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{
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"results": [
{
"id": "mp-5928",
"created_at": "2022-09-04T14:41:05.594973Z",
"structure_string": "Al2 Cd1 S4\n1.0\n-2.819748 2.819748 5.127764\n2.819748 -2.819748 5.127764\n2.819748 2.819748 -5.127764\nAl Cd S\n2 1 4\ndirect\n0.250000 0.750000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Cd\n0.101664 0.646377 0.016321 S\n0.630056 0.085343 0.983679 S\n0.353623 0.369944 0.455287 S\n0.914657 0.898336 0.544713 S\n",
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{
"id": "mp-1023149",
"created_at": "2022-09-04T14:39:05.524906Z",
"structure_string": "Ca2 Mg12 Sb2\n1.0\n5.415906 0.000000 0.000000\n0.000000 6.292153 0.000000\n0.000000 0.000000 11.657814\nCa Mg Sb\n2 12 2\ndirect\n0.500000 0.000000 0.169532 Ca\n0.500000 0.500000 0.669532 Ca\n0.500000 0.248770 0.417475 Mg\n0.500000 0.751230 0.417475 Mg\n0.000000 0.746417 0.078809 Mg\n0.000000 0.253583 0.078809 Mg\n0.000000 0.000000 0.338071 Mg\n0.000000 0.500000 0.335576 Mg\n0.500000 0.748770 0.917475 Mg\n0.500000 0.251230 0.917475 Mg\n0.000000 0.246417 0.578809 Mg\n0.000000 0.753583 0.578809 Mg\n0.000000 0.500000 0.838071 Mg\n0.000000 0.000000 0.835576 Mg\n0.500000 0.500000 0.164250 Sb\n0.500000 0.000000 0.664250 Sb\n",
"nsites": 16,
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"elements": [
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"Mg",
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],
"chemical_system": "Ca-Mg-Sb",
"density": 2.5720174292566838,
"density_atomic": 0.04027471430635562,
"volume": 397.2715952320261,
"volume_molar": 14.952659165231287,
"formula_full": "Ca2 Mg12 Sb2",
"formula_reduced": "CaMg6Sb",
"formula_anonymous": "ABC6",
"energy": -33.74422997,
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"updated_at": "2021-11-28T01:34:23.461000Z",
"spacegroup": 38
},
{
"id": "mp-549590",
"created_at": "2022-09-04T14:41:31.840202Z",
"structure_string": "Rb2 Cl2 O4\n1.0\n3.241071 -3.337206 0.000000\n3.241071 3.337206 0.000000\n0.000000 0.000000 8.012877\nRb Cl O\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.964208 0.035792 0.750000 Cl\n0.035792 0.964208 0.250000 Cl\n0.372944 0.026502 0.250000 O\n0.026502 0.372944 0.750000 O\n0.973498 0.627056 0.250000 O\n0.627056 0.973498 0.750000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Cl",
"O"
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"chemical_system": "Cl-O-Rb",
"density": 2.929896060966681,
"density_atomic": 0.04615300196288342,
"volume": 173.33650379738373,
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"formula_full": "Rb2 Cl2 O4",
"formula_reduced": "RbClO2",
"formula_anonymous": "ABC2",
"energy": -33.74371354,
"energy_per_atom": -4.2179641925,
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"updated_at": "2021-11-28T01:35:21.862000Z",
"spacegroup": 63
},
{
"id": "mp-4883",
"created_at": "2022-09-04T14:47:36.428074Z",
"structure_string": "Ba1 Fe2 P2\n1.0\n-1.915006 1.915006 6.172695\n1.915006 -1.915006 6.172695\n1.915006 1.915006 -6.172695\nBa Fe P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.661456 0.661456 0.000000 P\n0.338544 0.338544 0.000000 P\n",
"nsites": 5,
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"elements": [
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"Fe",
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"density": 5.70275685867356,
"density_atomic": 0.05521981107860353,
"volume": 90.54721308051326,
"volume_molar": 10.905761251931281,
"formula_full": "Ba1 Fe2 P2",
"formula_reduced": "Ba(FeP)2",
"formula_anonymous": "AB2C2",
"energy": -33.7431906,
"energy_per_atom": -6.74863812,
"energy_above_hull": null,
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"total_magnetization": 5.49e-05,
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"updated_at": "2021-11-28T01:38:14.446000Z",
"spacegroup": 139
},
{
"id": "mp-1221697",
"created_at": "2022-09-04T14:47:21.379214Z",
"structure_string": "Mn3 Si1\n1.0\n2.791201 0.000000 0.000000\n0.000000 2.791201 0.000000\n0.000000 0.000000 5.684334\nMn Si\n3 1\ndirect\n0.000000 0.000000 0.746551 Mn\n0.000000 0.000000 0.253449 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "Mn-Si",
"density": 7.233003762433924,
"density_atomic": 0.0903229636282919,
"volume": 44.285526507536765,
"volume_molar": 6.6673418564774405,
"formula_full": "Mn3 Si1",
"formula_reduced": "Mn3Si",
"formula_anonymous": "AB3",
"energy": -33.742981060000005,
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"updated_at": "2021-11-28T01:38:04.764000Z",
"spacegroup": 123
},
{
"id": "mp-1094326",
"created_at": "2022-09-04T14:41:07.888641Z",
"structure_string": "Mg2 Ti4\n1.0\n1.473004 -7.660676 0.000000\n1.473004 7.660676 0.000000\n0.000000 0.000000 4.925038\nMg Ti\n2 4\ndirect\n0.110712 0.889288 0.250000 Mg\n0.889288 0.110712 0.750000 Mg\n0.438321 0.561679 0.250000 Ti\n0.778585 0.221415 0.250000 Ti\n0.221415 0.778585 0.750000 Ti\n0.561679 0.438321 0.750000 Ti\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 3.5866653705111466,
"density_atomic": 0.05398096550546066,
"volume": 111.15029054812008,
"volume_molar": 11.156044919927947,
"formula_full": "Mg2 Ti4",
"formula_reduced": "MgTi2",
"formula_anonymous": "AB2",
"energy": -33.74226741,
"energy_per_atom": -5.623711234999999,
"energy_above_hull": null,
"is_stable": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:20.510000Z",
"spacegroup": 63
},
{
"id": "mp-1022638",
"created_at": "2022-09-04T14:43:20.002350Z",
"structure_string": "Na2 Y2 Mg12\n1.0\n5.268954 0.000000 0.000000\n0.000000 6.657913 0.000000\n0.000000 0.000000 11.565681\nNa Y Mg\n2 2 12\ndirect\n0.500000 0.500000 0.162075 Na\n0.500000 0.000000 0.662075 Na\n0.000000 0.500000 0.337295 Y\n0.000000 0.000000 0.837295 Y\n0.000000 0.748757 0.081544 Mg\n0.000000 0.251243 0.081544 Mg\n0.000000 0.000000 0.336267 Mg\n0.500000 0.248816 0.417213 Mg\n0.500000 0.751184 0.417213 Mg\n0.500000 0.000000 0.166849 Mg\n0.000000 0.248757 0.581544 Mg\n0.000000 0.751243 0.581544 Mg\n0.000000 0.500000 0.836267 Mg\n0.500000 0.748816 0.917213 Mg\n0.500000 0.251184 0.917213 Mg\n0.500000 0.500000 0.666849 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Y",
"Mg"
],
"chemical_system": "Mg-Na-Y",
"density": 2.109613774565005,
"density_atomic": 0.03943539998715717,
"volume": 405.72683439779183,
"volume_molar": 15.27090066782945,
"formula_full": "Na2 Y2 Mg12",
"formula_reduced": "NaYMg6",
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"updated_at": "2021-11-28T01:36:13.956000Z",
"spacegroup": 38
},
{
"id": "mp-861640",
"created_at": "2022-09-04T14:48:07.602305Z",
"structure_string": "Ti2 Al1 Re1\n1.0\n0.000000 3.144712 3.144712\n3.144712 0.000000 3.144712\n3.144712 3.144712 0.000000\nTi Al Re\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Ti\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Re\n",
"nsites": 4,
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"elements": [
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"Al",
"Re"
],
"chemical_system": "Al-Re-Ti",
"density": 8.24757100401431,
"density_atomic": 0.06431131086326367,
"volume": 62.19745712390551,
"volume_molar": 9.364046042855593,
"formula_full": "Ti2 Al1 Re1",
"formula_reduced": "Ti2AlRe",
"formula_anonymous": "ABC2",
"energy": -33.73980089,
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"updated_at": "2021-11-28T01:38:32.660000Z",
"spacegroup": 225
},
{
"id": "mp-1018697",
"created_at": "2022-09-04T14:40:55.252722Z",
"structure_string": "Eu2 Cd2 Sn2\n1.0\n2.496130 -4.323423 0.000000\n2.496130 4.323423 0.000000\n0.000000 0.000000 7.856261\nEu Cd Sn\n2 2 2\ndirect\n0.000000 0.000000 0.746778 Eu\n0.000000 0.000000 0.246778 Eu\n0.666667 0.333333 0.543038 Cd\n0.333333 0.666667 0.043038 Cd\n0.666667 0.333333 0.957184 Sn\n0.333333 0.666667 0.457184 Sn\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Cd-Eu-Sn",
"density": 7.5029735074259225,
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"volume": 169.56680113527415,
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"formula_full": "Eu2 Cd2 Sn2",
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"updated_at": "2021-11-28T01:35:23.140000Z",
"spacegroup": 186
},
{
"id": "mp-1027946",
"created_at": "2022-09-04T14:41:50.602360Z",
"structure_string": "Y1 Mg14 Sb1\n1.0\n6.480991 0.000000 -0.000000\n-3.240496 5.612703 -0.000000\n-0.000000 -0.000000 10.466624\nY Mg Sb\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Y\n0.173594 0.836796 0.125000 Mg\n0.162935 0.831467 0.625000 Mg\n0.663204 0.326406 0.125000 Mg\n0.668533 0.337065 0.625000 Mg\n0.663204 0.836796 0.125000 Mg\n0.668533 0.831467 0.625000 Mg\n0.333840 0.166160 0.376567 Mg\n0.333840 0.166160 0.873433 Mg\n0.333840 0.667680 0.376567 Mg\n0.333840 0.667680 0.873433 Mg\n0.832320 0.166160 0.376567 Mg\n0.832320 0.166160 0.873433 Mg\n0.833333 0.666667 0.370201 Mg\n0.833333 0.666667 0.879799 Mg\n0.166667 0.333333 0.625000 Sb\n",
"nsites": 16,
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"volume": 380.7326338093319,
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"formula_full": "Y1 Mg14 Sb1",
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{
"id": "mp-1070456",
"created_at": "2022-09-04T14:43:13.766889Z",
"structure_string": "Be3 N2\n1.0\n4.946400 -1.423862 0.000000\n4.946400 1.423862 0.000000\n4.536530 0.000000 2.431904\nBe N\n3 2\ndirect\n0.140981 0.140981 0.140981 Be\n0.682496 0.682496 0.682496 Be\n0.911087 0.911087 0.911087 Be\n0.795724 0.795724 0.795724 N\n0.291612 0.291612 0.291612 N\n",
"nsites": 5,
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"elements": [
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],
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"volume": 34.25575595416381,
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"formula_full": "Be3 N2",
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"energy": -33.73741468,
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"updated_at": "2021-11-28T01:36:08.345000Z",
"spacegroup": 160
},
{
"id": "mp-985547",
"created_at": "2022-09-04T14:40:36.610897Z",
"structure_string": "Ac6 Sm2\n1.0\n3.931020 -6.808726 0.000000\n3.931020 6.808726 0.000000\n0.000000 0.000000 6.319018\nAc Sm\n6 2\ndirect\n0.168548 0.337096 0.250000 Ac\n0.662904 0.831452 0.250000 Ac\n0.168548 0.831452 0.250000 Ac\n0.831452 0.662904 0.750000 Ac\n0.337096 0.168548 0.750000 Ac\n0.831452 0.168548 0.750000 Ac\n0.333333 0.666667 0.750000 Sm\n0.666667 0.333333 0.250000 Sm\n",
"nsites": 8,
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}
]
}