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{
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"results": [
{
"id": "mp-867878",
"created_at": "2022-09-04T14:48:24.783115Z",
"structure_string": "Al1 Fe2 Si1\n1.0\n0.000000 2.802675 2.802675\n2.802675 0.000000 2.802675\n2.802675 2.802675 0.000000\nAl Fe Si\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.000000 0.000000 0.000000 Si\n",
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{
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"structure_string": "Al4 Fe6 Si6\n1.0\n4.604266 0.000000 0.000000\n-1.164876 6.219557 0.000000\n-2.153736 -1.968649 6.866958\nAl Fe Si\n4 6 6\ndirect\n0.413672 0.675091 0.050944 Al\n0.947109 0.354730 0.727390 Al\n0.052891 0.645270 0.272610 Al\n0.586328 0.324909 0.949056 Al\n0.635108 0.971811 0.767327 Fe\n0.364892 0.028189 0.232673 Fe\n0.864878 0.682089 0.943280 Fe\n0.135122 0.317911 0.056720 Fe\n0.960221 0.707596 0.584437 Fe\n0.039779 0.292404 0.415563 Fe\n0.543063 0.413038 0.347819 Si\n0.275790 0.042529 0.532891 Si\n0.456937 0.586962 0.652181 Si\n0.820819 0.023673 0.113773 Si\n0.179181 0.976327 0.886227 Si\n0.724210 0.957471 0.467109 Si\n",
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"formula_full": "Al4 Fe6 Si6",
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},
{
"id": "mp-1229249",
"created_at": "2022-09-04T14:41:29.202141Z",
"structure_string": "Al79 Fe26 Si18\n1.0\n8.801302 0.000000 0.000000\n2.883493 8.320441 0.000000\n3.018462 2.157333 24.211520\nAl Fe Si\n79 26 18\ndirect\n0.680051 0.679256 0.705237 Al\n0.347016 0.347082 0.038185 Al\n0.013743 0.012906 0.371559 Al\n0.652984 0.652918 0.961815 Al\n0.319949 0.320744 0.294763 Al\n0.986257 0.987094 0.628441 Al\n0.631366 0.546661 0.809820 Al\n0.298324 0.213422 0.142814 Al\n0.964780 0.877203 0.477270 Al\n0.671272 0.382458 0.686993 Al\n0.336289 0.051643 0.019620 Al\n0.000144 0.717296 0.351473 Al\n0.353341 0.728467 0.716008 Al\n0.022472 0.393655 0.048186 Al\n0.689617 0.058716 0.380493 Al\n0.701676 0.786578 0.857186 Al\n0.368634 0.453339 0.190180 Al\n0.035220 0.122797 0.522730 Al\n0.663711 0.948357 0.980380 Al\n0.328728 0.617542 0.313007 Al\n0.999856 0.282704 0.648527 Al\n0.977528 0.606345 0.951814 Al\n0.646659 0.271533 0.283992 Al\n0.310383 0.941284 0.619507 Al\n0.927427 0.431258 0.864619 Al\n0.594736 0.098952 0.198047 Al\n0.246206 0.775171 0.533532 Al\n0.393464 0.003425 0.902589 Al\n0.059192 0.669796 0.236538 Al\n0.736546 0.325128 0.574008 Al\n0.170654 0.057133 0.734953 Al\n0.838133 0.723185 0.067734 Al\n0.503410 0.383742 0.396123 Al\n0.405264 0.901048 0.801953 Al\n0.072573 0.568742 0.135381 Al\n0.753794 0.224829 0.466468 Al\n0.940808 0.330204 0.763462 Al\n0.606536 0.996575 0.097411 Al\n0.263454 0.674872 0.425992 Al\n0.161867 0.276815 0.932266 Al\n0.829346 0.942867 0.265047 Al\n0.496590 0.616258 0.603877 Al\n0.173784 0.880757 0.883549 Al\n0.840774 0.546922 0.216413 Al\n0.507642 0.200592 0.554717 Al\n0.949473 0.035934 0.814169 Al\n0.616214 0.701774 0.147197 Al\n0.276151 0.358528 0.479488 Al\n0.937814 0.145680 0.912045 Al\n0.603638 0.813620 0.244228 Al\n0.257207 0.478414 0.583031 Al\n0.159226 0.453078 0.783587 Al\n0.826216 0.119243 0.116451 Al\n0.492358 0.799408 0.445283 Al\n0.383786 0.298226 0.852803 Al\n0.050527 0.964066 0.185831 Al\n0.723849 0.641472 0.520512 Al\n0.396362 0.186380 0.755772 Al\n0.062186 0.854320 0.087955 Al\n0.742793 0.521586 0.416969 Al\n0.500000 0.500000 0.500000 Al\n0.024831 0.816027 0.726473 Al\n0.692332 0.482681 0.059664 Al\n0.358751 0.146368 0.391705 Al\n0.625569 0.405189 0.916288 Al\n0.292039 0.073195 0.248976 Al\n0.956699 0.738887 0.583605 Al\n0.334894 0.765279 0.985968 Al\n0.002392 0.432794 0.318486 Al\n0.668504 0.098159 0.654739 Al\n0.307668 0.517319 0.940336 Al\n0.975169 0.183973 0.273527 Al\n0.641249 0.853632 0.608295 Al\n0.707961 0.926805 0.751024 Al\n0.374431 0.594811 0.083712 Al\n0.043301 0.261113 0.416395 Al\n0.997608 0.567206 0.681514 Al\n0.665106 0.234721 0.014032 Al\n0.331496 0.901841 0.345261 Al\n0.890520 0.890485 0.902200 Fe\n0.556110 0.557525 0.235798 Fe\n0.224777 0.223732 0.568638 Fe\n0.443890 0.442475 0.764202 Fe\n0.109480 0.109515 0.097800 Fe\n0.775223 0.776268 0.431362 Fe\n0.877998 0.626946 0.778802 Fe\n0.545866 0.293102 0.112213 Fe\n0.213111 0.961038 0.445891 Fe\n0.458549 0.215851 0.947445 Fe\n0.125017 0.883667 0.280934 Fe\n0.792306 0.548902 0.613596 Fe\n0.465582 0.960684 0.698242 Fe\n0.132409 0.625787 0.031756 Fe\n0.798181 0.293487 0.364403 Fe\n0.454134 0.706898 0.887787 Fe\n0.122002 0.373054 0.221198 Fe\n0.786889 0.038962 0.554109 Fe\n0.874983 0.116333 0.719066 Fe\n0.541451 0.784149 0.052555 Fe\n0.207694 0.451098 0.386404 Fe\n0.867591 0.374213 0.968244 Fe\n0.534418 0.039316 0.301758 Fe\n0.201819 0.706513 0.635597 Fe\n0.166892 0.166688 0.833096 Fe\n0.833108 0.833312 0.166904 Fe\n0.016848 0.709169 0.839181 Si\n0.683711 0.375922 0.172563 Si\n0.352540 0.037707 0.507195 Si\n0.667612 0.101043 0.881399 Si\n0.333066 0.768779 0.214358 Si\n0.997899 0.430576 0.547055 Si\n0.998675 0.871613 0.983856 Si\n0.663948 0.539694 0.316420 Si\n0.326152 0.207655 0.652674 Si\n0.316289 0.624078 0.827437 Si\n0.983152 0.290831 0.160819 Si\n0.647460 0.962293 0.492805 Si\n0.666934 0.231221 0.785642 Si\n0.332388 0.898957 0.118601 Si\n0.002101 0.569424 0.452945 Si\n0.336052 0.460306 0.683580 Si\n0.001325 0.128387 0.016144 Si\n0.673848 0.792345 0.347326 Si\n",
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"elements": [
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"formula_full": "Al79 Fe26 Si18",
"formula_reduced": "Al79(Fe13Si9)2",
"formula_anonymous": "A18B26C79",
"energy": -651.1525557599999,
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"updated_at": "2021-11-28T01:35:21.903000Z",
"spacegroup": 2
},
{
"id": "mp-1219472",
"created_at": "2022-09-04T14:39:34.881772Z",
"structure_string": "Sc1 Al6 Fe6\n1.0\n-2.477192 4.210217 4.282770\n2.477192 -4.210217 4.282770\n2.477192 4.210217 -4.282770\nSc Al Fe\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Sc\n0.342891 0.342891 0.000000 Al\n0.657109 0.657109 0.000000 Al\n0.667759 0.000000 0.667759 Al\n0.332241 0.000000 0.332241 Al\n0.817713 0.317713 0.500000 Al\n0.182287 0.682287 0.500000 Al\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.240933 0.500000 0.740933 Fe\n0.759067 0.500000 0.259067 Fe\n",
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"formula_full": "Sc1 Al6 Fe6",
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},
{
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{
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{
"id": "mp-1078015",
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"formula_full": "Al2 Fe1 S4",
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},
{
"id": "mp-1926096",
"created_at": "2022-09-04T14:48:11.598253Z",
"structure_string": "Al2 Fe4 S8\n1.0\n6.088832 -0.067785 -3.236726\n-1.691459 5.903303 -3.137651\n-0.309188 -0.295231 6.891495\nAl Fe S\n2 4 8\ndirect\n0.000000 0.500001 0.000001 Al\n0.000001 0.000000 0.500000 Al\n0.366285 0.616285 0.750000 Fe\n0.633715 0.383716 0.250000 Fe\n0.500001 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.754963 0.784835 0.531678 S\n0.753158 0.223287 0.968324 S\n0.227626 0.237009 0.989481 S\n0.245037 0.215165 0.468323 S\n0.252472 0.761854 0.489480 S\n0.246842 0.776714 0.031678 S\n0.747527 0.238145 0.510519 S\n0.772374 0.762992 0.010519 S\n",
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{
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"formula_full": "Al2 Fe4 S8",
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{
"id": "mp-1025204",
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"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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"elements": [
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"Fe",
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],
"chemical_system": "Al-Fe-S",
"density": 2.861960634630913,
"density_atomic": 0.05067706262844411,
"volume": 138.12955283779664,
"volume_molar": 11.883365861500982,
"formula_full": "Al2 Fe1 S4",
"formula_reduced": "Al2FeS4",
"formula_anonymous": "AB2C4",
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"energy_uncorrected": -37.6985448,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:07.257000Z",
"spacegroup": 160
},
{
"id": "mp-1096308",
"created_at": "2022-09-04T14:43:40.868940Z",
"structure_string": "Al1 Fe1 Ru2\n1.0\n-4.664196 4.807408 6.791077\n4.664196 -4.807408 6.791077\n4.664196 4.807408 -6.791077\nAl Fe Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Fe\n0.000000 0.255098 0.255098 Ru\n0.000000 0.744902 0.744902 Ru\n",
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],
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"density": 0.7768846572416486,
"density_atomic": 0.00656709911948989,
"volume": 609.0969432955211,
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"formula_full": "Al1 Fe1 Ru2",
"formula_reduced": "AlFeRu2",
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"updated_at": "2021-11-28T01:36:14.800000Z",
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{
"id": "mp-1096451",
"created_at": "2022-09-04T14:40:38.534035Z",
"structure_string": "Al2 Fe1 Rh1\n1.0\n-4.809789 4.864242 6.818252\n4.809789 -4.864242 6.818252\n4.809789 4.864242 -6.818252\nAl Fe Rh\n2 1 1\ndirect\n0.000000 0.257465 0.257465 Al\n0.000000 0.742535 0.742535 Al\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Rh\n",
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"elements": [
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],
"chemical_system": "Al-Fe-Rh",
"density": 0.5535668447695636,
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"volume": 638.0786860236753,
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"formula_full": "Al2 Fe1 Rh1",
"formula_reduced": "Al2FeRh",
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"updated_at": "2021-11-28T01:35:04.468000Z",
"spacegroup": 71
}
]
}