HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=12097",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=12095",
"results": [
{
"id": "mp-1215457",
"created_at": "2022-09-04T14:40:11.765984Z",
"structure_string": "Yb1 Tl1 Cd1\n1.0\n0.000000 0.000000 -3.610720\n-2.541694 -4.401669 0.000000\n-2.541619 4.401626 0.000000\nYb Tl Cd\n1 1 1\ndirect\n0.000000 0.999888 0.999910 Yb\n0.500000 0.666644 0.333427 Tl\n0.500000 0.333368 0.666663 Cd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Yb",
"Tl",
"Cd"
],
"chemical_system": "Cd-Tl-Yb",
"density": 10.067980533913808,
"density_atomic": 0.03713345265845304,
"volume": 80.78968652857228,
"volume_molar": 16.217562141044603,
"formula_full": "Yb1 Tl1 Cd1",
"formula_reduced": "YbTlCd",
"formula_anonymous": "ABC",
"energy": -5.85188501,
"energy_per_atom": -1.9506283366666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.85188501,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003532,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.752000Z",
"spacegroup": 187
},
{
"id": "mp-1185157",
"created_at": "2022-09-04T14:39:31.896017Z",
"structure_string": "K3 Pm1\n1.0\n-2.901010 2.901010 6.720225\n2.901010 -2.901010 6.720225\n2.901010 2.901010 -6.720225\nK Pm\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Pm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Pm"
],
"chemical_system": "K-Pm",
"density": 1.9252923574110834,
"density_atomic": 0.01768144418284693,
"volume": 226.2258647334061,
"volume_molar": 34.05910002443228,
"formula_full": "K3 Pm1",
"formula_reduced": "K3Pm",
"formula_anonymous": "AB3",
"energy": -5.85130788,
"energy_per_atom": -1.46282697,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.85130788,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1201592,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.313000Z",
"spacegroup": 139
},
{
"id": "mp-1094801",
"created_at": "2022-09-04T14:42:23.593724Z",
"structure_string": "Mg1 Sn1\n1.0\n3.317557 0.000000 0.000000\n0.000000 3.317557 0.000000\n0.000000 0.000000 4.372964\nMg Sn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 4.93421420381771,
"density_atomic": 0.04155442783715035,
"volume": 48.12964836955273,
"volume_molar": 14.492175860537554,
"formula_full": "Mg1 Sn1",
"formula_reduced": "MgSn",
"formula_anonymous": "AB",
"energy": -5.84832574,
"energy_per_atom": -2.92416287,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.84832574,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.89e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.614000Z",
"spacegroup": 123
},
{
"id": "mp-1094746",
"created_at": "2022-09-04T14:46:04.911781Z",
"structure_string": "Sr1 Mg3\n1.0\n1.784341 -3.090569 0.000000\n1.784341 3.090569 0.000000\n0.000000 0.000000 10.942393\nSr Mg\n1 3\ndirect\n0.666667 0.333333 0.500000 Sr\n0.666667 0.333333 0.000000 Mg\n0.000000 0.000000 0.228180 Mg\n0.000000 0.000000 0.771820 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.2088194956530147,
"density_atomic": 0.03314373045342508,
"volume": 120.68647509733292,
"volume_molar": 18.16977352160934,
"formula_full": "Sr1 Mg3",
"formula_reduced": "SrMg3",
"formula_anonymous": "AB3",
"energy": -5.84832058,
"energy_per_atom": -1.462080145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.84832058,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.012541,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.080000Z",
"spacegroup": 187
},
{
"id": "mp-1184882",
"created_at": "2022-09-04T14:46:06.091049Z",
"structure_string": "K3 Al1\n1.0\n-2.899592 2.899592 5.565638\n2.899592 -2.899592 5.565638\n2.899592 2.899592 -5.565638\nK Al\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Al"
],
"chemical_system": "Al-K",
"density": 1.2799581743289028,
"density_atomic": 0.02137033148359131,
"volume": 187.17538392286068,
"volume_molar": 28.179912719762697,
"formula_full": "K3 Al1",
"formula_reduced": "K3Al",
"formula_anonymous": "AB3",
"energy": -5.84636137,
"energy_per_atom": -1.4615903425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.84636137,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9171985,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.304000Z",
"spacegroup": 139
},
{
"id": "mp-982664",
"created_at": "2022-09-04T14:45:40.331781Z",
"structure_string": "K3 In1\n1.0\n-2.895539 2.895539 5.877280\n2.895539 -2.895539 5.877280\n2.895539 2.895539 -5.877280\nK In\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"In"
],
"chemical_system": "In-K",
"density": 1.955479037293855,
"density_atomic": 0.020293865648798457,
"volume": 197.10389677468024,
"volume_molar": 29.67468526804086,
"formula_full": "K3 In1",
"formula_reduced": "K3In",
"formula_anonymous": "AB3",
"energy": -5.84337028,
"energy_per_atom": -1.46084257,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.84337028,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.6508528,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.853000Z",
"spacegroup": 139
},
{
"id": "mp-1096169",
"created_at": "2022-09-04T14:42:45.237897Z",
"structure_string": "Cd2 Ag1 Pt1\n1.0\n-5.263255 5.767331 8.175663\n5.263255 -5.767331 8.175663\n5.263255 5.767331 -8.175663\nCd Ag Pt\n2 1 1\ndirect\n0.000000 0.253071 0.253071 Cd\n0.000000 0.746929 0.746929 Cd\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Ag",
"Pt"
],
"chemical_system": "Ag-Cd-Pt",
"density": 0.8828460773536277,
"density_atomic": 0.00402946816958821,
"volume": 992.6868340068754,
"volume_molar": 149.45249612470397,
"formula_full": "Cd2 Ag1 Pt1",
"formula_reduced": "Cd2AgPt",
"formula_anonymous": "ABC2",
"energy": -5.84298969,
"energy_per_atom": -1.4607474225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.84298969,
"band_gap": 0.2753000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9600949,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.950000Z",
"spacegroup": 71
},
{
"id": "mp-631530",
"created_at": "2022-09-04T14:48:09.416907Z",
"structure_string": "Hg2 B1 Cl1\n1.0\n0.000000 3.568583 3.568583\n3.568583 0.000000 3.568583\n3.568583 3.568583 0.000000\nHg B Cl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 B\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hg",
"B",
"Cl"
],
"chemical_system": "B-Cl-Hg",
"density": 8.17467289823578,
"density_atomic": 0.04400911030398935,
"volume": 90.89027186349202,
"volume_molar": 13.68385027191541,
"formula_full": "Hg2 B1 Cl1",
"formula_reduced": "Hg2BCl",
"formula_anonymous": "ABC2",
"energy": -5.84258645,
"energy_per_atom": -1.4606466125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.22858645,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004715,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.585000Z",
"spacegroup": 216
},
{
"id": "mp-2468",
"created_at": "2022-09-04T14:41:26.056637Z",
"structure_string": "Er1 Hg1\n1.0\n3.697645 0.000000 0.000000\n0.000000 3.697645 0.000000\n0.000000 0.000000 3.697645\nEr Hg\n1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Er",
"Hg"
],
"chemical_system": "Er-Hg",
"density": 12.082116992577475,
"density_atomic": 0.03955982440253137,
"volume": 50.55634169781661,
"volume_molar": 15.222870300745452,
"formula_full": "Er1 Hg1",
"formula_reduced": "ErHg",
"formula_anonymous": "AB",
"energy": -5.84137199,
"energy_per_atom": -2.920685995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.84137199,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020353,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:19.861000Z",
"spacegroup": 221
},
{
"id": "mp-1055",
"created_at": "2022-09-04T14:41:53.740230Z",
"structure_string": "Cd1 Se1\n1.0\n0.000000 2.873958 2.873958\n2.873958 0.000000 2.873958\n2.873958 2.873958 0.000000\nCd Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"Se"
],
"chemical_system": "Cd-Se",
"density": 6.693510929408785,
"density_atomic": 0.04212682695855501,
"volume": 47.475685789666265,
"volume_molar": 14.2952631251451,
"formula_full": "Cd1 Se1",
"formula_reduced": "CdSe",
"formula_anonymous": "AB",
"energy": -5.839225000000001,
"energy_per_atom": -2.9196125000000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.367225,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002648,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.459000Z",
"spacegroup": 225
},
{
"id": "mp-1093905",
"created_at": "2022-09-04T14:43:53.576778Z",
"structure_string": "Li1 La2 Tl1\n1.0\n-6.004615 6.312828 8.919870\n6.004615 -6.312828 8.919870\n6.004615 6.312828 -8.919870\nLi La Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.256999 0.256999 La\n0.000000 0.743001 0.743001 La\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"La",
"Tl"
],
"chemical_system": "La-Li-Tl",
"density": 0.6005517137948675,
"density_atomic": 0.002957551744079407,
"volume": 1352.4699975266449,
"volume_molar": 203.61911746955766,
"formula_full": "Li1 La2 Tl1",
"formula_reduced": "LiLa2Tl",
"formula_anonymous": "ABC2",
"energy": -5.83802725,
"energy_per_atom": -1.4595068125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.83802725,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1818121,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.141000Z",
"spacegroup": 71
},
{
"id": "mp-1186770",
"created_at": "2022-09-04T14:47:34.015621Z",
"structure_string": "Sr1 Tb1\n1.0\n1.907664 -3.304171 0.000000\n1.907664 3.304171 0.000000\n0.000000 0.000000 6.357769\nSr Tb\n1 1\ndirect\n0.666667 0.333333 0.500000 Sr\n0.333333 0.666667 0.000000 Tb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"Tb"
],
"chemical_system": "Sr-Tb",
"density": 5.107951605772764,
"density_atomic": 0.024953464809506158,
"volume": 80.14919031356676,
"volume_molar": 24.133485293416378,
"formula_full": "Sr1 Tb1",
"formula_reduced": "SrTb",
"formula_anonymous": "AB",
"energy": -5.83782703,
"energy_per_atom": -2.918913515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.83782703,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.630802,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.973000Z",
"spacegroup": 187
}
]
}