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{
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"results": [
{
"id": "mp-1234587",
"created_at": "2022-09-04T14:42:07.711608Z",
"structure_string": "Mg1 V3 Co1 Sn2 P6 O24\n1.0\n9.173919 0.405671 0.433378\n4.206630 -7.364670 0.018948\n4.100082 -2.509629 -6.952308\nMg V Co Sn P O\n1 3 1 2 6 24\ndirect\n0.203950 0.253673 0.922002 Mg\n0.056034 0.658490 0.641331 V\n0.458238 0.846892 0.843518 V\n0.957229 0.358794 0.346451 V\n0.519567 0.155555 0.169081 Co\n0.920669 0.013012 0.024079 Sn\n0.554746 0.485220 0.464267 Sn\n0.255893 0.250641 0.543013 P\n0.254700 0.957993 0.256420 P\n0.239221 0.545657 0.967002 P\n0.769162 0.454753 0.029909 P\n0.742314 0.045508 0.740058 P\n0.746459 0.745889 0.468603 P\n0.103119 0.148133 0.239637 O\n0.071626 0.545761 0.125644 O\n0.088578 0.290141 0.509212 O\n0.283653 0.056695 0.709788 O\n0.405198 0.273284 0.366450 O\n0.222830 0.395492 0.632370 O\n0.306569 0.964551 0.050795 O\n0.195838 0.779999 0.400030 O\n0.633580 0.647193 0.985843 O\n0.190811 0.629174 0.774971 O\n0.728781 0.297490 0.025445 O\n0.580051 0.043160 0.732943 O\n0.401294 0.951483 0.301955 O\n0.323146 0.666591 0.959132 O\n0.776824 0.393942 0.235992 O\n0.354588 0.337816 0.980695 O\n0.768823 0.243139 0.591883 O\n0.719233 0.031277 0.941785 O\n0.766856 0.597815 0.396735 O\n0.589078 0.751339 0.631826 O\n0.737055 0.942947 0.301393 O\n0.911026 0.675825 0.528966 O\n0.952725 0.456494 0.899912 O\n0.903393 0.889439 0.690556 O\n",
"nsites": 37,
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"elements": [
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],
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"formula_full": "Mg1 V3 Co1 Sn2 P6 O24",
"formula_reduced": "MgV3CoSn2(PO4)6",
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"updated_at": "2021-11-28T01:35:41.541000Z",
"spacegroup": 1
},
{
"id": "mp-1184690",
"created_at": "2022-09-04T14:42:07.046697Z",
"structure_string": "Ho2 Mg1 Ru1\n1.0\n0.000000 3.538257 3.538257\n3.538257 0.000000 3.538257\n3.538257 3.538257 0.000000\nHo Mg Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750000 0.750000 0.750000 Ho\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
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"elements": [
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"Mg",
"Ru"
],
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"density": 8.53271486969234,
"density_atomic": 0.04515042805347135,
"volume": 88.59273704477013,
"volume_molar": 13.337948319931806,
"formula_full": "Ho2 Mg1 Ru1",
"formula_reduced": "Ho2MgRu",
"formula_anonymous": "ABC2",
"energy": -20.89588222,
"energy_per_atom": -5.223970555,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:35.680000Z",
"spacegroup": 225
},
{
"id": "mp-1217784",
"created_at": "2022-09-04T14:42:08.271221Z",
"structure_string": "Sr2 Y2 Al6 O14\n1.0\n5.494687 -5.615401 0.000000\n5.494687 5.615401 0.000000\n0.000000 0.000000 5.177755\nSr Y Al O\n2 2 6 14\ndirect\n0.162291 0.837709 0.490610 Sr\n0.837709 0.162291 0.490610 Sr\n0.660092 0.660092 0.519127 Y\n0.339908 0.339908 0.519127 Y\n0.361403 0.638597 0.042157 Al\n0.850848 0.850848 0.960712 Al\n0.638597 0.361403 0.042157 Al\n0.149152 0.149152 0.960712 Al\n0.500000 0.000000 0.992500 Al\n0.000000 0.500000 0.992500 Al\n0.000000 0.000000 0.844123 O\n0.500000 0.500000 0.208975 O\n0.417565 0.834621 0.188167 O\n0.902150 0.657547 0.795769 O\n0.582435 0.165379 0.188167 O\n0.097850 0.342453 0.795769 O\n0.342453 0.097850 0.795769 O\n0.834621 0.417565 0.188167 O\n0.657547 0.902150 0.795769 O\n0.165379 0.582435 0.188167 O\n0.375429 0.624571 0.703896 O\n0.838621 0.838621 0.296578 O\n0.624571 0.375429 0.703896 O\n0.161379 0.161379 0.296578 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Al-O-Sr-Y",
"density": 3.840242579718136,
"density_atomic": 0.07511315705814078,
"volume": 319.5179238894589,
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"formula_full": "Sr2 Y2 Al6 O14",
"formula_reduced": "SrYAl3O7",
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"updated_at": "2021-11-28T01:35:31.166000Z",
"spacegroup": 35
},
{
"id": "mp-1205873",
"created_at": "2022-09-04T14:42:08.274408Z",
"structure_string": "Mg2 Hg6\n1.0\n2.540731 -4.400675 0.000000\n2.540731 4.400675 0.000000\n0.000000 0.000000 9.066713\nMg Hg\n2 6\ndirect\n0.333333 0.666667 0.250000 Mg\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666667 0.573997 Hg\n0.666667 0.333333 0.426003 Hg\n0.666667 0.333333 0.073997 Hg\n0.333333 0.666667 0.926003 Hg\n0.000000 0.000000 0.250000 Hg\n0.000000 0.000000 0.750000 Hg\n",
"nsites": 8,
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"elements": [
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"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.255282028775238,
"density_atomic": 0.03945773393419342,
"volume": 202.74859203374913,
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"formula_full": "Mg2 Hg6",
"formula_reduced": "MgHg3",
"formula_anonymous": "AB3",
"energy": -5.65540184,
"energy_per_atom": -0.70692523,
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"band_gap": 0.0,
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"total_magnetization": 7.29e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.202000Z",
"spacegroup": 194
},
{
"id": "mp-752531",
"created_at": "2022-09-04T14:42:07.520578Z",
"structure_string": "Li2 Ni4 O8\n1.0\n-2.829845 2.870480 4.097128\n2.829845 -2.870480 4.097128\n2.829845 2.870480 -4.097128\nLi Ni O\n2 4 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.227389 0.209879 0.482490 O\n0.227389 0.744899 0.017510 O\n0.785572 0.250232 0.535340 O\n0.214892 0.250232 0.964660 O\n0.785108 0.749768 0.035340 O\n0.214428 0.749768 0.464660 O\n0.772611 0.255101 0.982490 O\n0.772611 0.790121 0.517510 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 4.698197771208803,
"density_atomic": 0.10516502720514945,
"volume": 133.1241038210323,
"volume_molar": 5.7263720839936445,
"formula_full": "Li2 Ni4 O8",
"formula_reduced": "Li(NiO2)2",
"formula_anonymous": "AB2C4",
"energy": -82.94429914,
"energy_per_atom": -5.924592795714285,
"energy_above_hull": null,
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"energy_uncorrected": -67.28429914,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.938000Z",
"spacegroup": 74
},
{
"id": "mp-1377379",
"created_at": "2022-09-04T14:42:08.284682Z",
"structure_string": "Mn4 Zn4 O8\n1.0\n-3.140402 0.000000 0.000000\n1.255339 8.111407 0.000000\n-0.188200 -2.477663 -7.888327\nMn Zn O\n4 4 8\ndirect\n0.259638 0.089805 0.455413 Mn\n0.894562 0.467022 0.774370 Mn\n0.260389 0.515225 0.126627 Mn\n0.651241 0.764421 0.530913 Mn\n0.192711 0.100826 0.842400 Zn\n0.560854 0.834722 0.049288 Zn\n0.678282 0.202353 0.199014 Zn\n0.219290 0.415921 0.437716 Zn\n0.116575 0.622133 0.367929 O\n0.660252 0.044251 0.967825 O\n0.517557 0.568544 0.658274 O\n0.849235 0.262667 0.567713 O\n0.706079 0.989645 0.290526 O\n0.281242 0.357575 0.889179 O\n0.200506 0.935064 0.614087 O\n0.983311 0.669162 0.003108 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"O"
],
"chemical_system": "Mn-O-Zn",
"density": 5.0358566483705305,
"density_atomic": 0.07962576883970651,
"volume": 200.93997499991957,
"volume_molar": 7.563055086002479,
"formula_full": "Mn4 Zn4 O8",
"formula_reduced": "MnZnO2",
"formula_anonymous": "ABC2",
"energy": -107.78720393,
"energy_per_atom": -6.736700245625,
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"updated_at": "2021-11-28T01:35:41.969000Z",
"spacegroup": 1
},
{
"id": "mp-1212393",
"created_at": "2022-09-04T14:42:08.286171Z",
"structure_string": "Ho4 Cu2 Ge4 O16\n1.0\n7.516436 4.794020 0.000000\n-7.516436 4.794020 0.000000\n0.000000 2.693536 4.379265\nHo Cu Ge O\n4 2 4 16\ndirect\n0.300287 0.540269 0.814259 Ho\n0.540269 0.300287 0.814259 Ho\n0.044183 0.802894 0.321440 Ho\n0.802894 0.044183 0.321440 Ho\n0.924896 0.339111 0.623050 Cu\n0.339111 0.924896 0.623050 Cu\n0.162900 0.162900 0.624674 Ge\n0.888712 0.467516 0.082167 Ge\n0.467516 0.888712 0.082167 Ge\n0.666486 0.666486 0.021173 Ge\n0.096026 0.627518 0.075343 O\n0.627518 0.096026 0.075343 O\n0.063733 0.251443 0.415446 O\n0.251443 0.063733 0.415446 O\n0.491553 0.491553 0.987667 O\n0.745233 0.262648 0.450999 O\n0.262648 0.745233 0.450999 O\n0.757330 0.573119 0.246764 O\n0.573119 0.757330 0.246764 O\n0.337640 0.337640 0.663613 O\n0.836764 0.836764 0.642250 O\n0.838668 0.499549 0.756703 O\n0.499549 0.838668 0.756703 O\n0.995920 0.995920 0.013545 O\n0.004366 0.345637 0.929768 O\n0.345637 0.004366 0.929768 O\n",
"nsites": 26,
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"Ge",
"O"
],
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"density": 7.015436390117056,
"density_atomic": 0.08238161861934701,
"volume": 315.6043840329935,
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"formula_full": "Ho4 Cu2 Ge4 O16",
"formula_reduced": "Ho2Cu(GeO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -194.813515,
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"updated_at": "2021-11-28T01:35:43.434000Z",
"spacegroup": 8
},
{
"id": "mp-1235698",
"created_at": "2022-09-04T14:42:08.302561Z",
"structure_string": "Li1 O8\n1.0\n4.263617 -0.039126 1.654335\n1.548861 5.106355 1.946374\n0.053763 0.033700 5.679628\nLi O\n1 8\ndirect\n0.009182 0.605267 0.605267 Li\n0.848359 0.276626 0.798996 O\n0.160800 0.211397 0.740169 O\n0.160800 0.740169 0.211397 O\n0.848359 0.798996 0.276626 O\n0.829867 0.201236 0.201236 O\n0.174992 0.783228 0.783228 O\n0.131125 0.142440 0.142440 O\n0.864294 0.847783 0.847783 O\n",
"nsites": 9,
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"elements": [
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],
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"density": 1.8165586636855795,
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"volume": 123.34687344693079,
"volume_molar": 8.25346926892582,
"formula_full": "Li1 O8",
"formula_reduced": "LiO8",
"formula_anonymous": "AB8",
"energy": -44.72671513,
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"updated_at": "2021-11-28T01:35:37.687000Z",
"spacegroup": 8
},
{
"id": "mp-1179516",
"created_at": "2022-09-04T14:42:08.356067Z",
"structure_string": "Sc1 Cu3 Hg1 Se4\n1.0\n5.945402 0.000000 0.000000\n0.000000 5.945402 0.000000\n0.000000 0.000000 5.945402\nSc Cu Hg Se\n1 3 1 4\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Hg\n0.242634 0.242634 0.242634 Se\n0.757366 0.757366 0.242634 Se\n0.242634 0.757366 0.757366 Se\n0.757366 0.242634 0.757366 Se\n",
"nsites": 9,
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"elements": [
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"Hg",
"Se"
],
"chemical_system": "Cu-Hg-Sc-Se",
"density": 5.942060547674351,
"density_atomic": 0.04282514427734502,
"volume": 210.15691019542228,
"volume_molar": 14.062161054261244,
"formula_full": "Sc1 Cu3 Hg1 Se4",
"formula_reduced": "ScCu3HgSe4",
"formula_anonymous": "ABC3D4",
"energy": -38.99745641,
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"updated_at": "2021-11-28T01:35:38.894000Z",
"spacegroup": 215
},
{
"id": "mp-753143",
"created_at": "2022-09-04T14:42:07.534389Z",
"structure_string": "Li16 Ni4 O4 F16\n1.0\n-0.000132 -2.059069 -2.058990\n0.000358 8.234958 -8.234637\n10.393035 -2.058015 4.117590\nLi Ni O F\n16 4 4 16\ndirect\n0.600743 0.200557 0.201476 Li\n0.600872 0.450656 0.201740 Li\n0.600738 0.700559 0.201472 Li\n0.600874 0.950669 0.201752 Li\n0.399136 0.299328 0.798247 Li\n0.399285 0.549438 0.798527 Li\n0.399139 0.799349 0.798256 Li\n0.399285 0.049441 0.798526 Li\n0.201662 0.151214 0.403232 Li\n0.201659 0.401198 0.403226 Li\n0.201661 0.651213 0.403228 Li\n0.201663 0.901216 0.403235 Li\n0.798353 0.348780 0.596763 Li\n0.798360 0.598790 0.596771 Li\n0.798360 0.848798 0.596773 Li\n0.798357 0.098790 0.596771 Li\n0.000097 0.499926 0.999980 Ni\n0.999904 0.750062 0.999996 Ni\n0.000100 0.999876 0.000018 Ni\n0.999586 0.250143 0.000027 Ni\n0.499982 0.124999 0.000000 O\n0.500038 0.375020 0.000019 O\n0.499989 0.625003 0.999994 O\n0.500022 0.874982 0.999990 O\n0.104338 0.078094 0.208671 F\n0.104357 0.328437 0.208711 F\n0.104329 0.578145 0.208698 F\n0.104335 0.828404 0.208712 F\n0.895691 0.421618 0.791310 F\n0.895664 0.671830 0.791271 F\n0.895661 0.921583 0.791316 F\n0.895658 0.171889 0.791303 F\n0.700973 0.275645 0.401723 F\n0.700933 0.525718 0.401777 F\n0.700961 0.775602 0.401682 F\n0.700929 0.025672 0.401754 F\n0.299065 0.224396 0.598303 F\n0.299104 0.474329 0.598257 F\n0.299056 0.724349 0.598281 F\n0.299078 0.974281 0.598212 F\n",
"nsites": 40,
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"elements": [
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"O",
"F"
],
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"volume": 352.4444928502831,
"volume_molar": 5.306175865078046,
"formula_full": "Li16 Ni4 O4 F16",
"formula_reduced": "Li4NiOF4",
"formula_anonymous": "ABC4D4",
"energy": -213.48876034,
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"updated_at": "2021-11-28T01:35:32.264000Z",
"spacegroup": 139
},
{
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{
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}