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{
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"results": [
{
"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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"elements": [
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"density": 6.9256734283886985,
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"volume": 168.5054289320512,
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"formula_full": "In4 Sb2",
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{
"id": "mp-1221664",
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"structure_string": "Mn1 Cd2 Te3\n1.0\n2.316190 -4.011759 0.000000\n2.316190 4.011759 0.000000\n0.000000 0.000000 11.249267\nMn Cd Te\n1 2 3\ndirect\n0.333333 0.666667 0.663808 Mn\n0.000000 0.000000 0.996884 Cd\n0.666667 0.333333 0.338319 Cd\n0.000000 0.000000 0.250353 Te\n0.666667 0.333333 0.594004 Te\n0.333333 0.666667 0.906632 Te\n",
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"elements": [
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"Cd",
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"density": 5.2627301493962015,
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"formula_full": "Mn1 Cd2 Te3",
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"updated_at": "2021-11-28T01:36:37.084000Z",
"spacegroup": 156
},
{
"id": "mp-1094425",
"created_at": "2022-09-04T14:44:14.721420Z",
"structure_string": "Mg5 Zn1\n1.0\n5.614180 -2.629018 0.000000\n5.614180 2.629018 0.000000\n4.383058 0.000000 4.384010\nMg Zn\n5 1\ndirect\n0.338430 0.000000 0.661570 Mg\n0.832793 0.832793 0.832793 Mg\n0.000000 0.661570 0.338430 Mg\n0.661570 0.338430 0.000000 Mg\n0.167207 0.167207 0.167207 Mg\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 6,
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"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 2.398589744440542,
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"volume": 129.4140486489098,
"volume_molar": 12.989160288087048,
"formula_full": "Mg5 Zn1",
"formula_reduced": "Mg5Zn",
"formula_anonymous": "AB5",
"energy": -9.25085349,
"energy_per_atom": -1.541808915,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:29.100000Z",
"spacegroup": 155
},
{
"id": "mp-1183089",
"created_at": "2022-09-04T14:44:19.313932Z",
"structure_string": "Ac4 Mg2\n1.0\n2.036575 7.280329 0.000000\n-2.036575 7.280329 0.000000\n0.000000 2.276016 7.840958\nAc Mg\n4 2\ndirect\n0.851343 0.851343 0.570096 Ac\n0.148657 0.148657 0.429904 Ac\n0.843076 0.843076 0.082161 Ac\n0.156924 0.156924 0.917839 Ac\n0.496994 0.496994 0.762259 Mg\n0.503006 0.503006 0.237741 Mg\n",
"nsites": 6,
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"elements": [
"Ac",
"Mg"
],
"chemical_system": "Ac-Mg",
"density": 6.831773774460174,
"density_atomic": 0.025804812823089926,
"volume": 232.51476540962355,
"volume_molar": 23.337277434585534,
"formula_full": "Ac4 Mg2",
"formula_reduced": "Ac2Mg",
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"updated_at": "2021-11-28T01:36:37.121000Z",
"spacegroup": 12
},
{
"id": "mp-1072880",
"created_at": "2022-09-04T14:44:19.275360Z",
"structure_string": "Nd4 Fe2\n1.0\n6.867589 -2.620960 0.000000\n6.867589 2.620960 0.000000\n5.867321 0.000000 4.428065\nNd Fe\n4 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.243773 0.243773 0.243773 Nd\n0.756227 0.756227 0.756227 Nd\n0.367740 0.367740 0.367740 Fe\n0.632260 0.632260 0.632260 Fe\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Fe-Nd",
"density": 7.173713402297474,
"density_atomic": 0.037639390143261196,
"volume": 159.40747119342515,
"volume_molar": 15.99957049537419,
"formula_full": "Nd4 Fe2",
"formula_reduced": "Nd2Fe",
"formula_anonymous": "AB2",
"energy": -33.86637613,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:34.054000Z",
"spacegroup": 166
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{
"id": "mp-1329",
"created_at": "2022-09-04T14:44:19.267412Z",
"structure_string": "La2 Te4\n1.0\n4.559657 0.000000 0.000000\n0.000000 4.559657 0.000000\n0.000000 0.000000 9.291893\nLa Te\n2 4\ndirect\n0.000000 0.500000 0.725606 La\n0.500000 0.000000 0.274394 La\n0.000000 0.500000 0.366476 Te\n0.500000 0.000000 0.633524 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 6,
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"elements": [
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"Te"
],
"chemical_system": "La-Te",
"density": 6.775213848356024,
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"volume": 193.182840849975,
"volume_molar": 19.38957100025379,
"formula_full": "La2 Te4",
"formula_reduced": "LaTe2",
"formula_anonymous": "AB2",
"energy": -32.52358801,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:27.587000Z",
"spacegroup": 129
},
{
"id": "mp-1219310",
"created_at": "2022-09-04T14:44:22.970129Z",
"structure_string": "Sc2 Ga2 Ni2\n1.0\n-4.128419 0.000000 0.000000\n-2.064210 -3.020563 3.565613\n2.064210 3.296805 3.807235\nSc Ga Ni\n2 2 2\ndirect\n0.746115 0.700988 0.193217 Sc\n0.253885 0.299012 0.806783 Sc\n0.566217 0.260269 0.392703 Ga\n0.433783 0.739731 0.607297 Ga\n0.034774 0.124499 0.194047 Ni\n0.965226 0.875501 0.805953 Ni\n",
"nsites": 6,
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"elements": [
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"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Sc",
"density": 5.997308747096969,
"density_atomic": 0.0624955110514042,
"volume": 96.00689552030133,
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"formula_full": "Sc2 Ga2 Ni2",
"formula_reduced": "ScGaNi",
"formula_anonymous": "ABC",
"energy": -33.9274835,
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"updated_at": "2021-11-28T01:36:37.929000Z",
"spacegroup": 12
},
{
"id": "mp-1094465",
"created_at": "2022-09-04T14:44:22.975216Z",
"structure_string": "Mg4 Zn2\n1.0\n1.547520 -7.926486 0.000000\n1.547521 7.926486 0.000000\n0.000000 0.000000 4.855972\nMg Zn\n4 2\ndirect\n0.002770 0.997230 0.000000 Mg\n0.330715 0.669285 0.000000 Mg\n0.666476 0.333524 0.000000 Mg\n0.444653 0.555347 0.500000 Mg\n0.112841 0.887159 0.500000 Zn\n0.775877 0.224123 0.500000 Zn\n",
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"elements": [
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"Zn"
],
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"density": 3.178579247144115,
"density_atomic": 0.05036489966513924,
"volume": 119.1305857828003,
"volume_molar": 11.957019273421304,
"formula_full": "Mg4 Zn2",
"formula_reduced": "Mg2Zn",
"formula_anonymous": "AB2",
"energy": -9.00322858,
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"updated_at": "2021-11-28T01:36:38.644000Z",
"spacegroup": 38
},
{
"id": "mp-1225835",
"created_at": "2022-09-04T14:44:25.405865Z",
"structure_string": "Cu4 S2\n1.0\n3.407927 2.021288 0.000000\n-3.407927 2.021288 0.000000\n0.000000 0.372946 7.287599\nCu S\n4 2\ndirect\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.014302 0.985698 0.250000 Cu\n0.985698 0.014302 0.750000 Cu\n0.366372 0.633628 0.250000 S\n0.633628 0.366372 0.750000 S\n",
"nsites": 6,
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"elements": [
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"density": 5.2646789626519075,
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"volume": 100.3998223244863,
"volume_molar": 10.07703103861745,
"formula_full": "Cu4 S2",
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"energy": -26.2370597,
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"updated_at": "2021-11-28T01:36:33.867000Z",
"spacegroup": 15
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{
"id": "mp-1278619",
"created_at": "2022-09-04T14:44:14.409562Z",
"structure_string": "Mg1 Fe2 O3\n1.0\n-2.220172 -2.171569 0.019220\n-0.011166 2.244742 -6.483461\n2.200722 -2.153403 0.036370\nMg Fe O\n1 2 3\ndirect\n0.999982 0.000047 0.000035 Mg\n0.666108 0.334458 0.670022 Fe\n0.333909 0.665485 0.329932 Fe\n0.499961 0.000043 0.500060 O\n0.163618 0.328226 0.167634 O\n0.836421 0.671742 0.832317 O\n",
"nsites": 6,
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"elements": [
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"Fe",
"O"
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"density": 4.951436258042606,
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"volume": 61.70490352016122,
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"formula_full": "Mg1 Fe2 O3",
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"formula_anonymous": "AB2C3",
"energy": -43.7131786,
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"updated_at": "2021-11-28T01:36:37.597000Z",
"spacegroup": 12
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{
"id": "mp-5239",
"created_at": "2022-09-04T14:44:13.859687Z",
"structure_string": "Nd2 Si2 Ru2\n1.0\n4.235079 0.000000 0.000000\n0.000000 4.235079 0.000000\n0.000000 0.000000 6.942794\nNd Si Ru\n2 2 2\ndirect\n0.000000 0.500000 0.321514 Nd\n0.500000 0.000000 0.678486 Nd\n0.000000 0.500000 0.826017 Si\n0.500000 0.000000 0.173983 Si\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.000000 Ru\n",
"nsites": 6,
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"elements": [
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"volume": 124.5252181937292,
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"formula_full": "Nd2 Si2 Ru2",
"formula_reduced": "NdSiRu",
"formula_anonymous": "ABC",
"energy": -43.47509747,
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"updated_at": "2021-11-28T01:36:33.646000Z",
"spacegroup": 129
},
{
"id": "mp-1101405",
"created_at": "2022-09-04T14:44:18.841360Z",
"structure_string": "Rb4 O2\n1.0\n4.381960 0.000000 0.000000\n0.000000 6.433199 0.000000\n0.000000 0.000000 6.631744\nRb O\n4 2\ndirect\n0.000000 0.647082 0.723947 Rb\n0.000000 0.352918 0.276053 Rb\n0.500000 0.852918 0.223947 Rb\n0.500000 0.147082 0.776053 Rb\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 6,
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"O"
],
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"density": 3.3208294183621563,
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"volume": 186.94900057104866,
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"formula_full": "Rb4 O2",
"formula_reduced": "Rb2O",
"formula_anonymous": "AB2",
"energy": -20.51980985,
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"updated_at": "2021-11-28T01:36:39.272000Z",
"spacegroup": 58
}
]
}