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{
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"results": [
{
"id": "mp-1177171",
"created_at": "2022-09-04T14:40:41.878006Z",
"structure_string": "Li5 V3 Bi2 P6 O24\n1.0\n8.919522 -0.077758 -0.086613\n4.256122 -7.840075 -0.060281\n4.282561 -2.758115 -7.409740\nLi V Bi P O\n5 3 2 6 24\ndirect\n0.455477 0.191247 0.186633 Li\n0.282520 0.855489 0.640083 Li\n0.695615 0.150117 0.320337 Li\n0.682777 0.847172 0.152750 Li\n0.686397 0.311873 0.844611 Li\n0.055552 0.646395 0.651320 V\n0.452158 0.844496 0.850473 V\n0.947724 0.348518 0.347013 V\n0.018114 0.993512 0.006553 Bi\n0.498632 0.483245 0.498382 Bi\n0.255164 0.252772 0.545683 P\n0.256706 0.946096 0.251609 P\n0.256127 0.543593 0.945568 P\n0.757558 0.456352 0.039658 P\n0.774143 0.032069 0.744713 P\n0.742474 0.745018 0.463384 P\n0.083339 0.097077 0.297835 O\n0.088740 0.504005 0.096947 O\n0.096768 0.306966 0.490917 O\n0.247276 0.075445 0.723768 O\n0.242104 0.405077 0.597629 O\n0.441393 0.214635 0.401418 O\n0.262478 0.919439 0.088866 O\n0.254091 0.754684 0.417754 O\n0.259322 0.584238 0.748261 O\n0.581122 0.606247 0.022295 O\n0.774771 0.276464 0.029150 O\n0.609486 0.996350 0.777932 O\n0.430553 0.972230 0.214812 O\n0.245310 0.738871 0.917909 O\n0.435641 0.397432 0.964595 O\n0.750630 0.390580 0.243081 O\n0.755263 0.239290 0.613191 O\n0.778012 0.028212 0.920883 O\n0.554344 0.787922 0.605169 O\n0.745210 0.610480 0.394989 O\n0.767328 0.918695 0.286424 O\n0.897446 0.672012 0.535492 O\n0.926585 0.510288 0.897845 O\n0.955651 0.896398 0.673070 O\n",
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"formula_full": "Li5 V3 Bi2 P6 O24",
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"updated_at": "2021-11-28T01:35:05.418000Z",
"spacegroup": 1
},
{
"id": "mp-30108",
"created_at": "2022-09-04T14:40:42.030298Z",
"structure_string": "P4 Pb2 Au4\n1.0\n1.649906 -5.782846 0.000000\n1.649906 5.782846 0.000000\n0.000000 0.000000 11.381909\nP Pb Au\n4 2 4\ndirect\n0.798414 0.201586 0.543527 P\n0.201586 0.798414 0.043527 P\n0.201586 0.798414 0.456473 P\n0.798414 0.201586 0.956473 P\n0.522888 0.477112 0.750000 Pb\n0.477112 0.522888 0.250000 Pb\n0.000000 0.000000 0.000000 Au\n0.776110 0.223890 0.750000 Au\n0.000000 0.000000 0.500000 Au\n0.223890 0.776110 0.250000 Au\n",
"nsites": 10,
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"elements": [
"P",
"Pb",
"Au"
],
"chemical_system": "Au-P-Pb",
"density": 10.139102696611184,
"density_atomic": 0.04604198790537858,
"volume": 217.19305475148283,
"volume_molar": 13.079671478078163,
"formula_full": "P4 Pb2 Au4",
"formula_reduced": "P2PbAu2",
"formula_anonymous": "AB2C2",
"energy": -43.49969294,
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"updated_at": "2021-11-28T01:35:07.052000Z",
"spacegroup": 63
},
{
"id": "mp-26677",
"created_at": "2022-09-04T14:40:41.865068Z",
"structure_string": "Li6 Fe4 P6 O24\n1.0\n2.702619 4.075346 0.000000\n-2.702619 4.075346 0.000000\n0.000000 0.097241 18.888648\nLi Fe P O\n6 4 6 24\ndirect\n0.673060 0.673060 0.586239 Li\n0.672534 0.672534 0.253283 Li\n0.000370 0.000370 0.334035 Li\n0.326940 0.326940 0.413761 Li\n0.999630 0.999630 0.665965 Li\n0.327466 0.327466 0.746717 Li\n0.000938 0.000938 0.168123 Fe\n0.000000 0.000000 0.000000 Fe\n0.999062 0.999062 0.831877 Fe\n0.000000 0.000000 0.500000 Fe\n0.351313 0.351313 0.581748 P\n0.651447 0.651447 0.751631 P\n0.648687 0.648687 0.418252 P\n0.348553 0.348553 0.248369 P\n0.651747 0.651747 0.083444 P\n0.348253 0.348253 0.916556 P\n0.299750 0.762624 0.422568 O\n0.301744 0.763325 0.756812 O\n0.237376 0.700250 0.577432 O\n0.766295 0.766295 0.816036 O\n0.233705 0.233705 0.183964 O\n0.698256 0.236675 0.243188 O\n0.236388 0.236388 0.981751 O\n0.759952 0.759952 0.485031 O\n0.754486 0.754486 0.152111 O\n0.700250 0.237376 0.577432 O\n0.236675 0.698256 0.243188 O\n0.700011 0.224417 0.917418 O\n0.299989 0.775583 0.082582 O\n0.748452 0.748452 0.350639 O\n0.245514 0.245514 0.847889 O\n0.775583 0.299989 0.082582 O\n0.763325 0.301744 0.756812 O\n0.240048 0.240048 0.514969 O\n0.224417 0.700011 0.917418 O\n0.762624 0.299750 0.422568 O\n0.746088 0.746088 0.682548 O\n0.251548 0.251548 0.649361 O\n0.763612 0.763612 0.018249 O\n0.253912 0.253912 0.317452 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
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"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 3.3318047117754666,
"density_atomic": 0.09613461914197385,
"volume": 416.08320038098935,
"volume_molar": 6.2642790014140095,
"formula_full": "Li6 Fe4 P6 O24",
"formula_reduced": "Li3Fe2(PO4)3",
"formula_anonymous": "A2B3C3D12",
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"updated_at": "2021-11-28T01:35:11.319000Z",
"spacegroup": 12
},
{
"id": "mp-758983",
"created_at": "2022-09-04T14:40:41.927499Z",
"structure_string": "Li6 Fe3 Ni6 O18\n1.0\n6.568255 0.000000 0.000000\n0.885776 6.579330 0.000000\n2.796696 2.411618 7.457176\nLi Fe Ni O\n6 3 6 18\ndirect\n0.834909 0.490356 0.672495 Li\n0.165091 0.509644 0.327505 Li\n0.504606 0.151134 0.335458 Li\n0.827562 0.162487 0.001518 Li\n0.495394 0.848866 0.664542 Li\n0.172438 0.837513 0.998482 Li\n0.500000 0.500000 0.500000 Fe\n0.831871 0.505939 0.159634 Fe\n0.168129 0.494061 0.840366 Fe\n0.831379 0.837830 0.827326 Ni\n0.836457 0.166156 0.498061 Ni\n0.168621 0.162170 0.172674 Ni\n0.502612 0.166458 0.832540 Ni\n0.163543 0.833844 0.501939 Ni\n0.497388 0.833542 0.167460 Ni\n0.148765 0.818920 0.739391 O\n0.463875 0.822139 0.433449 O\n0.813946 0.831277 0.061149 O\n0.490473 0.476133 0.742919 O\n0.829987 0.466062 0.419221 O\n0.810856 0.165660 0.732432 O\n0.170013 0.533938 0.580779 O\n0.509527 0.523867 0.257081 O\n0.536125 0.177861 0.566551 O\n0.147996 0.505142 0.082263 O\n0.147294 0.141382 0.411894 O\n0.482923 0.132501 0.098485 O\n0.852004 0.494858 0.917737 O\n0.851235 0.181080 0.260609 O\n0.186054 0.168723 0.938851 O\n0.852706 0.858618 0.588106 O\n0.189144 0.834340 0.267568 O\n0.517077 0.867499 0.901515 O\n",
"nsites": 33,
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"elements": [
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"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Li-Ni-O",
"density": 4.376428127399876,
"density_atomic": 0.10240186627033032,
"volume": 322.2597517205733,
"volume_molar": 5.880889654981651,
"formula_full": "Li6 Fe3 Ni6 O18",
"formula_reduced": "Li2Fe(NiO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -208.07398869,
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"updated_at": "2021-11-28T01:35:06Z",
"spacegroup": 2
},
{
"id": "mp-864933",
"created_at": "2022-09-04T14:40:42.429701Z",
"structure_string": "Mg2 Ag1 Rh1\n1.0\n0.000000 3.215530 3.215530\n3.215530 0.000000 3.215530\n3.215530 3.215530 0.000000\nMg Ag Rh\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
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"Ag",
"Rh"
],
"chemical_system": "Ag-Mg-Rh",
"density": 6.4774502404953225,
"density_atomic": 0.06015507856143475,
"volume": 66.49480136435876,
"volume_molar": 10.011026340610213,
"formula_full": "Mg2 Ag1 Rh1",
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"formula_anonymous": "ABC2",
"energy": -14.91929251,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:07.563000Z",
"spacegroup": 225
},
{
"id": "mp-559375",
"created_at": "2022-09-04T14:40:42.442437Z",
"structure_string": "Cs4 K4 Te4 H24 S4 O40\n1.0\n6.708843 0.000000 0.000000\n0.000000 12.714746 0.000000\n0.000000 9.022151 12.398422\nCs K Te H S O\n4 4 4 24 4 40\ndirect\n0.979367 0.003583 0.727087 Cs\n0.476699 0.998774 0.501663 Cs\n0.523301 0.998774 0.001663 Cs\n0.020633 0.003583 0.227087 Cs\n0.959304 0.467291 0.521511 K\n0.040696 0.467291 0.021511 K\n0.462797 0.539082 0.711348 K\n0.537203 0.539082 0.211348 K\n0.493335 0.712643 0.881178 Te\n0.004451 0.290683 0.849755 Te\n0.995549 0.290683 0.349755 Te\n0.506665 0.712643 0.381178 Te\n0.491084 0.951562 0.794147 H\n0.453335 0.476010 0.454157 H\n0.015707 0.053339 0.932889 H\n0.255518 0.251262 0.987303 H\n0.812544 0.706636 0.972899 H\n0.744482 0.251262 0.487303 H\n0.728436 0.313279 0.227714 H\n0.225478 0.256653 0.495134 H\n0.187456 0.706636 0.472899 H\n0.311966 0.297509 0.255919 H\n0.508916 0.951562 0.294147 H\n0.051471 0.525574 0.279460 H\n0.948529 0.525574 0.779460 H\n0.715750 0.745845 0.733411 H\n0.284250 0.745845 0.233411 H\n0.774522 0.256653 0.995134 H\n0.768320 0.692284 0.504524 H\n0.688034 0.297509 0.755919 H\n0.231680 0.692284 0.004524 H\n0.546665 0.476010 0.954157 H\n0.765345 0.748943 0.248518 H\n0.271564 0.313279 0.727714 H\n0.984293 0.053339 0.432889 H\n0.234655 0.748943 0.748518 H\n0.002428 0.776497 0.094942 S\n0.997572 0.776497 0.594942 S\n0.501957 0.226216 0.636672 S\n0.498043 0.226216 0.136672 S\n0.985864 0.768180 0.501328 O\n0.947411 0.910519 0.558768 O\n0.052589 0.910519 0.058768 O\n0.655428 0.633550 0.515811 O\n0.014136 0.768180 0.001328 O\n0.767406 0.362168 0.758720 O\n0.006764 0.131978 0.356989 O\n0.634166 0.804112 0.743440 O\n0.344572 0.633550 0.015811 O\n0.547711 0.092928 0.170855 O\n0.232594 0.362168 0.258720 O\n0.162327 0.373602 0.717335 O\n0.709388 0.261116 0.593212 O\n0.486237 0.233037 0.730975 O\n0.988215 0.447637 0.345114 O\n0.452289 0.092928 0.670855 O\n0.237667 0.764041 0.805803 O\n0.510503 0.873248 0.870695 O\n0.642930 0.321369 0.050828 O\n0.850382 0.682044 0.679770 O\n0.148362 0.197884 0.484055 O\n0.746547 0.234318 0.431069 O\n0.851638 0.197884 0.984055 O\n0.011785 0.447637 0.845114 O\n0.203145 0.741102 0.640850 O\n0.762333 0.764041 0.305803 O\n0.253453 0.234318 0.931069 O\n0.837673 0.373602 0.217335 O\n0.480107 0.553470 0.889395 O\n0.263405 0.643399 0.466891 O\n0.290612 0.261116 0.093212 O\n0.365834 0.804112 0.243440 O\n0.513763 0.233037 0.230975 O\n0.993236 0.131978 0.856989 O\n0.357070 0.321369 0.550828 O\n0.519893 0.553470 0.389395 O\n0.149618 0.682044 0.179770 O\n0.736595 0.643399 0.966891 O\n0.796855 0.741102 0.140850 O\n0.489497 0.873248 0.370695 O\n",
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"S",
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],
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"density_atomic": 0.07564291478627842,
"volume": 1057.6007049177322,
"volume_molar": 7.96127539111226,
"formula_full": "Cs4 K4 Te4 H24 S4 O40",
"formula_reduced": "CsKTeH6SO10",
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"energy": -449.19302799,
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},
{
"id": "mp-1221046",
"created_at": "2022-09-04T14:40:42.461906Z",
"structure_string": "Na3 Pu3 F12\n1.0\n6.209694 0.000000 0.000000\n-3.094826 6.514535 0.000000\n-3.079247 -2.293907 6.136917\nNa Pu F\n3 3 12\ndirect\n0.802973 0.139404 0.491994 Na\n0.320764 0.657485 0.967330 Na\n0.208211 0.878458 0.541629 Na\n0.996405 0.993455 0.998664 Pu\n0.496868 0.500609 0.495807 Pu\n0.732569 0.394793 0.067286 Pu\n0.244329 0.653128 0.285819 F\n0.799789 0.198689 0.829536 F\n0.855933 0.491054 0.450330 F\n0.401088 0.024997 0.004076 F\n0.351246 0.323747 0.719431 F\n0.804895 0.762599 0.169884 F\n0.376477 0.124137 0.374573 F\n0.894979 0.620022 0.867453 F\n0.985459 0.228576 0.263361 F\n0.498845 0.751805 0.745096 F\n0.871316 0.877351 0.618947 F\n0.357855 0.379688 0.108785 F\n",
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"volume": 248.25835363203484,
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"formula_full": "Na3 Pu3 F12",
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},
{
"id": "mp-1018852",
"created_at": "2022-09-04T14:40:42.508713Z",
"structure_string": "Os2 N4\n1.0\n4.426138 0.000000 0.000000\n0.000000 4.426138 0.000000\n0.000000 0.000000 2.669357\nOs N\n2 4\ndirect\n0.500000 0.500000 0.000000 Os\n0.000000 0.000000 0.000000 Os\n0.887746 0.387746 0.500000 N\n0.112254 0.612254 0.500000 N\n0.387746 0.112254 0.500000 N\n0.612254 0.887746 0.500000 N\n",
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{
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