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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=11505",
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"results": [
{
"id": "mp-1186517",
"created_at": "2022-09-04T14:41:28.881362Z",
"structure_string": "Pm3 Mg1\n1.0\n-2.503819 2.503819 5.006330\n2.503819 -2.503819 5.006330\n2.503819 2.503819 -5.006330\nPm Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Pm\n0.750000 0.250000 0.500000 Pm\n0.250000 0.750000 0.500000 Pm\n0.000000 0.000000 0.000000 Mg\n",
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"formula_full": "Pm3 Mg1",
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{
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"structure_string": "Sc1 C1\n1.0\n0.000000 2.342873 2.342873\n2.342873 0.000000 2.342873\n2.342873 2.342873 0.000000\nSc C\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 C\n",
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"elements": [
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"density": 3.6778435467959465,
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"formula_full": "Sc1 C1",
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"updated_at": "2021-11-28T01:39:38.883000Z",
"spacegroup": 225
},
{
"id": "mp-1096642",
"created_at": "2022-09-04T14:40:18.788819Z",
"structure_string": "Y1 Mn1 Au2\n1.0\n-5.434706 6.326437 9.019437\n5.434706 -6.326437 9.019437\n5.434706 6.326437 -9.019437\nY Mn Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Mn\n0.000000 0.244424 0.244424 Au\n0.000000 0.755576 0.755576 Au\n",
"nsites": 4,
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"elements": [
"Y",
"Mn",
"Au"
],
"chemical_system": "Au-Mn-Y",
"density": 0.7199074779116836,
"density_atomic": 0.003224670375730952,
"volume": 1240.4368614244179,
"volume_molar": 186.75213458476145,
"formula_full": "Y1 Mn1 Au2",
"formula_reduced": "YMnAu2",
"formula_anonymous": "ABC2",
"energy": -15.83717958,
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"energy_above_hull": null,
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"energy_uncorrected": -15.83717958,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 5.3586165,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.598000Z",
"spacegroup": 71
},
{
"id": "mp-1183574",
"created_at": "2022-09-04T14:40:14.095214Z",
"structure_string": "Ca1 Eu1 Zn2\n1.0\n0.000000 3.710788 3.710788\n3.710788 0.000000 3.710788\n3.710788 3.710788 0.000000\nCa Eu Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Eu\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Eu",
"Zn"
],
"chemical_system": "Ca-Eu-Zn",
"density": 5.246080056299102,
"density_atomic": 0.03914096828121125,
"volume": 102.19471248799205,
"volume_molar": 15.385773588260449,
"formula_full": "Ca1 Eu1 Zn2",
"formula_reduced": "CaEuZn2",
"formula_anonymous": "ABC2",
"energy": -15.83512021,
"energy_per_atom": -3.9587800525,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -15.83512021,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.626000Z",
"spacegroup": 225
},
{
"id": "mp-1222657",
"created_at": "2022-09-04T14:45:29.340664Z",
"structure_string": "Li2 Ge1 Pd1\n1.0\n0.000000 3.041107 3.041107\n3.041107 0.000000 3.041107\n3.041107 3.041107 0.000000\nLi Ge Pd\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Ge\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ge",
"Pd"
],
"chemical_system": "Ge-Li-Pd",
"density": 5.69574811644608,
"density_atomic": 0.07111069005731611,
"volume": 56.25033306210289,
"volume_molar": 8.468685587421636,
"formula_full": "Li2 Ge1 Pd1",
"formula_reduced": "Li2GePd",
"formula_anonymous": "ABC2",
"energy": -15.83508125,
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"energy_above_hull": null,
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"energy_uncorrected": -15.83508125,
"band_gap": 0.0,
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"total_magnetization": 0.0031118,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.440000Z",
"spacegroup": 216
},
{
"id": "mp-10988",
"created_at": "2022-09-04T14:42:54.362727Z",
"structure_string": "Na1 Yb1 Se2\n1.0\n7.114233 -2.092768 0.000000\n7.114233 2.092768 0.000000\n6.498612 0.000000 3.572120\nNa Yb Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Yb\n0.755570 0.755570 0.755570 Se\n0.244430 0.244430 0.244430 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Yb",
"Se"
],
"chemical_system": "Na-Se-Yb",
"density": 5.5256773786333735,
"density_atomic": 0.037605795927109144,
"volume": 106.36658263404799,
"volume_molar": 16.013863319560215,
"formula_full": "Na1 Yb1 Se2",
"formula_reduced": "NaYbSe2",
"formula_anonymous": "ABC2",
"energy": -15.83470016,
"energy_per_atom": -3.95867504,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -14.89070016,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0011462,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.519000Z",
"spacegroup": 166
},
{
"id": "mp-1094554",
"created_at": "2022-09-04T14:41:19.726397Z",
"structure_string": "Mg4 Sb2\n1.0\n1.654835 -7.916474 0.000000\n1.654835 7.916474 0.000000\n0.000000 0.000000 5.471676\nMg Sb\n4 2\ndirect\n0.558435 0.441565 0.250000 Mg\n0.221928 0.778072 0.250000 Mg\n0.778072 0.221928 0.750000 Mg\n0.441565 0.558435 0.750000 Mg\n0.889046 0.110954 0.250000 Sb\n0.110954 0.889046 0.750000 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 3.9467113102259135,
"density_atomic": 0.04185182436604696,
"volume": 143.3629260106426,
"volume_molar": 14.389195336692586,
"formula_full": "Mg4 Sb2",
"formula_reduced": "Mg2Sb",
"formula_anonymous": "AB2",
"energy": -15.829430610000005,
"energy_per_atom": -2.6382384350000008,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.445430610000004,
"band_gap": 0.0,
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"total_magnetization": 8.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.569000Z",
"spacegroup": 63
},
{
"id": "mp-1186631",
"created_at": "2022-09-04T14:48:05.498679Z",
"structure_string": "Pm1 Pr1 Tl2\n1.0\n0.000000 3.911959 3.911959\n3.911959 0.000000 3.911959\n3.911959 3.911959 0.000000\nPm Pr Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Pr\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Pr",
"Tl"
],
"chemical_system": "Pm-Pr-Tl",
"density": 9.634239078547386,
"density_atomic": 0.0334077411774253,
"volume": 119.73272837443228,
"volume_molar": 18.026183596241932,
"formula_full": "Pm1 Pr1 Tl2",
"formula_reduced": "PmPrTl2",
"formula_anonymous": "ABC2",
"energy": -15.82907224,
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"energy_above_hull": null,
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"energy_uncorrected": -15.82907224,
"band_gap": 0.0,
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"total_magnetization": 0.0001744,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.167000Z",
"spacegroup": 225
},
{
"id": "mp-1094682",
"created_at": "2022-09-04T14:47:14.961691Z",
"structure_string": "Mg2 Ga4\n1.0\n2.570924 4.609752 0.000000\n-2.570924 4.609752 0.000000\n0.000000 4.316782 4.893305\nMg Ga\n2 4\ndirect\n0.102428 0.897572 0.250000 Mg\n0.897572 0.102428 0.750000 Mg\n0.235054 0.431941 0.745393 Ga\n0.568059 0.764946 0.754607 Ga\n0.431941 0.235054 0.245393 Ga\n0.764946 0.568059 0.254607 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 4.688824440965244,
"density_atomic": 0.051731154238164705,
"volume": 115.98426689604955,
"volume_molar": 11.641226353223644,
"formula_full": "Mg2 Ga4",
"formula_reduced": "MgGa2",
"formula_anonymous": "AB2",
"energy": -15.82629254,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:59.913000Z",
"spacegroup": 15
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{
"id": "mp-27934",
"created_at": "2022-09-04T14:39:15.498890Z",
"structure_string": "Cd2 Br4\n1.0\n2.036919 -3.528047 0.000000\n2.036919 3.528047 0.000000\n0.000000 0.000000 14.255037\nCd Br\n2 4\ndirect\n0.666667 0.333333 0.874968 Cd\n0.333333 0.666667 0.374968 Cd\n0.000000 0.000000 0.765004 Br\n0.000000 0.000000 0.265004 Br\n0.333333 0.666667 0.985028 Br\n0.666667 0.333333 0.485028 Br\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"Br"
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"chemical_system": "Br-Cd",
"density": 4.4125644477622945,
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"volume": 204.883255314274,
"volume_molar": 20.56393004782627,
"formula_full": "Cd2 Br4",
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"energy": -15.82475656,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:36.601000Z",
"spacegroup": 186
},
{
"id": "mp-1207313",
"created_at": "2022-09-04T14:47:55.208033Z",
"structure_string": "Mg1 Cl6\n1.0\n5.095411 -7.892621 0.000000\n5.095411 7.892621 0.000000\n0.000000 0.000000 47.406835\nMg Cl\n1 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.249982 Cl\n0.000000 0.000000 0.750018 Cl\n0.252564 0.008747 0.000000 Cl\n0.747436 0.991253 0.000000 Cl\n0.008747 0.252564 0.000000 Cl\n0.991253 0.747436 0.000000 Cl\n",
"nsites": 7,
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"elements": [
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],
"chemical_system": "Cl-Mg",
"density": 0.10322102367978526,
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"volume": 3813.040572080776,
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"formula_full": "Mg1 Cl6",
"formula_reduced": "MgCl6",
"formula_anonymous": "AB6",
"energy": -15.824322319999998,
"energy_per_atom": -2.260617474285714,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:21.247000Z",
"spacegroup": 65
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{
"id": "mp-1187055",
"created_at": "2022-09-04T14:43:14.399813Z",
"structure_string": "Sn3 Se1\n1.0\n0.000000 3.733138 3.733138\n3.733138 0.000000 3.733138\n3.733138 3.733138 0.000000\nSn Se\n3 1\ndirect\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Se-Sn",
"density": 6.9434621134803125,
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"volume": 104.05240651984475,
"volume_molar": 15.66545596198117,
"formula_full": "Sn3 Se1",
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"energy": -15.82310658,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.353000Z",
"spacegroup": 225
}
]
}