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{
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"results": [
{
"id": "mp-1216972",
"created_at": "2022-09-04T14:44:19.410721Z",
"structure_string": "Ti2 Cr2 Cu2 S8\n1.0\n-3.484042 3.559384 4.967008\n3.484042 -3.559384 4.967008\n3.484042 3.559384 -4.967008\nTi Cr Cu S\n2 2 2 8\ndirect\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.624467 0.874467 0.750000 Cu\n0.375533 0.125533 0.250000 Cu\n0.232705 0.742910 0.489795 S\n0.753115 0.742910 0.010205 S\n0.755569 0.738604 0.483035 S\n0.755569 0.272533 0.016965 S\n0.767295 0.257090 0.510205 S\n0.246885 0.257090 0.989795 S\n0.244431 0.261396 0.516965 S\n0.244431 0.727467 0.983035 S\n",
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"S"
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"density": 3.9314833269588547,
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"volume": 246.3843261137303,
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"formula_full": "Ti2 Cr2 Cu2 S8",
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{
"id": "mp-1174838",
"created_at": "2022-09-04T14:44:19.418960Z",
"structure_string": "Li14 Mn4 Co6 O24\n1.0\n-5.781327 0.089539 0.490890\n0.152428 -7.378406 6.419153\n3.212198 7.604498 3.099875\nLi Mn Co O\n14 4 6 24\ndirect\n0.917975 0.666861 0.835554 Li\n0.415339 0.666496 0.831128 Li\n0.666611 0.166679 0.833331 Li\n0.166618 0.166683 0.833333 Li\n0.417075 0.166670 0.333376 Li\n0.916236 0.166700 0.333341 Li\n0.594621 0.333329 0.193291 Li\n0.095189 0.330460 0.191777 Li\n0.238153 0.002859 0.474911 Li\n0.738714 0.999971 0.473371 Li\n0.846194 0.841407 0.170353 Li\n0.345251 0.840690 0.170545 Li\n0.988106 0.492669 0.496160 Li\n0.487174 0.491956 0.496351 Li\n0.012263 0.003176 0.013038 Mn\n0.512219 0.003381 0.012886 Mn\n0.821117 0.329939 0.653771 Mn\n0.321072 0.330135 0.653598 Mn\n0.166690 0.666656 0.333335 Co\n0.743256 0.496235 0.001041 Co\n0.242463 0.495438 0.000522 Co\n0.090886 0.837897 0.666124 Co\n0.590086 0.837099 0.665623 Co\n0.666684 0.666665 0.333341 Co\n0.786340 0.148819 0.074752 O\n0.286071 0.148657 0.074663 O\n0.546967 0.184492 0.591875 O\n0.047244 0.184660 0.591968 O\n0.544525 0.650987 0.086369 O\n0.040425 0.651143 0.076657 O\n0.292910 0.682177 0.590010 O\n0.788826 0.682348 0.580314 O\n0.215153 0.336420 0.438093 O\n0.715568 0.336648 0.438601 O\n0.118179 0.996944 0.228559 O\n0.617774 0.996730 0.228087 O\n0.969144 0.824693 0.414388 O\n0.469744 0.822342 0.414116 O\n0.863619 0.510997 0.252571 O\n0.364210 0.508636 0.252284 O\n0.608963 0.482616 0.744241 O\n0.109196 0.482656 0.744173 O\n0.724372 0.850700 0.922418 O\n0.224148 0.850656 0.922482 O\n0.895845 0.992167 0.762452 O\n0.395409 0.992720 0.762390 O\n0.937903 0.340597 0.904251 O\n0.437472 0.341146 0.904183 O\n",
"nsites": 48,
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"elements": [
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"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.086947125237404,
"density_atomic": 0.11203147791091186,
"volume": 428.4510112253442,
"volume_molar": 5.375400621590339,
"formula_full": "Li14 Mn4 Co6 O24",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -314.7608595,
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"updated_at": "2021-11-28T01:36:21.514000Z",
"spacegroup": 2
},
{
"id": "mp-1043430",
"created_at": "2022-09-04T14:44:19.454330Z",
"structure_string": "Ca2 Cr8 O12\n1.0\n1.552200 -5.174823 0.000000\n1.552200 5.174823 0.000000\n0.000000 0.000000 15.144402\nCa Cr O\n2 8 12\ndirect\n0.336825 0.663175 0.750000 Ca\n0.663175 0.336825 0.250000 Ca\n0.136859 0.863141 0.043252 Cr\n0.589425 0.410575 0.633068 Cr\n0.863141 0.136859 0.956748 Cr\n0.410575 0.589425 0.366932 Cr\n0.136859 0.863141 0.456748 Cr\n0.863141 0.136859 0.543251 Cr\n0.410575 0.589425 0.133068 Cr\n0.589425 0.410575 0.866932 Cr\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.962964 0.037036 0.843024 O\n0.037036 0.962964 0.156976 O\n0.037036 0.962964 0.343024 O\n0.962964 0.037036 0.656976 O\n0.211301 0.788699 0.914403 O\n0.788699 0.211301 0.085597 O\n0.788699 0.211301 0.414403 O\n0.211301 0.788699 0.585597 O\n0.673949 0.326051 0.750000 O\n0.326051 0.673949 0.250000 O\n",
"nsites": 22,
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"elements": [
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"Cr",
"O"
],
"chemical_system": "Ca-Cr-O",
"density": 4.696631209303563,
"density_atomic": 0.09042684469924987,
"volume": 243.29058559070234,
"volume_molar": 6.659682509136532,
"formula_full": "Ca2 Cr8 O12",
"formula_reduced": "CaCr4O6",
"formula_anonymous": "AB4C6",
"energy": -191.54715018,
"energy_per_atom": -8.706688644545453,
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"updated_at": "2021-11-28T01:36:42.637000Z",
"spacegroup": 63
},
{
"id": "mp-510449",
"created_at": "2022-09-04T14:44:19.357805Z",
"structure_string": "Co2 H40 S4 N4 O28\n1.0\n12.634878 0.000000 0.000000\n0.000000 6.310828 0.000000\n0.000000 2.803248 8.845829\nCo H S N O\n2 40 4 4 28\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.145343 0.323827 0.972722 H\n0.645343 0.676173 0.527278 H\n0.854657 0.676173 0.027278 H\n0.354657 0.323827 0.472722 H\n0.059770 0.339584 0.093491 H\n0.559770 0.660416 0.406509 H\n0.940230 0.660416 0.906509 H\n0.440230 0.339584 0.593491 H\n0.092953 0.675662 0.216900 H\n0.592953 0.324338 0.283100 H\n0.907047 0.324338 0.783100 H\n0.407047 0.675662 0.716900 H\n0.124982 0.904062 0.248629 H\n0.624982 0.095938 0.251371 H\n0.875018 0.095938 0.751371 H\n0.375018 0.904062 0.748629 H\n0.814600 0.005519 0.139230 H\n0.314600 0.994481 0.360770 H\n0.185400 0.994481 0.860770 H\n0.685400 0.005519 0.639230 H\n0.901164 0.946994 0.268630 H\n0.401164 0.053006 0.231370 H\n0.098836 0.053006 0.731370 H\n0.598836 0.946994 0.768630 H\n0.337449 0.529062 0.073152 H\n0.837449 0.470938 0.426848 H\n0.662551 0.470938 0.926848 H\n0.162551 0.529062 0.573152 H\n0.298992 0.597997 0.226552 H\n0.798992 0.402003 0.273448 H\n0.701008 0.402003 0.773448 H\n0.201008 0.597997 0.726552 H\n0.334069 0.798104 0.062498 H\n0.834069 0.201896 0.437502 H\n0.665931 0.201896 0.937502 H\n0.165931 0.798104 0.562498 H\n0.427974 0.631100 0.170559 H\n0.927974 0.368900 0.329441 H\n0.572026 0.368900 0.829441 H\n0.072026 0.631100 0.670559 H\n0.637379 0.741296 0.092808 S\n0.137379 0.258704 0.407192 S\n0.362621 0.258704 0.907192 S\n0.862621 0.741296 0.592808 S\n0.349359 0.639626 0.134190 N\n0.849359 0.360374 0.365810 N\n0.650641 0.360374 0.865810 N\n0.150641 0.639626 0.634190 N\n0.068909 0.301960 0.998172 O\n0.568909 0.698040 0.501828 O\n0.931091 0.698040 0.001828 O\n0.431091 0.301960 0.498172 O\n0.111010 0.834256 0.168493 O\n0.611010 0.165744 0.331507 O\n0.888990 0.165744 0.831507 O\n0.388990 0.834256 0.668493 O\n0.888423 0.037756 0.161908 O\n0.388423 0.962244 0.338092 O\n0.111577 0.962244 0.838092 O\n0.611577 0.037756 0.661908 O\n0.729111 0.591393 0.089587 O\n0.229111 0.408607 0.410413 O\n0.270889 0.408607 0.910413 O\n0.770889 0.591393 0.589587 O\n0.577136 0.788500 0.950073 O\n0.077136 0.211500 0.549927 O\n0.422864 0.211500 0.049927 O\n0.922864 0.788500 0.450073 O\n0.566894 0.621075 0.222354 O\n0.066894 0.378925 0.277646 O\n0.433106 0.378925 0.777646 O\n0.933106 0.621075 0.722354 O\n0.677280 0.952763 0.116146 O\n0.177280 0.047237 0.383854 O\n0.322720 0.047237 0.883854 O\n0.822720 0.952763 0.616146 O\n",
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"elements": [
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"H",
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"N",
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],
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"density": 1.860928800249086,
"density_atomic": 0.1105856223583915,
"volume": 705.3358143359146,
"volume_molar": 5.445681483333467,
"formula_full": "Co2 H40 S4 N4 O28",
"formula_reduced": "CoH20S2(NO7)2",
"formula_anonymous": "AB2C2D14E20",
"energy": -436.83210019,
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"updated_at": "2021-11-28T01:36:37.759000Z",
"spacegroup": 14
},
{
"id": "mp-1207221",
"created_at": "2022-09-04T14:44:19.360346Z",
"structure_string": "In4 Sb2\n1.0\n2.689952 -4.659134 0.000000\n2.689952 4.659134 0.000000\n0.000000 0.000000 6.722552\nIn Sb\n4 2\ndirect\n0.333333 0.666667 0.750000 In\n0.666667 0.333333 0.250000 In\n0.000000 0.000000 0.000000 In\n0.000000 0.000000 0.500000 In\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n",
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],
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"density": 6.9256734283886985,
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"volume": 168.5054289320512,
"volume_molar": 16.91272353088315,
"formula_full": "In4 Sb2",
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"energy": -19.56904767,
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"updated_at": "2021-11-28T01:36:38.260000Z",
"spacegroup": 194
},
{
"id": "mp-1287666",
"created_at": "2022-09-04T14:44:19.366003Z",
"structure_string": "Co4 Te1 O8\n1.0\n-1.875242 2.565318 5.094426\n3.464880 4.197381 2.371220\n0.148943 3.243886 -5.131574\nCo Te O\n4 1 8\ndirect\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Te\n0.450020 0.788796 0.709023 O\n0.549980 0.211204 0.290977 O\n0.938264 0.814166 0.248164 O\n0.061736 0.185834 0.751836 O\n0.951626 0.765656 0.733805 O\n0.495001 0.789325 0.254691 O\n0.048374 0.234344 0.266195 O\n0.504999 0.210675 0.745309 O\n",
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"volume": 155.40837355113518,
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"formula_full": "Co4 Te1 O8",
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"updated_at": "2021-11-28T01:36:39.478000Z",
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{
"id": "mp-1178420",
"created_at": "2022-09-04T14:44:19.368497Z",
"structure_string": "Co4 Pb4 O12\n1.0\n2.526812 -4.910113 0.004549\n5.772693 -0.128818 -0.081732\n-2.516907 -1.307473 9.121948\nCo Pb O\n4 4 12\ndirect\n0.968383 0.063343 0.677505 Co\n0.531577 0.936693 0.822517 Co\n0.468490 0.063095 0.177412 Co\n0.031479 0.936840 0.322557 Co\n0.792107 0.415522 0.069375 Pb\n0.292289 0.415492 0.569187 Pb\n0.707761 0.584561 0.430745 Pb\n0.207892 0.584397 0.930671 Pb\n0.037451 0.240850 0.228573 O\n0.537462 0.240705 0.728446 O\n0.583080 0.240943 0.367047 O\n0.082997 0.240893 0.867116 O\n0.518827 0.240248 0.025190 O\n0.019015 0.240262 0.525137 O\n0.981127 0.759766 0.474809 O\n0.481041 0.759694 0.974845 O\n0.916920 0.759171 0.132935 O\n0.416965 0.759092 0.632923 O\n0.462595 0.759240 0.271481 O\n0.962543 0.759195 0.771531 O\n",
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"formula_full": "Co4 Pb4 O12",
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{
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}