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=nsites&page=54",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=52",
"results": [
{
"id": "mp-1058490",
"created_at": "2022-09-04T14:47:30.379901Z",
"structure_string": "Eu1 In1\n1.0\n3.794564 0.000000 0.000000\n0.000000 3.794564 0.000000\n0.000000 0.000000 4.300742\nEu In\n1 1\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 In\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Eu",
"In"
],
"chemical_system": "Eu-In",
"density": 7.153827553500686,
"density_atomic": 0.03229704891247203,
"volume": 61.92516243264776,
"volume_molar": 18.646102237763444,
"formula_full": "Eu1 In1",
"formula_reduced": "EuIn",
"formula_anonymous": "AB",
"energy": -13.92162562,
"energy_per_atom": -6.96081281,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.92162562,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.1160313,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:10.788000Z",
"spacegroup": 123
},
{
"id": "mp-22899",
"created_at": "2022-09-04T14:46:58.452834Z",
"structure_string": "Li1 I1\n1.0\n0.000000 3.012850 3.012850\n3.012850 0.000000 3.012850\n3.012850 3.012850 0.000000\nLi I\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"I"
],
"chemical_system": "I-Li",
"density": 4.063406290322655,
"density_atomic": 0.0365651592898122,
"volume": 54.69687644864823,
"volume_molar": 16.46961445530443,
"formula_full": "Li1 I1",
"formula_reduced": "LiI",
"formula_anonymous": "AB",
"energy": -6.20449507,
"energy_per_atom": -3.102247535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.82549507,
"band_gap": 4.2793,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004007,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:45.497000Z",
"spacegroup": 225
},
{
"id": "mp-1017541",
"created_at": "2022-09-04T14:46:59.109232Z",
"structure_string": "Zr1 Ir1\n1.0\n3.136106 0.000000 0.000000\n0.000000 3.136106 0.000000\n0.000000 0.000000 3.663068\nZr Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Ir"
],
"chemical_system": "Ir-Zr",
"density": 13.064275235468594,
"density_atomic": 0.05551413128133359,
"volume": 36.026862959710805,
"volume_molar": 10.847941994230434,
"formula_full": "Zr1 Ir1",
"formula_reduced": "ZrIr",
"formula_anonymous": "AB",
"energy": -18.96595299,
"energy_per_atom": -9.482976495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.96595299,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024856,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.082000Z",
"spacegroup": 123
},
{
"id": "mp-20351",
"created_at": "2022-09-04T14:47:30.023938Z",
"structure_string": "In1 P1\n1.0\n0.000000 2.978363 2.978363\n2.978363 0.000000 2.978363\n2.978363 2.978363 0.000000\nIn P\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"P"
],
"chemical_system": "In-P",
"density": 4.5816214404051765,
"density_atomic": 0.03785010737806824,
"volume": 52.840008616696146,
"volume_molar": 15.910498482467856,
"formula_full": "In1 P1",
"formula_reduced": "InP",
"formula_anonymous": "AB",
"energy": -8.57657251,
"energy_per_atom": -4.288286255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.57657251,
"band_gap": 0.4546000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003057,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:14.930000Z",
"spacegroup": 216
},
{
"id": "mp-2563",
"created_at": "2022-09-04T14:46:59.813234Z",
"structure_string": "Ce1 Se1\n1.0\n0.000000 2.963037 2.963037\n2.963037 0.000000 2.963037\n2.963037 2.963037 0.000000\nCe Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"Se"
],
"chemical_system": "Ce-Se",
"density": 6.992020302426222,
"density_atomic": 0.038440477708685326,
"volume": 52.028489738256184,
"volume_molar": 15.666144436699714,
"formula_full": "Ce1 Se1",
"formula_reduced": "CeSe",
"formula_anonymous": "AB",
"energy": -13.53037929,
"energy_per_atom": -6.765189645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.05837929,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2050668,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:47.511000Z",
"spacegroup": 225
},
{
"id": "mp-291",
"created_at": "2022-09-04T14:47:03.822342Z",
"structure_string": "Ti1 Os1\n1.0\n3.095162 0.000000 0.000000\n0.000000 3.095162 0.000000\n0.000000 0.000000 3.095162\nTi Os\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Os\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Os"
],
"chemical_system": "Os-Ti",
"density": 13.333767140704715,
"density_atomic": 0.06744967186494223,
"volume": 29.651738024829797,
"volume_molar": 8.928347008208473,
"formula_full": "Ti1 Os1",
"formula_reduced": "TiOs",
"formula_anonymous": "AB",
"energy": -20.53698073,
"energy_per_atom": -10.268490365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.53698073,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017294,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:48.739000Z",
"spacegroup": 221
},
{
"id": "mp-2266",
"created_at": "2022-09-04T14:41:10.198242Z",
"structure_string": "Yb1 Ag1\n1.0\n3.643797 0.000000 0.000000\n0.000000 3.643797 0.000000\n0.000000 0.000000 3.643797\nYb Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"Ag"
],
"chemical_system": "Ag-Yb",
"density": 9.641641793370036,
"density_atomic": 0.04133971458094755,
"volume": 48.379627684264435,
"volume_molar": 14.567446391551663,
"formula_full": "Yb1 Ag1",
"formula_reduced": "YbAg",
"formula_anonymous": "AB",
"energy": -5.20248908,
"energy_per_atom": -2.60124454,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.20248908,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038318,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.928000Z",
"spacegroup": 221
},
{
"id": "mp-2807",
"created_at": "2022-09-04T14:47:07.088384Z",
"structure_string": "Sc1 P1\n1.0\n0.000000 2.658474 2.658474\n2.658474 0.000000 2.658474\n2.658474 2.658474 0.000000\nSc P\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"P"
],
"chemical_system": "P-Sc",
"density": 3.355315671642028,
"density_atomic": 0.05322341638354738,
"volume": 37.57744496496184,
"volume_molar": 11.314833149007672,
"formula_full": "Sc1 P1",
"formula_reduced": "ScP",
"formula_anonymous": "AB",
"energy": -14.7275254,
"energy_per_atom": -7.3637627,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.7275254,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024741,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:57.602000Z",
"spacegroup": 225
},
{
"id": "mp-1006887",
"created_at": "2022-09-04T14:47:09.725025Z",
"structure_string": "Cd1 C1\n1.0\n0.000000 2.428117 2.428117\n2.428117 0.000000 2.428117\n2.428117 2.428117 0.000000\nCd C\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"C"
],
"chemical_system": "C-Cd",
"density": 7.216164152184209,
"density_atomic": 0.0698539825235262,
"volume": 28.63115212259255,
"volume_molar": 8.621041410161254,
"formula_full": "Cd1 C1",
"formula_reduced": "CdC",
"formula_anonymous": "AB",
"energy": -6.17133861,
"energy_per_atom": -3.085669305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.17133861,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0063349,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.588000Z",
"spacegroup": 225
},
{
"id": "mp-10143",
"created_at": "2022-09-04T14:47:04.361941Z",
"structure_string": "Ti1 B1\n1.0\n0.000000 2.481182 2.481182\n2.481182 0.000000 2.481182\n2.481182 2.481182 0.000000\nTi B\n1 1\ndirect\n0.750000 0.750000 0.750000 Ti\n0.000000 0.000000 0.000000 B\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"B"
],
"chemical_system": "B-Ti",
"density": 3.189470128017292,
"density_atomic": 0.06546725541897486,
"volume": 30.549623429307918,
"volume_molar": 9.19870662281431,
"formula_full": "Ti1 B1",
"formula_reduced": "TiB",
"formula_anonymous": "AB",
"energy": -13.13342857,
"energy_per_atom": -6.566714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.13342857,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0071934,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:51.543000Z",
"spacegroup": 216
},
{
"id": "mp-237",
"created_at": "2022-09-04T14:47:30.547157Z",
"structure_string": "Tm1 Te1\n1.0\n0.000000 3.039313 3.039313\n3.039313 0.000000 3.039313\n3.039313 3.039313 0.000000\nTm Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tm",
"Te"
],
"chemical_system": "Te-Tm",
"density": 8.769354408997215,
"density_atomic": 0.0356183434238889,
"volume": 56.150842732866074,
"volume_molar": 16.90741393649713,
"formula_full": "Tm1 Te1",
"formula_reduced": "TmTe",
"formula_anonymous": "AB",
"energy": -10.36745234,
"energy_per_atom": -5.18372617,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.94545234,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004626,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:16.532000Z",
"spacegroup": 225
},
{
"id": "mp-30373",
"created_at": "2022-09-04T14:48:01.960890Z",
"structure_string": "Rb1 Au1\n1.0\n4.202031 0.000000 0.000000\n0.000000 4.202031 0.000000\n0.000000 0.000000 4.202031\nRb Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"Au"
],
"chemical_system": "Au-Rb",
"density": 6.321045050209391,
"density_atomic": 0.02695580087550683,
"volume": 74.19553250288638,
"volume_molar": 22.340797024776844,
"formula_full": "Rb1 Au1",
"formula_reduced": "RbAu",
"formula_anonymous": "AB",
"energy": -4.80202715,
"energy_per_atom": -2.401013575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.80202715,
"band_gap": 0.3698999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006696,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.085000Z",
"spacegroup": 221
}
]
}