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{
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"results": [
{
"id": "mp-775001",
"created_at": "2022-09-04T14:48:12.197406Z",
"structure_string": "V3 Fe1 O8\n1.0\n5.479575 0.000000 0.000000\n0.024987 5.564457 0.000000\n0.022717 0.035480 7.360503\nV Fe O\n3 1 8\ndirect\n0.996131 0.071711 0.877960 V\n0.496534 0.427795 0.373958 V\n0.997379 0.574595 0.624217 V\n0.496936 0.927828 0.124961 Fe\n0.687311 0.031542 0.926498 O\n0.561591 0.127164 0.324574 O\n0.061090 0.370975 0.827097 O\n0.188261 0.467882 0.423707 O\n0.665081 0.522550 0.559651 O\n0.567738 0.606261 0.185134 O\n0.066973 0.897590 0.688380 O\n0.166577 0.974108 0.063865 O\n",
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"volume": 224.42806257041528,
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"formula_full": "V3 Fe1 O8",
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"spacegroup": 1
},
{
"id": "mp-1221589",
"created_at": "2022-09-04T14:48:13.840437Z",
"structure_string": "Mn1 V1 Te2\n1.0\n-2.102363 -3.635540 -0.000802\n-2.102363 3.635540 0.000802\n0.000000 -0.001204 -5.033299\nMn V Te\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 V\n0.666457 0.333543 0.739349 Te\n0.333543 0.666457 0.260651 Te\n",
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"formula_full": "Mn1 V1 Te2",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:46.419000Z",
"spacegroup": 164
},
{
"id": "mp-1409107",
"created_at": "2022-09-04T14:48:12.916154Z",
"structure_string": "Zn2 Cr4 O8\n1.0\n1.493141 7.205326 0.000000\n-1.493141 7.205326 0.000000\n0.000000 6.073146 7.273614\nZn Cr O\n2 4 8\ndirect\n0.667845 0.667845 0.315808 Zn\n0.332155 0.332155 0.684192 Zn\n0.364025 0.364025 0.957575 Cr\n0.853863 0.853863 0.313296 Cr\n0.146137 0.146137 0.686704 Cr\n0.635975 0.635975 0.042425 Cr\n0.138315 0.138315 0.902968 O\n0.537301 0.537301 0.750185 O\n0.462699 0.462699 0.249815 O\n0.861685 0.861685 0.097032 O\n0.831017 0.831017 0.837528 O\n0.211506 0.211506 0.420618 O\n0.168983 0.168983 0.162472 O\n0.788494 0.788494 0.579382 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 4.952711270129654,
"density_atomic": 0.0894526754030717,
"volume": 156.50733683387693,
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"formula_full": "Zn2 Cr4 O8",
"formula_reduced": "ZnCr2O4",
"formula_anonymous": "AB2C4",
"energy": -109.35411967,
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"updated_at": "2021-11-28T01:38:38.150000Z",
"spacegroup": 12
},
{
"id": "mp-772565",
"created_at": "2022-09-04T14:48:12.494654Z",
"structure_string": "Li4 Fe10 B6 O26\n1.0\n3.166696 0.000000 0.000000\n0.000000 9.620858 0.000000\n0.000000 4.598235 15.010811\nLi Fe B O\n4 10 6 26\ndirect\n0.250000 0.512925 0.760946 Li\n0.750000 0.433559 0.951302 Li\n0.250000 0.566441 0.048698 Li\n0.750000 0.487075 0.239054 Li\n0.250000 0.142741 0.000588 Fe\n0.250000 0.665676 0.374599 Fe\n0.750000 0.998807 0.194991 Fe\n0.750000 0.918493 0.437447 Fe\n0.750000 0.793753 0.689007 Fe\n0.250000 0.206247 0.310993 Fe\n0.250000 0.081507 0.562553 Fe\n0.250000 0.001193 0.805009 Fe\n0.750000 0.334324 0.625401 Fe\n0.750000 0.857259 0.999412 Fe\n0.750000 0.261365 0.818332 B\n0.250000 0.631639 0.574654 B\n0.750000 0.702215 0.880084 B\n0.250000 0.297785 0.119916 B\n0.750000 0.368361 0.425346 B\n0.250000 0.738635 0.181668 B\n0.750000 0.261430 0.907421 O\n0.250000 0.484284 0.583813 O\n0.750000 0.384443 0.747760 O\n0.250000 0.870800 0.201157 O\n0.750000 0.803136 0.351227 O\n0.250000 0.735640 0.492041 O\n0.250000 0.676806 0.651873 O\n0.750000 0.022595 0.058938 O\n0.750000 0.630763 0.816565 O\n0.750000 0.638827 0.971563 O\n0.250000 0.146274 0.143055 O\n0.750000 0.094534 0.289533 O\n0.750000 0.949129 0.567707 O\n0.250000 0.050871 0.432293 O\n0.250000 0.905466 0.710467 O\n0.750000 0.853726 0.856945 O\n0.250000 0.361173 0.028437 O\n0.250000 0.369237 0.183435 O\n0.250000 0.977405 0.941062 O\n0.750000 0.323194 0.348127 O\n0.750000 0.264360 0.507959 O\n0.250000 0.196864 0.648773 O\n0.750000 0.129200 0.798843 O\n0.250000 0.615557 0.252240 O\n0.750000 0.515716 0.416187 O\n0.250000 0.738570 0.092579 O\n",
"nsites": 46,
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"elements": [
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"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 3.874497575299962,
"density_atomic": 0.1005850640239451,
"volume": 457.32435969866583,
"volume_molar": 5.987112319743994,
"formula_full": "Li4 Fe10 B6 O26",
"formula_reduced": "Li2Fe5B3O13",
"formula_anonymous": "A2B3C5D13",
"energy": -357.49065613999994,
"energy_per_atom": -7.771536003043477,
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"updated_at": "2021-11-28T01:38:36.652000Z",
"spacegroup": 11
},
{
"id": "mp-1174187",
"created_at": "2022-09-04T14:48:12.512906Z",
"structure_string": "Li4 Mn3 Co1 O8\n1.0\n2.882931 0.000000 0.000000\n0.000000 5.382580 0.000000\n0.000000 0.856633 9.861373\nLi Mn Co O\n4 3 1 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.753155 0.751094 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.246845 0.248906 Li\n0.500000 0.234912 0.753677 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.765088 0.246323 Mn\n0.000000 0.000000 0.000000 Co\n0.500000 0.129824 0.113521 O\n0.000000 0.341140 0.871221 O\n0.500000 0.613858 0.614461 O\n0.000000 0.874496 0.361940 O\n0.500000 0.870176 0.886479 O\n0.000000 0.125504 0.638060 O\n0.500000 0.386142 0.385539 O\n0.000000 0.658860 0.128779 O\n",
"nsites": 16,
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"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.1181885139716,
"density_atomic": 0.10455814150411655,
"volume": 153.02490814997955,
"volume_molar": 5.7596096041578,
"formula_full": "Li4 Mn3 Co1 O8",
"formula_reduced": "Li4Mn3CoO8",
"formula_anonymous": "AB3C4D8",
"energy": -114.09348732,
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"updated_at": "2021-11-28T01:38:43.381000Z",
"spacegroup": 10
},
{
"id": "mp-771269",
"created_at": "2022-09-04T14:48:11.773667Z",
"structure_string": "Na6 Cr2 Si2 B2 O14\n1.0\n0.089609 -0.000010 5.322406\n8.956828 0.000013 0.180144\n0.000010 6.483333 -0.000013\nNa Cr Si B O\n6 2 2 2 14\ndirect\n0.762868 0.079662 0.250005 Na\n0.237639 0.920125 0.750002 Na\n0.257010 0.260866 0.008462 Na\n0.257011 0.260865 0.491544 Na\n0.742799 0.739057 0.508481 Na\n0.742795 0.739059 0.991527 Na\n0.212102 0.666831 0.249991 Cr\n0.787690 0.333140 0.750016 Cr\n0.717271 0.428357 0.250006 Si\n0.281926 0.571810 0.749993 Si\n0.729181 0.066617 0.749998 B\n0.272171 0.933177 0.250003 B\n0.313072 0.079654 0.250005 O\n0.686092 0.920510 0.750005 O\n0.965135 0.131615 0.749992 O\n0.036305 0.867444 0.249998 O\n0.537107 0.181437 0.750002 O\n0.464336 0.819186 0.249999 O\n0.416440 0.476618 0.249995 O\n0.582607 0.523849 0.749995 O\n0.106381 0.425609 0.749996 O\n0.891799 0.574609 0.249997 O\n0.784128 0.319419 0.049915 O\n0.784124 0.319421 0.450082 O\n0.216003 0.680531 0.549726 O\n0.216006 0.680531 0.950267 O\n",
"nsites": 26,
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"elements": [
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"Cr",
"Si",
"B",
"O"
],
"chemical_system": "B-Cr-Na-O-Si",
"density": 2.9221820280849986,
"density_atomic": 0.08415111397423096,
"volume": 308.9679835725265,
"volume_molar": 7.15634110541201,
"formula_full": "Na6 Cr2 Si2 B2 O14",
"formula_reduced": "Na3CrSiBO7",
"formula_anonymous": "ABCD3E7",
"energy": -185.78912441,
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"updated_at": "2021-11-28T01:38:37.788000Z",
"spacegroup": 11
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{
"id": "mp-27840",
"created_at": "2022-09-04T14:48:12.532758Z",
"structure_string": "Cr3 Se4\n1.0\n1.839794 6.669815 0.000000\n-1.839794 6.669815 0.000000\n0.000000 2.940648 5.723338\nCr Se\n3 4\ndirect\n0.500000 0.500000 0.500000 Cr\n0.761685 0.761685 0.217740 Cr\n0.238315 0.238315 0.782260 Cr\n0.134260 0.134260 0.522731 Se\n0.865740 0.865740 0.477269 Se\n0.622803 0.622803 0.048954 Se\n0.377197 0.377197 0.951046 Se\n",
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"volume": 140.4631412387649,
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"formula_full": "Cr3 Se4",
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"energy": -48.30986391,
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"spacegroup": 12
},
{
"id": "mp-1221598",
"created_at": "2022-09-04T14:48:12.533839Z",
"structure_string": "Mn2 Te2 Pb4 O12\n1.0\n-4.097399 4.097402 -0.000002\n-4.097394 -4.097398 0.000003\n-0.000002 -0.000005 8.189524\nMn Te Pb O\n2 2 4 12\ndirect\n0.999990 0.500001 0.249993 Mn\n0.500009 0.000000 0.749993 Mn\n0.500000 0.000000 0.250001 Te\n0.999999 0.500000 0.750000 Te\n0.000004 0.000001 0.999998 Pb\n0.500000 0.500000 0.500003 Pb\n0.000001 0.999998 0.500003 Pb\n0.500000 0.500001 0.000001 Pb\n0.499999 0.000000 0.488517 O\n0.000000 0.500000 0.988519 O\n0.500000 0.000000 0.011484 O\n0.000000 0.500000 0.511482 O\n0.738442 0.761558 0.250001 O\n0.238438 0.261561 0.750001 O\n0.261557 0.238442 0.250000 O\n0.761561 0.738439 0.750001 O\n0.261557 0.761558 0.250001 O\n0.761561 0.261561 0.750001 O\n0.738442 0.238442 0.250000 O\n0.238438 0.738439 0.750001 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 8.368858644854168,
"density_atomic": 0.07273190868332613,
"volume": 274.98247140852254,
"volume_molar": 8.279915746773991,
"formula_full": "Mn2 Te2 Pb4 O12",
"formula_reduced": "MnTe(PbO3)2",
"formula_anonymous": "ABC2D6",
"energy": -131.73703398,
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"spacegroup": 225
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{
"id": "mp-615537",
"created_at": "2022-09-04T14:48:12.538563Z",
"structure_string": "Pd8 C16 Cl8 O16\n1.0\n-7.475472 7.475472 4.888752\n7.475472 -7.475472 4.888752\n7.475472 7.475472 -4.888752\nPd C Cl O\n8 16 8 16\ndirect\n0.772845 0.398796 0.080669 Pd\n0.942177 0.068127 0.419331 Pd\n0.477155 0.057823 0.125950 Pd\n0.601204 0.681873 0.374050 Pd\n0.307823 0.227155 0.625950 Pd\n0.931873 0.351204 0.874050 Pd\n0.648796 0.522845 0.580669 Pd\n0.318127 0.692177 0.919331 Pd\n0.259890 0.255927 0.775739 C\n0.480188 0.484151 0.224261 C\n0.505927 0.009890 0.275739 C\n0.019253 0.113235 0.280489 C\n0.769812 0.494073 0.503963 C\n0.734151 0.230188 0.724261 C\n0.886765 0.167254 0.906018 C\n0.990110 0.265849 0.496037 C\n0.515849 0.740110 0.996037 C\n0.744073 0.519812 0.003963 C\n0.363235 0.769253 0.780489 C\n0.261236 0.980747 0.093982 C\n0.832746 0.738764 0.719511 C\n0.417254 0.636765 0.406018 C\n0.988764 0.582746 0.219511 C\n0.230747 0.011236 0.593982 C\n0.203059 0.548575 0.067579 Cl\n0.480995 0.135480 0.932421 Cl\n0.046941 0.614520 0.845516 Cl\n0.798575 0.953059 0.567579 Cl\n0.864520 0.796941 0.345516 Cl\n0.385480 0.230995 0.432421 Cl\n0.451425 0.519005 0.654484 Cl\n0.769005 0.201425 0.154484 Cl\n0.745814 0.607773 0.970652 O\n0.392226 0.362879 0.138041 O\n0.612879 0.142227 0.638041 O\n0.224838 0.254186 0.861959 O\n0.072857 0.171142 0.210932 O\n0.025162 0.387121 0.529348 O\n0.857773 0.495814 0.470652 O\n0.111925 0.710210 0.289068 O\n0.421142 0.822857 0.710932 O\n0.828858 0.039790 0.901715 O\n0.289790 0.578858 0.401715 O\n0.138075 0.927143 0.098285 O\n0.177143 0.888075 0.598285 O\n0.637121 0.775162 0.029348 O\n0.504186 0.974838 0.361959 O\n0.960210 0.861925 0.789068 O\n",
"nsites": 48,
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"elements": [
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"density": 2.405662616859383,
"density_atomic": 0.04392441651801165,
"volume": 1092.786286194994,
"volume_molar": 13.710235075133125,
"formula_full": "Pd8 C16 Cl8 O16",
"formula_reduced": "PdC2ClO2",
"formula_anonymous": "ABC2D2",
"energy": -319.80197984,
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"spacegroup": 122
},
{
"id": "mp-1273740",
"created_at": "2022-09-04T14:48:12.539203Z",
"structure_string": "Li4 Fe2 W2 O12\n1.0\n0.001673 2.843500 -4.195679\n-0.598372 -6.205077 -4.332571\n-5.388236 0.001103 0.002917\nLi Fe W O\n4 2 2 12\ndirect\n0.998495 0.286734 0.581508 Li\n0.498495 0.786734 0.081497 Li\n0.499713 0.286316 0.073015 Li\n0.999691 0.786328 0.573040 Li\n0.501309 0.504663 0.504338 Fe\n0.001301 0.004640 0.004282 Fe\n0.501492 0.002935 0.505037 W\n0.001468 0.502925 0.005016 W\n0.198508 0.927935 0.295863 O\n0.698479 0.427914 0.795838 O\n0.182354 0.552093 0.676911 O\n0.682345 0.052130 0.176907 O\n0.115809 0.255642 0.980576 O\n0.615837 0.755648 0.480570 O\n0.374569 0.237855 0.479117 O\n0.874582 0.737873 0.979120 O\n0.308300 0.931409 0.800249 O\n0.808280 0.431411 0.300212 O\n0.319500 0.549992 0.174658 O\n0.819473 0.050017 0.674640 O\n",
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"elements": [
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],
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{
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}