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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=108",
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"results": [
{
"id": "mp-2217",
"created_at": "2022-09-04T14:42:05.392940Z",
"structure_string": "Lu1 Cd1\n1.0\n3.675296 0.000000 0.000000\n0.000000 3.675296 0.000000\n0.000000 0.000000 3.675296\nLu Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Cd\n",
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"elements": [
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"chemical_system": "Cd-Lu",
"density": 9.612263104485534,
"density_atomic": 0.04028589624631723,
"volume": 49.64516583599233,
"volume_molar": 14.948508835894446,
"formula_full": "Lu1 Cd1",
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"updated_at": "2021-11-28T01:35:38.604000Z",
"spacegroup": 221
},
{
"id": "mp-1183215",
"created_at": "2022-09-04T14:40:16.982442Z",
"structure_string": "Al1 Cd3\n1.0\n-2.193786 2.193786 4.465218\n2.193786 -2.193786 4.465218\n2.193786 2.193786 -4.465218\nAl Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.750000 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Al-Cd",
"density": 7.035827706738082,
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"volume": 85.95896533819257,
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"formula_full": "Al1 Cd3",
"formula_reduced": "AlCd3",
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"updated_at": "2021-11-28T01:34:49.822000Z",
"spacegroup": 139
},
{
"id": "mp-1062169",
"created_at": "2022-09-04T14:40:40.439233Z",
"structure_string": "Er1 Cd2\n1.0\n2.779345 4.882820 0.000000\n-2.779345 4.882820 0.000000\n0.000000 0.430419 3.255471\nEr Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.666005 0.666005 0.100536 Cd\n0.333995 0.333995 0.899464 Cd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Er",
"Cd"
],
"chemical_system": "Cd-Er",
"density": 7.368310083300613,
"density_atomic": 0.03395191338037139,
"volume": 88.36026312833343,
"volume_molar": 17.737264738315393,
"formula_full": "Er1 Cd2",
"formula_reduced": "ErCd2",
"formula_anonymous": "AB2",
"energy": -6.05578898,
"energy_per_atom": -2.0185963266666667,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -6.05578898,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0029313,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.845000Z",
"spacegroup": 12
},
{
"id": "mp-1097273",
"created_at": "2022-09-04T14:39:27.578603Z",
"structure_string": "Mg2 Zn1 Ir1\n1.0\n-5.268767 5.592930 7.919557\n5.268767 -5.592930 7.919557\n5.268767 5.592930 -7.919557\nMg Zn Ir\n2 1 1\ndirect\n0.000000 0.261691 0.261691 Mg\n0.000000 0.738309 0.738309 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Zn",
"Ir"
],
"chemical_system": "Ir-Mg-Zn",
"density": 0.5447485508383524,
"density_atomic": 0.004284999089706322,
"volume": 933.4891131270102,
"volume_molar": 140.54007092946048,
"formula_full": "Mg2 Zn1 Ir1",
"formula_reduced": "Mg2ZnIr",
"formula_anonymous": "ABC2",
"energy": -6.05601468,
"energy_per_atom": -1.51400367,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.05601468,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5614196,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.916000Z",
"spacegroup": 71
},
{
"id": "mp-1094427",
"created_at": "2022-09-04T14:41:53.599534Z",
"structure_string": "Mg3 Zn1\n1.0\n-1.565552 2.612038 5.001405\n1.565552 -2.612038 5.001405\n1.565552 2.612038 -5.001405\nMg Zn\n3 1\ndirect\n0.345328 0.000000 0.345328 Mg\n0.753870 0.758381 0.995490 Mg\n0.237109 0.241619 0.995490 Mg\n0.830359 0.500000 0.330359 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 2.8076801609738333,
"density_atomic": 0.04889461017404646,
"volume": 81.80860806051017,
"volume_molar": 12.316573828001571,
"formula_full": "Mg3 Zn1",
"formula_reduced": "Mg3Zn",
"formula_anonymous": "AB3",
"energy": -6.05677028,
"energy_per_atom": -1.51419257,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -6.05677028,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.26e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.994000Z",
"spacegroup": 44
},
{
"id": "mp-1222288",
"created_at": "2022-09-04T14:45:25.035032Z",
"structure_string": "Li1 Zn3\n1.0\n1.399078 -2.423275 0.000000\n1.399078 2.423275 0.000000\n0.000000 0.000000 8.826940\nLi Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Zn\n0.666667 0.333333 0.249384 Zn\n0.666667 0.333333 0.750616 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Zn"
],
"chemical_system": "Li-Zn",
"density": 5.6366309797181255,
"density_atomic": 0.06683057407420415,
"volume": 59.85284512981544,
"volume_molar": 9.011056456455727,
"formula_full": "Li1 Zn3",
"formula_reduced": "LiZn3",
"formula_anonymous": "AB3",
"energy": -6.05760938,
"energy_per_atom": -1.514402345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.05760938,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005634,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.555000Z",
"spacegroup": 187
},
{
"id": "mp-1184766",
"created_at": "2022-09-04T14:42:42.918303Z",
"structure_string": "Hg20\n1.0\n8.609921 0.000000 0.000000\n0.000000 8.609921 0.000000\n0.000000 0.000000 8.609921\nHg\n20\ndirect\n0.375000 0.204859 0.545141 Hg\n0.560878 0.560878 0.560878 Hg\n0.704859 0.954859 0.625000 Hg\n0.310878 0.810878 0.689122 Hg\n0.954859 0.625000 0.704859 Hg\n0.045141 0.125000 0.795141 Hg\n0.689122 0.310878 0.810878 Hg\n0.295141 0.454859 0.875000 Hg\n0.439122 0.060878 0.939122 Hg\n0.625000 0.704859 0.954859 Hg\n0.125000 0.795141 0.045141 Hg\n0.939122 0.439122 0.060878 Hg\n0.795141 0.045141 0.125000 Hg\n0.189122 0.189122 0.189122 Hg\n0.545141 0.375000 0.204859 Hg\n0.454859 0.875000 0.295141 Hg\n0.810878 0.689122 0.310878 Hg\n0.204859 0.545141 0.375000 Hg\n0.060878 0.939122 0.439122 Hg\n0.875000 0.295141 0.454859 Hg\n",
"nsites": 20,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.437365009775842,
"density_atomic": 0.03133520179175948,
"volume": 638.2598118535045,
"volume_molar": 19.218452142164605,
"formula_full": "Hg20",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -6.05923205,
"energy_per_atom": -0.30296160250000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -6.05923205,
"band_gap": 0.7609000000000001,
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"is_magnetic": false,
"total_magnetization": 0.0012516,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.851000Z",
"spacegroup": 213
},
{
"id": "mp-1096652",
"created_at": "2022-09-04T14:41:31.743730Z",
"structure_string": "Ca1 Tl1 Ag2\n1.0\n-5.848400 6.306502 8.917205\n5.848400 -6.306502 8.917205\n5.848400 6.306502 -8.917205\nCa Tl Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.249996 0.249996 Ag\n0.000000 0.750004 0.750004 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"Ag"
],
"chemical_system": "Ag-Ca-Tl",
"density": 0.5808703285431025,
"density_atomic": 0.0030405044466783483,
"volume": 1315.5711725302258,
"volume_molar": 198.06386951938163,
"formula_full": "Ca1 Tl1 Ag2",
"formula_reduced": "CaTlAg2",
"formula_anonymous": "ABC2",
"energy": -6.06431635,
"energy_per_atom": -1.5160790875,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -6.06431635,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.9e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.615000Z",
"spacegroup": 71
},
{
"id": "mp-1097924",
"created_at": "2022-09-04T14:47:28.084813Z",
"structure_string": "Mg1 Sb1\n1.0\n1.848186 -3.201151 0.000000\n1.848186 3.201151 0.000000\n0.000000 0.000000 4.338052\nMg Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 4.7251834545817735,
"density_atomic": 0.03896309162379515,
"volume": 51.33062897859419,
"volume_molar": 15.456013650421463,
"formula_full": "Mg1 Sb1",
"formula_reduced": "MgSb",
"formula_anonymous": "AB",
"energy": -6.07080889,
"energy_per_atom": -3.035404445,
"energy_above_hull": null,
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"energy_uncorrected": -5.87880889,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.245000Z",
"spacegroup": 187
},
{
"id": "mp-126",
"created_at": "2022-09-04T14:44:21.944044Z",
"structure_string": "Pt1\n1.0\n0.000000 1.988385 1.988385\n1.988385 0.000000 1.988385\n1.988385 1.988385 0.000000\nPt\n1\ndirect\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 1,
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"elements": [
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"chemical_system": "Pt",
"density": 20.603420149296728,
"density_atomic": 0.06360167738992607,
"volume": 15.722855764781936,
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"formula_full": "Pt1",
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"energy": -6.07090771,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:38.792000Z",
"spacegroup": 225
},
{
"id": "mp-978268",
"created_at": "2022-09-04T14:42:06.652024Z",
"structure_string": "Mg2 Zn2\n1.0\n3.148879 0.000000 0.000000\n0.000000 4.656355 0.000000\n0.000000 0.000000 4.952332\nMg Zn\n2 2\ndirect\n0.500000 0.750000 0.195692 Mg\n0.500000 0.250000 0.804308 Mg\n0.000000 0.750000 0.679043 Zn\n0.000000 0.250000 0.320957 Zn\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mg-Zn",
"density": 4.103245538652447,
"density_atomic": 0.055086881011093956,
"volume": 72.61256993646889,
"volume_molar": 10.932077927568999,
"formula_full": "Mg2 Zn2",
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"energy": -6.07291868,
"energy_per_atom": -1.51822967,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.595000Z",
"spacegroup": 51
},
{
"id": "mp-1184878",
"created_at": "2022-09-04T14:48:00.100738Z",
"structure_string": "K3 Cu1\n1.0\n5.813225 0.000000 0.000000\n0.000000 5.813225 0.000000\n0.000000 0.000000 5.813225\nK Cu\n3 1\ndirect\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"elements": [
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"Cu"
],
"chemical_system": "Cu-K",
"density": 1.5286017746694314,
"density_atomic": 0.020361444908151477,
"volume": 196.44971258393576,
"volume_molar": 29.576195536050115,
"formula_full": "K3 Cu1",
"formula_reduced": "K3Cu",
"formula_anonymous": "AB3",
"energy": -6.0746965,
"energy_per_atom": -1.518674125,
"energy_above_hull": null,
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"energy_uncorrected": -6.0746965,
"band_gap": 0.0,
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"total_magnetization": 0.0076316,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.774000Z",
"spacegroup": 221
}
]
}