"id": "mp-1229147",
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"structure_string": "Al2 Fe2 B4 Pb4 O16\n1.0\n-0.000044 -0.045403 5.953772\n7.115248 0.000035 -0.000053\n0.000041 8.311122 -0.063254\nAl Fe B Pb O\n2 2 4 4 16\ndirect\n0.999944 0.499998 0.500017 Al\n0.500101 0.000011 0.999972 Al\n0.000015 0.000019 0.999936 Fe\n0.499946 0.499948 0.499853 Fe\n0.246975 0.773538 0.739256 B\n0.252988 0.273530 0.760769 B\n0.753014 0.226476 0.260789 B\n0.746960 0.726469 0.239231 B\n0.244848 0.567550 0.142784 Pb\n0.255147 0.067560 0.357249 Pb\n0.755121 0.432466 0.857212 Pb\n0.744891 0.932471 0.642825 Pb\n0.241363 0.671694 0.596526 O\n0.258631 0.171699 0.903481 O\n0.758613 0.328307 0.403461 O\n0.741383 0.828309 0.096558 O\n0.045436 0.825625 0.808998 O\n0.454560 0.325623 0.691007 O\n0.954603 0.174376 0.191048 O\n0.545408 0.674377 0.308965 O\n0.551409 0.172560 0.186715 O\n0.948576 0.672566 0.313299 O\n0.448569 0.827435 0.813308 O\n0.051419 0.327441 0.686710 O\n0.263949 0.900743 0.112982 O\n0.236084 0.400753 0.387033 O\n0.736172 0.099218 0.887079 O\n0.763877 0.599238 0.612938 O\n",
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"formula_full": "Al2 Fe2 B4 Pb4 O16",
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{
"id": "mp-1245631",
"created_at": "2022-09-04T14:46:27.553402Z",
"structure_string": "Al2 Fe2 N4\n1.0\n5.240161 0.333873 -0.450204\n-2.079365 3.858994 0.000000\n-6.321591 -3.406302 4.593165\nAl Fe N\n2 2 4\ndirect\n0.000000 0.500000 0.250000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.750000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.995513 0.125000 N\n0.500000 0.004487 0.625000 N\n0.508975 0.504487 0.379487 N\n0.491025 0.495513 0.870513 N\n",
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{
"id": "mp-1398131",
"created_at": "2022-09-04T14:44:58.782503Z",
"structure_string": "Al2 Fe2 O6\n1.0\n1.593800 -2.760542 0.000000\n1.593800 2.760542 0.000000\n0.000000 0.000000 11.964116\nAl Fe O\n2 2 6\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.750000 Fe\n0.333333 0.666667 0.250000 Fe\n0.333333 0.666667 0.424263 O\n0.666667 0.333333 0.924263 O\n0.666667 0.333333 0.575737 O\n0.333333 0.666667 0.075737 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
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"formula_full": "Al2 Fe2 O6",
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{
"id": "mp-1047560",
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"structure_string": "Al2 Fe2 W4 O16\n1.0\n4.518743 -0.178228 -2.362361\n3.112227 5.615831 2.066744\n4.970062 -5.199117 5.383938\nAl Fe W O\n2 2 4 16\ndirect\n0.590088 0.353779 0.692413 Al\n0.590047 0.853718 0.192417 Al\n0.014943 0.158250 0.942219 Fe\n0.014774 0.657944 0.442318 Fe\n0.275655 0.500148 0.089562 W\n0.275755 0.000194 0.589529 W\n0.746269 0.829461 0.780207 W\n0.746176 0.329351 0.280212 W\n0.353512 0.761094 0.105508 O\n0.353524 0.261195 0.605498 O\n0.300557 0.411011 0.887249 O\n0.300566 0.911008 0.387256 O\n0.361639 0.479146 0.314372 O\n0.361761 0.979280 0.814345 O\n0.127987 0.245138 0.160541 O\n0.128088 0.745220 0.660563 O\n0.785365 0.892308 0.978789 O\n0.785406 0.392319 0.478771 O\n0.703206 0.569124 0.770431 O\n0.703222 0.069011 0.270481 O\n0.683271 0.359559 0.062264 O\n0.683433 0.859731 0.562225 O\n0.857241 0.628251 0.225206 O\n0.857323 0.128354 0.725227 O\n",
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"updated_at": "2021-11-28T01:37:45.212000Z",
"spacegroup": 1
}
]
}