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{
"id": "mp-1028233",
"created_at": "2022-09-04T14:42:25.015519Z",
"structure_string": "Mg14 Al1 Sb1\n1.0\n6.341589 -0.060200 0.000000\n-3.222930 5.582277 0.000000\n0.000000 0.000000 10.293262\nMg Al Sb\n14 1 1\ndirect\n0.167794 0.333897 0.625000 Mg\n0.167418 0.833708 0.625000 Mg\n0.668200 0.333063 0.125000 Mg\n0.666306 0.333611 0.625000 Mg\n0.668200 0.835136 0.125000 Mg\n0.666306 0.832694 0.625000 Mg\n0.332824 0.170005 0.373981 Mg\n0.332824 0.170005 0.876019 Mg\n0.332824 0.662821 0.373981 Mg\n0.332824 0.662821 0.876019 Mg\n0.836233 0.168117 0.373254 Mg\n0.836233 0.168117 0.876746 Mg\n0.831929 0.665965 0.376963 Mg\n0.831929 0.665965 0.873037 Mg\n0.163107 0.331553 0.125000 Al\n0.165047 0.832523 0.125000 Sb\n",
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{
"id": "mp-19733",
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"nsites": 6,
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"elements": [
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"formula_full": "Ce4 In2",
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"updated_at": "2021-11-28T01:36:17.155000Z",
"spacegroup": 194
},
{
"id": "mp-1186393",
"created_at": "2022-09-04T14:39:58.494482Z",
"structure_string": "Np1 Sc3\n1.0\n-2.252436 2.252436 4.781832\n2.252436 -2.252436 4.781832\n2.252436 2.252436 -4.781832\nNp Sc\n1 3\ndirect\n0.000000 0.000000 0.000000 Np\n0.750000 0.250000 0.500000 Sc\n0.250000 0.750000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Np-Sc",
"density": 6.36324100154623,
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"volume": 97.04188527293655,
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"formula_full": "Np1 Sc3",
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"updated_at": "2021-11-28T01:34:53.090000Z",
"spacegroup": 139
},
{
"id": "mp-1026846",
"created_at": "2022-09-04T14:40:12.305041Z",
"structure_string": "K1 Mg14 Mo1\n1.0\n6.457017 -0.069199 0.000000\n-3.288437 5.695739 0.000000\n0.000000 0.000000 10.261846\nK Mg Mo\n1 14 1\ndirect\n0.162639 0.331319 0.125000 K\n0.171456 0.335727 0.625000 Mg\n0.165726 0.832863 0.625000 Mg\n0.661778 0.327161 0.125000 Mg\n0.666293 0.338154 0.625000 Mg\n0.661778 0.834616 0.125000 Mg\n0.666293 0.828137 0.625000 Mg\n0.331496 0.150379 0.376056 Mg\n0.331496 0.150379 0.873944 Mg\n0.331496 0.681118 0.376056 Mg\n0.331496 0.681118 0.873944 Mg\n0.822466 0.161234 0.389682 Mg\n0.822466 0.161234 0.860318 Mg\n0.844336 0.672168 0.361671 Mg\n0.844336 0.672168 0.888329 Mg\n0.184450 0.842224 0.125000 Mo\n",
"nsites": 16,
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"elements": [
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"Mg",
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],
"chemical_system": "K-Mg-Mo",
"density": 2.104323420885612,
"density_atomic": 0.0426587353076468,
"volume": 375.0697221708754,
"volume_molar": 14.117016635794403,
"formula_full": "K1 Mg14 Mo1",
"formula_reduced": "KMg14Mo",
"formula_anonymous": "ABC14",
"energy": -30.5936409,
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"updated_at": "2021-11-28T01:34:52.095000Z",
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{
"id": "mp-1227251",
"created_at": "2022-09-04T14:43:16.543860Z",
"structure_string": "Ca1 Mn1 Fe1 Ge2\n1.0\n-1.968579 1.968579 5.541207\n1.968579 -1.968579 5.541207\n1.968579 1.968579 -5.541207\nCa Mn Fe Ge\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Fe\n0.621628 0.621628 0.000000 Ge\n0.378372 0.378372 0.000000 Ge\n",
"nsites": 5,
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"elements": [
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"chemical_system": "Ca-Fe-Ge-Mn",
"density": 5.725028337675387,
"density_atomic": 0.05821031413660422,
"volume": 85.89543063221274,
"volume_molar": 10.345487478160019,
"formula_full": "Ca1 Mn1 Fe1 Ge2",
"formula_reduced": "CaMnFeGe2",
"formula_anonymous": "ABCD2",
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"updated_at": "2021-11-28T01:36:07.761000Z",
"spacegroup": 119
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{
"id": "mp-865383",
"created_at": "2022-09-04T14:40:00.086345Z",
"structure_string": "Tm2 Os1 Ru1\n1.0\n0.000000 3.363474 3.363474\n3.363474 0.000000 3.363474\n3.363474 3.363474 0.000000\nTm Os Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.750000 0.750000 0.750000 Tm\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
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"elements": [
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"Os",
"Ru"
],
"chemical_system": "Os-Ru-Tm",
"density": 13.72845906151859,
"density_atomic": 0.05256126041096155,
"volume": 76.10167581076134,
"volume_molar": 11.457375095107295,
"formula_full": "Tm2 Os1 Ru1",
"formula_reduced": "Tm2OsRu",
"formula_anonymous": "ABC2",
"energy": -30.59315806,
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"updated_at": "2021-11-28T01:34:46.614000Z",
"spacegroup": 225
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{
"id": "mp-31185",
"created_at": "2022-09-04T14:39:45.818927Z",
"structure_string": "Mn1 Al1 Fe2\n1.0\n0.000000 2.839739 2.839739\n2.839739 0.000000 2.839739\n2.839739 2.839739 0.000000\nMn Al Fe\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Al\n0.750000 0.750000 0.750000 Fe\n0.250000 0.250000 0.250000 Fe\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Al-Fe-Mn",
"density": 7.019572677731332,
"density_atomic": 0.08733628567125701,
"volume": 45.79997843114627,
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"formula_full": "Mn1 Al1 Fe2",
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{
"id": "mp-1210627",
"created_at": "2022-09-04T14:41:49.121993Z",
"structure_string": "Mn3 Ga1\n1.0\n-1.885724 1.885724 3.440511\n1.885724 -1.885724 3.440511\n1.885724 1.885724 -3.440511\nMn Ga\n3 1\ndirect\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"density": 7.958322130908212,
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"volume": 48.93720922949029,
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"formula_full": "Mn3 Ga1",
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"energy": -30.5925843,
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{
"id": "mp-999205",
"created_at": "2022-09-04T14:42:15.617190Z",
"structure_string": "Sc2 C2\n1.0\n1.979444 -3.428498 0.000000\n1.979444 3.428498 0.000000\n0.000000 0.000000 4.578002\nSc C\n2 2\ndirect\n0.666667 0.333333 0.250000 Sc\n0.333333 0.666667 0.750000 Sc\n0.666667 0.333333 0.750000 C\n0.333333 0.666667 0.250000 C\n",
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"formula_full": "Sc2 C2",
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{
"id": "mp-1079843",
"created_at": "2022-09-04T14:40:18.541081Z",
"structure_string": "La3 Mg3 Ag3\n1.0\n3.960049 -6.859006 0.000000\n3.960049 6.859006 0.000000\n0.000000 0.000000 4.390907\nLa Mg Ag\n3 3 3\ndirect\n0.414716 0.414716 0.500000 La\n0.585284 0.000000 0.500000 La\n0.000000 0.585284 0.500000 La\n0.760804 0.760804 0.000000 Mg\n0.239196 0.000000 0.000000 Mg\n0.000000 0.239196 0.000000 Mg\n0.666667 0.333333 0.000000 Ag\n0.333333 0.666667 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n",
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{
"id": "mp-1184562",
"created_at": "2022-09-04T14:39:39.421118Z",
"structure_string": "Ge1 Bi1 O3\n1.0\n3.947910 0.000000 0.000000\n0.000000 3.947910 0.000000\n0.000000 0.000000 3.947910\nGe Bi O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Ge1 Bi1 O3",
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{
"id": "mp-1225324",
"created_at": "2022-09-04T14:46:04.994787Z",
"structure_string": "Eu1 Cd1 Au5\n1.0\n-3.653965 3.653965 2.776582\n3.653965 -3.653965 2.776582\n3.653965 3.653965 -2.776582\nEu Cd Au\n1 1 5\ndirect\n0.000000 0.000000 0.000000 Eu\n0.750000 0.250000 0.500000 Cd\n0.694020 0.305980 0.000000 Au\n0.305980 0.694020 0.000000 Au\n0.305980 0.305980 0.611960 Au\n0.694020 0.694020 0.388040 Au\n0.250000 0.750000 0.500000 Au\n",
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"updated_at": "2021-11-28T01:37:23.277000Z",
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]
}