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{
"id": "mp-645364",
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"structure_string": "Sr24 P48 N96\n1.0\n8.626459 -14.941465 0.000000\n8.626459 14.941465 0.000000\n0.000000 0.000000 8.189780\nSr P N\n24 48 96\ndirect\n0.333180 0.151396 0.318343 Sr\n0.666667 0.333333 0.299629 Sr\n0.818215 0.666820 0.318343 Sr\n0.480944 0.476713 0.826056 Sr\n0.519056 0.523287 0.326056 Sr\n0.000000 0.000000 0.345803 Sr\n0.333333 0.666667 0.298659 Sr\n0.333333 0.666667 0.799629 Sr\n0.151396 0.818215 0.818343 Sr\n0.995769 0.519056 0.826056 Sr\n0.181785 0.333180 0.818343 Sr\n0.523287 0.004231 0.826056 Sr\n0.000000 0.000000 0.845803 Sr\n0.004231 0.480944 0.326056 Sr\n0.848604 0.181785 0.318343 Sr\n0.331359 0.191622 0.817507 Sr\n0.668641 0.808378 0.317507 Sr\n0.191622 0.860263 0.317507 Sr\n0.808378 0.139737 0.817507 Sr\n0.860263 0.668641 0.817507 Sr\n0.139737 0.331359 0.317507 Sr\n0.666820 0.848604 0.818343 Sr\n0.666667 0.333333 0.798659 Sr\n0.476713 0.995769 0.326056 Sr\n0.329772 0.329489 0.129558 P\n0.006598 0.841357 0.131593 P\n0.834722 0.494757 0.132045 P\n0.670511 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"elements": [
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"volume": 2111.193186491988,
"volume_molar": 7.567799131314096,
"formula_full": "Sr24 P48 N96",
"formula_reduced": "Sr(PN2)2",
"formula_anonymous": "AB2C4",
"energy": -1281.19915374,
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"updated_at": "2021-11-28T01:39:10.109000Z",
"spacegroup": 173
},
{
"id": "mp-645302",
"created_at": "2022-09-04T14:39:05.676173Z",
"structure_string": "Al112 Co40 Si16\n1.0\n7.366595 0.000000 0.000000\n0.000000 13.948032 0.000000\n0.000000 0.000000 23.170396\nAl Co Si\n112 40 16\ndirect\n0.491061 0.345542 0.840247 Al\n0.031338 0.038008 0.659619 Al\n0.273213 0.933378 0.581482 Al\n0.293275 0.392579 0.083064 Al\n0.968662 0.961992 0.159619 Al\n0.903975 0.763255 0.079233 Al\n0.991061 0.154458 0.159753 Al\n0.773213 0.566622 0.081482 Al\n0.187880 0.558860 0.151621 Al\n0.226787 0.433378 0.581482 Al\n0.687880 0.941140 0.848379 Al\n0.508939 0.654458 0.340247 Al\n0.773213 0.566622 0.418518 Al\n0.991061 0.154458 0.340247 Al\n0.812120 0.441140 0.651621 Al\n0.234034 0.694685 0.250000 Al\n0.910810 0.203394 0.475552 Al\n0.255207 0.711357 0.072059 Al\n0.589190 0.703394 0.475552 Al\n0.626068 0.964283 0.529982 Al\n0.744792 0.288643 0.927941 Al\n0.100962 0.618339 0.918942 Al\n0.206725 0.892579 0.416936 Al\n0.968662 0.961992 0.340381 Al\n0.261026 0.676931 0.688478 Al\n0.738974 0.323069 0.188478 Al\n0.187880 0.558860 0.348379 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Co\n0.383500 0.018962 0.667084 Co\n0.618063 0.705484 0.250000 Co\n0.901746 0.654333 0.997257 Co\n0.598254 0.154333 0.997257 Co\n0.900338 0.212451 0.837323 Co\n0.098254 0.345667 0.497257 Co\n0.881937 0.205484 0.250000 Co\n0.080332 0.060353 0.424091 Co\n0.381937 0.294516 0.750000 Co\n0.419668 0.560353 0.075909 Co\n0.080332 0.060353 0.075909 Co\n0.595846 0.453935 0.750000 Co\n0.616500 0.981038 0.332916 Co\n0.599662 0.712451 0.662677 Co\n0.095846 0.046065 0.250000 Co\n0.400338 0.287549 0.337323 Co\n0.919668 0.939647 0.575909 Co\n0.116500 0.518962 0.667084 Co\n0.883500 0.481038 0.167084 Co\n0.098254 0.345667 0.002743 Co\n0.116500 0.518962 0.832916 Co\n0.883500 0.481038 0.332916 Co\n0.599662 0.712451 0.837323 Co\n0.616500 0.981038 0.167084 Co\n0.419668 0.560353 0.424091 Co\n0.099662 0.787549 0.162677 Co\n0.404154 0.546065 0.250000 Co\n0.099662 0.787549 0.337323 Co\n0.118063 0.794516 0.750000 Co\n0.414279 0.562988 0.972099 Si\n0.414279 0.562988 0.527901 Si\n0.382538 0.375962 0.250000 Si\n0.786765 0.031321 0.250000 Si\n0.117462 0.875962 0.250000 Si\n0.286765 0.468679 0.750000 Si\n0.713235 0.531321 0.250000 Si\n0.085721 0.062988 0.972099 Si\n0.585721 0.437012 0.472099 Si\n0.617462 0.624038 0.750000 Si\n0.914279 0.937012 0.027901 Si\n0.585721 0.437012 0.027901 Si\n0.882538 0.124038 0.750000 Si\n0.213235 0.968679 0.750000 Si\n0.914279 0.937012 0.472099 Si\n0.085721 0.062988 0.527901 Si\n",
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"elements": [
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],
"chemical_system": "Al-Co-Si",
"density": 4.065390422018726,
"density_atomic": 0.07056609685727719,
"volume": 2380.7466684715023,
"volume_molar": 8.53404259014074,
"formula_full": "Al112 Co40 Si16",
"formula_reduced": "Al14Co5Si2",
"formula_anonymous": "A2B5C14",
"energy": -855.5935326,
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"updated_at": "2021-11-28T01:34:40.469000Z",
"spacegroup": 62
},
{
"id": "mp-650984",
"created_at": "2022-09-04T14:45:58.931408Z",
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"updated_at": "2021-11-28T01:37:15.325000Z",
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},
{
"id": "mp-1203355",
"created_at": "2022-09-04T14:45:59.706548Z",
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"updated_at": "2021-11-28T01:37:18.884000Z",
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},
{
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{
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{
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"updated_at": "2021-11-28T01:38:20.452000Z",
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{
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{
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"updated_at": "2021-11-28T01:36:15.862000Z",
"spacegroup": 14
},
{
"id": "mp-653973",
"created_at": "2022-09-04T14:40:32.411837Z",
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"updated_at": "2021-11-28T01:34:52.023000Z",
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}
]
}