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_uncorrected&page=12127",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=12125",
"results": [
{
"id": "mp-1093694",
"created_at": "2022-09-04T14:46:35.391886Z",
"structure_string": "Ba2 Cd1 Sn1\n1.0\n-6.844492 6.943532 9.799033\n6.844492 -6.943532 9.799033\n6.844492 6.943532 -9.799033\nBa Cd Sn\n2 1 1\ndirect\n0.000000 0.268768 0.268768 Ba\n0.000000 0.731232 0.731232 Ba\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Sn"
],
"chemical_system": "Ba-Cd-Sn",
"density": 0.4508598716962968,
"density_atomic": 0.002147311837341849,
"volume": 1862.7941831455594,
"volume_molar": 280.45021944529447,
"formula_full": "Ba2 Cd1 Sn1",
"formula_reduced": "Ba2CdSn",
"formula_anonymous": "ABC2",
"energy": -4.7899108,
"energy_per_atom": -1.1974777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.7899108,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014579,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.599000Z",
"spacegroup": 71
},
{
"id": "mp-1184876",
"created_at": "2022-09-04T14:39:43.131160Z",
"structure_string": "K3 Li1\n1.0\n0.000000 4.846485 4.846485\n4.846485 0.000000 4.846485\n4.846485 4.846485 0.000000\nK Li\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Li"
],
"chemical_system": "K-Li",
"density": 0.9061197437969125,
"density_atomic": 0.017569094422613403,
"volume": 227.67251992519033,
"volume_molar": 34.276899054335026,
"formula_full": "K3 Li1",
"formula_reduced": "K3Li",
"formula_anonymous": "AB3",
"energy": -4.78690029,
"energy_per_atom": -1.1967250725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.78690029,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004497,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.037000Z",
"spacegroup": 225
},
{
"id": "mp-2667",
"created_at": "2022-09-04T14:43:13.735443Z",
"structure_string": "Cs1 Au1\n1.0\n4.381061 0.000000 0.000000\n0.000000 4.381061 0.000000\n0.000000 0.000000 4.381061\nCs Au\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cs",
"Au"
],
"chemical_system": "Au-Cs",
"density": 6.514133851114585,
"density_atomic": 0.023784394255335663,
"volume": 84.08875073836832,
"volume_molar": 25.3197146639504,
"formula_full": "Cs1 Au1",
"formula_reduced": "CsAu",
"formula_anonymous": "AB",
"energy": -4.7838449,
"energy_per_atom": -2.39192245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.7838449,
"band_gap": 1.0233,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000212,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:04.585000Z",
"spacegroup": 221
},
{
"id": "mp-1093840",
"created_at": "2022-09-04T14:47:57.366261Z",
"structure_string": "Y1 In1 Hg2\n1.0\n-5.921754 6.318364 8.694315\n5.921754 -6.318364 8.694315\n5.921754 6.318364 -8.694315\nY In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 In\n0.000000 0.256765 0.256765 Hg\n0.000000 0.743235 0.743235 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"In",
"Hg"
],
"chemical_system": "Hg-In-Y",
"density": 0.7719427272180944,
"density_atomic": 0.0030740407842153135,
"volume": 1301.2189104774839,
"volume_molar": 195.90308596173116,
"formula_full": "Y1 In1 Hg2",
"formula_reduced": "YInHg2",
"formula_anonymous": "ABC2",
"energy": -4.77854174,
"energy_per_atom": -1.194635435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.77854174,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.5947374,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.165000Z",
"spacegroup": 71
},
{
"id": "mp-97",
"created_at": "2022-09-04T14:43:05.919019Z",
"structure_string": "Pr1\n1.0\n0.000000 2.634252 2.634252\n2.634252 0.000000 2.634252\n2.634252 2.634252 0.000000\nPr\n1\ndirect\n0.500000 0.500000 0.500000 Pr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pr"
],
"chemical_system": "Pr",
"density": 6.400025707051169,
"density_atomic": 0.02735256438440348,
"volume": 36.55964340112122,
"volume_molar": 22.01673186969571,
"formula_full": "Pr1",
"formula_reduced": "Pr",
"formula_anonymous": "A",
"energy": -4.77286121,
"energy_per_atom": -4.77286121,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.77286121,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030216,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:59.738000Z",
"spacegroup": 225
},
{
"id": "mp-948",
"created_at": "2022-09-04T14:42:22.873292Z",
"structure_string": "Zn1 Te1\n1.0\n0.000000 2.885256 2.885256\n2.885256 0.000000 2.885256\n2.885256 2.885256 0.000000\nZn Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Te"
],
"chemical_system": "Te-Zn",
"density": 6.671808985491392,
"density_atomic": 0.04163388530933461,
"volume": 48.03779385806172,
"volume_molar": 14.464517820655555,
"formula_full": "Zn1 Te1",
"formula_reduced": "ZnTe",
"formula_anonymous": "AB",
"energy": -5.1942714,
"energy_per_atom": -2.5971357,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.7722714,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.3e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:49.693000Z",
"spacegroup": 225
},
{
"id": "mp-1009220",
"created_at": "2022-09-04T14:42:51.011286Z",
"structure_string": "Na1 H1\n1.0\n2.955124 0.000000 0.000000\n0.000000 2.955124 0.000000\n0.000000 0.000000 2.955124\nNa H\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"H"
],
"chemical_system": "H-Na",
"density": 1.5441580794665433,
"density_atomic": 0.07750020808196384,
"volume": 25.806382324610148,
"volume_molar": 7.770483343258917,
"formula_full": "Na1 H1",
"formula_reduced": "NaH",
"formula_anonymous": "AB",
"energy": -4.949567780000001,
"energy_per_atom": -2.4747838900000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.77056778,
"band_gap": 1.033,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002478,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.165000Z",
"spacegroup": 221
},
{
"id": "mp-1184845",
"created_at": "2022-09-04T14:43:22.134091Z",
"structure_string": "K3 Li1\n1.0\n6.185197 0.000000 0.000000\n0.000000 6.185197 0.000000\n0.000000 0.000000 6.185197\nK Li\n3 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Li"
],
"chemical_system": "K-Li",
"density": 0.8718376064506551,
"density_atomic": 0.016904385246846457,
"volume": 236.6249905920836,
"volume_molar": 35.62472501698008,
"formula_full": "K3 Li1",
"formula_reduced": "K3Li",
"formula_anonymous": "AB3",
"energy": -4.76973953,
"energy_per_atom": -1.1924348825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.76973953,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013631,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.709000Z",
"spacegroup": 221
},
{
"id": "mp-979936",
"created_at": "2022-09-04T14:46:22.270750Z",
"structure_string": "Rb1 Yb3\n1.0\n5.843326 0.000000 0.000000\n0.000000 5.843326 0.000000\n0.000000 0.000000 5.843326\nRb Yb\n1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.500000 0.000000 0.000000 Yb\n0.000000 0.500000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Yb"
],
"chemical_system": "Rb-Yb",
"density": 5.03185511501828,
"density_atomic": 0.02004839647577274,
"volume": 199.51720352466867,
"volume_molar": 30.03801709167807,
"formula_full": "Rb1 Yb3",
"formula_reduced": "RbYb3",
"formula_anonymous": "AB3",
"energy": -4.764799,
"energy_per_atom": -1.19119975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.764799,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0374427,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.470000Z",
"spacegroup": 221
},
{
"id": "mp-1096616",
"created_at": "2022-09-04T14:42:24.587774Z",
"structure_string": "Mg1 Zr1 Cd2\n1.0\n-5.957151 6.010980 8.501329\n5.957151 -6.010980 8.501329\n5.957151 6.010980 -8.501329\nMg Zr Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zr\n0.000000 0.250338 0.250338 Cd\n0.000000 0.749662 0.749662 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zr",
"Cd"
],
"chemical_system": "Cd-Mg-Zr",
"density": 0.4641361782537224,
"density_atomic": 0.0032849539425102814,
"volume": 1217.6730846166136,
"volume_molar": 183.32496788061596,
"formula_full": "Mg1 Zr1 Cd2",
"formula_reduced": "MgZrCd2",
"formula_anonymous": "ABC2",
"energy": -4.7628405,
"energy_per_atom": -1.190710125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.7628405,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.7035889,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.892000Z",
"spacegroup": 71
},
{
"id": "mp-980188",
"created_at": "2022-09-04T14:46:19.864295Z",
"structure_string": "Rb1 Yb3\n1.0\n-2.912893 2.912893 5.819939\n2.912893 -2.912893 5.819939\n2.912893 2.912893 -5.819939\nRb Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750000 0.250000 0.500000 Yb\n0.250000 0.750000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Yb"
],
"chemical_system": "Rb-Yb",
"density": 5.082542149488592,
"density_atomic": 0.02025034858687566,
"volume": 197.52746392683915,
"volume_molar": 29.738454793331194,
"formula_full": "Rb1 Yb3",
"formula_reduced": "RbYb3",
"formula_anonymous": "AB3",
"energy": -4.76087299,
"energy_per_atom": -1.1902182475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.76087299,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0057502,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.844000Z",
"spacegroup": 139
},
{
"id": "mp-1060967",
"created_at": "2022-09-04T14:44:11.656243Z",
"structure_string": "Ag1 Br1\n1.0\n3.604067 0.000000 0.000000\n0.000000 3.604067 0.000000\n0.000000 0.000000 3.604067\nAg Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"Br"
],
"chemical_system": "Ag-Br",
"density": 6.6604231893666155,
"density_atomic": 0.042721985449811054,
"volume": 46.814303664551375,
"volume_molar": 14.09611631246561,
"formula_full": "Ag1 Br1",
"formula_reduced": "AgBr",
"formula_anonymous": "AB",
"energy": -5.2948371,
"energy_per_atom": -2.64741855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.7608371,
"band_gap": 0.1213999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004218,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.389000Z",
"spacegroup": 221
}
]
}