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=10164",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10162",
"results": [
{
"id": "mp-1183216",
"created_at": "2022-09-04T14:45:15.875648Z",
"structure_string": "Al2 Cu6\n1.0\n2.603645 -4.509645 0.000000\n2.603645 4.509645 0.000000\n0.000000 0.000000 4.235207\nAl Cu\n2 6\ndirect\n0.333333 0.666667 0.750000 Al\n0.666667 0.333333 0.250000 Al\n0.165834 0.331668 0.250000 Cu\n0.668332 0.834166 0.250000 Cu\n0.165834 0.834166 0.250000 Cu\n0.834166 0.668332 0.750000 Cu\n0.331668 0.165834 0.750000 Cu\n0.834166 0.165834 0.750000 Cu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"Cu"
],
"chemical_system": "Al-Cu",
"density": 7.266883810067712,
"density_atomic": 0.08043799281525753,
"volume": 99.45549012359935,
"volume_molar": 7.486687010988813,
"formula_full": "Al2 Cu6",
"formula_reduced": "AlCu3",
"formula_anonymous": "AB3",
"energy": -33.54792418,
"energy_per_atom": -4.1934905225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.54792418,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.48e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.211000Z",
"spacegroup": 194
},
{
"id": "mp-1112906",
"created_at": "2022-09-04T14:40:34.866553Z",
"structure_string": "Cs2 Hg1 Bi1 Cl6\n1.0\n0.000000 5.626595 5.626595\n5.626595 0.000000 5.626595\n5.626595 5.626595 0.000000\nCs Hg Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Bi\n0.757705 0.242295 0.242295 Cl\n0.242295 0.242295 0.757705 Cl\n0.242295 0.757705 0.757705 Cl\n0.242295 0.757705 0.242295 Cl\n0.757705 0.242295 0.757705 Cl\n0.757705 0.757705 0.242295 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Hg",
"Bi",
"Cl"
],
"chemical_system": "Bi-Cl-Cs-Hg",
"density": 4.139459745211197,
"density_atomic": 0.02806939399453033,
"volume": 356.2599179002092,
"volume_molar": 21.45447372741103,
"formula_full": "Cs2 Hg1 Bi1 Cl6",
"formula_reduced": "Cs2HgBiCl6",
"formula_anonymous": "ABC2D6",
"energy": -33.54768384,
"energy_per_atom": -3.3547683839999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.86368384,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009705,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.532000Z",
"spacegroup": 225
},
{
"id": "mp-1026794",
"created_at": "2022-09-04T14:41:46.377178Z",
"structure_string": "Li1 Mg14 Mo1\n1.0\n6.319851 0.000000 -0.000000\n-3.159926 5.473151 0.000000\n-0.000000 0.000000 9.904820\nLi Mg Mo\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Li\n0.168465 0.834232 0.125000 Mg\n0.168098 0.834049 0.625000 Mg\n0.665768 0.331535 0.125000 Mg\n0.665951 0.331902 0.625000 Mg\n0.665768 0.834232 0.125000 Mg\n0.665951 0.834049 0.625000 Mg\n0.327569 0.172431 0.380835 Mg\n0.327569 0.172431 0.869165 Mg\n0.327569 0.655139 0.380835 Mg\n0.327569 0.655139 0.869165 Mg\n0.844861 0.172431 0.380835 Mg\n0.844861 0.172431 0.869165 Mg\n0.833333 0.666667 0.374998 Mg\n0.833333 0.666667 0.875002 Mg\n0.166667 0.333333 0.625000 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Mo"
],
"chemical_system": "Li-Mg-Mo",
"density": 2.1478798026367185,
"density_atomic": 0.04670131674850096,
"volume": 342.60275970727474,
"volume_molar": 12.895012773260406,
"formula_full": "Li1 Mg14 Mo1",
"formula_reduced": "LiMg14Mo",
"formula_anonymous": "ABC14",
"energy": -33.54734887,
"energy_per_atom": -2.096709304375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.54734887,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.36222,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.797000Z",
"spacegroup": 187
},
{
"id": "mp-1220204",
"created_at": "2022-09-04T14:40:55.053942Z",
"structure_string": "Nd1 Cu1 Ni4\n1.0\n2.466242 -4.333456 0.000000\n2.466242 4.333456 0.000000\n0.000000 0.000000 4.007324\nNd Cu Ni\n1 1 4\ndirect\n0.500000 0.500000 0.000000 Nd\n0.000000 0.000000 0.500000 Cu\n0.175758 0.824242 0.000000 Ni\n0.824242 0.175758 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Cu",
"Ni"
],
"chemical_system": "Cu-Nd-Ni",
"density": 8.579624725706358,
"density_atomic": 0.07004815752297804,
"volume": 85.65535785908156,
"volume_molar": 8.597143697926024,
"formula_full": "Nd1 Cu1 Ni4",
"formula_reduced": "NdCuNi4",
"formula_anonymous": "ABC4",
"energy": -33.54711909,
"energy_per_atom": -5.591186515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.54711909,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1401871,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.229000Z",
"spacegroup": 65
},
{
"id": "mp-1039395",
"created_at": "2022-09-04T14:41:06.116940Z",
"structure_string": "Mg6 Bi6\n1.0\n5.341601 0.000000 0.000000\n0.000000 3.454110 0.000000\n0.000000 0.000000 17.622863\nMg Bi\n6 6\ndirect\n-0.000000 -0.000000 0.996014 Mg\n-0.000000 -0.000000 0.339345 Mg\n0.500000 -0.000000 0.217728 Mg\n-0.000000 0.500000 0.496014 Mg\n0.000000 0.500000 0.839345 Mg\n0.500000 0.500000 0.717728 Mg\n0.000000 0.500000 0.185536 Bi\n0.500000 0.500000 0.373386 Bi\n0.500000 0.500000 0.054659 Bi\n0.000000 -0.000000 0.685536 Bi\n0.500000 -0.000000 0.873386 Bi\n0.500000 0.000000 0.554659 Bi\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Bi"
],
"chemical_system": "Bi-Mg",
"density": 7.148317499456615,
"density_atomic": 0.03690601657349794,
"volume": 325.15023603542056,
"volume_molar": 16.317504079604394,
"formula_full": "Mg6 Bi6",
"formula_reduced": "MgBi",
"formula_anonymous": "AB",
"energy": -33.54548511,
"energy_per_atom": -2.7954570925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.54548511,
"band_gap": 0.5468000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.76e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.104000Z",
"spacegroup": 38
},
{
"id": "mp-1017441",
"created_at": "2022-09-04T14:42:10.820923Z",
"structure_string": "Sr1 Rh1 O3\n1.0\n4.004484 0.000000 0.000000\n0.000000 4.004484 0.000000\n0.000000 0.000000 4.004484\nSr Rh O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Rh\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Rh",
"O"
],
"chemical_system": "O-Rh-Sr",
"density": 6.167951451627042,
"density_atomic": 0.0778628535767738,
"volume": 64.21547336522843,
"volume_molar": 7.734292391508731,
"formula_full": "Sr1 Rh1 O3",
"formula_reduced": "SrRhO3",
"formula_anonymous": "ABC3",
"energy": -33.54509686,
"energy_per_atom": -6.709019372,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.48409686,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4077495,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.942000Z",
"spacegroup": 221
},
{
"id": "mp-569103",
"created_at": "2022-09-04T14:39:40.019169Z",
"structure_string": "Mg18 Hg6\n1.0\n9.270087 -4.161962 0.000000\n9.270087 4.161962 0.000000\n7.401503 0.000000 6.962341\nMg Hg\n18 6\ndirect\n0.327211 0.081898 0.759616 Mg\n0.862940 0.862940 0.862940 Mg\n0.770682 0.037690 0.519458 Mg\n0.442881 0.442881 0.442881 Mg\n0.759616 0.327211 0.081898 Mg\n0.672789 0.240384 0.918102 Mg\n0.962310 0.229318 0.480542 Mg\n0.037690 0.519458 0.770682 Mg\n0.519458 0.770682 0.037690 Mg\n0.681165 0.681165 0.681165 Mg\n0.081898 0.759616 0.327211 Mg\n0.918102 0.672789 0.240384 Mg\n0.137060 0.137060 0.137060 Mg\n0.480542 0.962310 0.229318 Mg\n0.557119 0.557119 0.557119 Mg\n0.229318 0.480542 0.962310 Mg\n0.240384 0.918102 0.672789 Mg\n0.318835 0.318835 0.318835 Mg\n0.181664 0.818336 0.500000 Hg\n0.000000 0.326180 0.673820 Hg\n0.326180 0.673820 0.000000 Hg\n0.673820 0.000000 0.326180 Hg\n0.500000 0.181664 0.818336 Hg\n0.818336 0.500000 0.181664 Hg\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 5.072223845551737,
"density_atomic": 0.04467288857563406,
"volume": 537.2385973959679,
"volume_molar": 13.480526896764534,
"formula_full": "Mg18 Hg6",
"formula_reduced": "Mg3Hg",
"formula_anonymous": "AB3",
"energy": -33.5415964,
"energy_per_atom": -1.3975665166666669,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.5415964,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007771,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:34.743000Z",
"spacegroup": 155
},
{
"id": "mp-1183431",
"created_at": "2022-09-04T14:39:39.026549Z",
"structure_string": "Be1 Os1 O3\n1.0\n3.437481 0.000000 0.000000\n0.000000 3.437481 0.000000\n0.000000 0.000000 3.437481\nBe Os O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Be",
"Os",
"O"
],
"chemical_system": "Be-O-Os",
"density": 10.107589237169604,
"density_atomic": 0.12309745814810204,
"volume": 40.61822295294155,
"volume_molar": 4.8921731208735375,
"formula_full": "Be1 Os1 O3",
"formula_reduced": "BeOsO3",
"formula_anonymous": "ABC3",
"energy": -33.5415693,
"energy_per_atom": -6.70831386,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.4805693,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.017113,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.956000Z",
"spacegroup": 221
},
{
"id": "mp-1110763",
"created_at": "2022-09-04T14:39:36.127496Z",
"structure_string": "Rb2 Pr1 Cu1 I6\n1.0\n0.000000 6.009275 6.009275\n6.009275 0.000000 6.009275\n6.009275 6.009275 0.000000\nRb Pr Cu I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Cu\n0.760266 0.239734 0.239734 I\n0.239734 0.239734 0.760266 I\n0.239734 0.760266 0.760266 I\n0.239734 0.760266 0.239734 I\n0.760266 0.239734 0.760266 I\n0.760266 0.760266 0.239734 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Pr",
"Cu",
"I"
],
"chemical_system": "Cu-I-Pr-Rb",
"density": 4.34953739683276,
"density_atomic": 0.023041129646999784,
"volume": 434.00649851827524,
"volume_molar": 26.136482248317847,
"formula_full": "Rb2 Pr1 Cu1 I6",
"formula_reduced": "Rb2PrCuI6",
"formula_anonymous": "ABC2D6",
"energy": -33.54121152,
"energy_per_atom": -3.354121152,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.26721152,
"band_gap": 1.7961,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00201,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.550000Z",
"spacegroup": 225
},
{
"id": "mp-1208368",
"created_at": "2022-09-04T14:42:14.758319Z",
"structure_string": "Tb2 Ga2 Fe2\n1.0\n2.100856 -3.638790 0.000000\n2.100856 3.638790 0.000000\n0.000000 0.000000 7.412378\nTb Ga Fe\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000000 0.000000 0.500000 Tb\n0.333333 0.666667 0.250000 Ga\n0.666667 0.333333 0.750000 Ga\n0.333333 0.666667 0.750000 Fe\n0.666667 0.333333 0.250000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga-Tb",
"density": 8.337011113742767,
"density_atomic": 0.05294322815840194,
"volume": 113.32894137184978,
"volume_molar": 11.374713952051115,
"formula_full": "Tb2 Ga2 Fe2",
"formula_reduced": "TbGaFe",
"formula_anonymous": "ABC",
"energy": -33.5409458,
"energy_per_atom": -5.590157633333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.5409458,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.3051583,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.740000Z",
"spacegroup": 194
},
{
"id": "mp-989511",
"created_at": "2022-09-04T14:45:05.238774Z",
"structure_string": "Cs2 As1 Br1 Cl6\n1.0\n0.000000 5.515873 5.515873\n5.515873 0.000000 5.515873\n5.515873 5.515873 0.000000\nCs As Br Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 Br\n0.214181 0.785819 0.785819 Cl\n0.214181 0.785819 0.214181 Cl\n0.785819 0.214181 0.785819 Cl\n0.785819 0.785819 0.214181 Cl\n0.214181 0.214181 0.785819 Cl\n0.785819 0.214181 0.214181 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"As",
"Br",
"Cl"
],
"chemical_system": "As-Br-Cl-Cs",
"density": 3.1334530388971173,
"density_atomic": 0.029793891348987824,
"volume": 335.63927191872926,
"volume_molar": 20.212669400785032,
"formula_full": "Cs2 As1 Br1 Cl6",
"formula_reduced": "Cs2AsBrCl6",
"formula_anonymous": "ABC2D6",
"energy": -33.54014427,
"energy_per_atom": -3.354014427,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.85614427,
"band_gap": 0.0675,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011454,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.242000Z",
"spacegroup": 225
},
{
"id": "mp-1078053",
"created_at": "2022-09-04T14:46:19.619899Z",
"structure_string": "Ga2 Fe1 Se4\n1.0\n5.516532 0.000000 0.000000\n0.000000 5.516532 0.000000\n0.000000 0.000000 5.744866\nGa Fe Se\n2 1 4\ndirect\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Fe\n0.741215 0.741215 0.237433 Se\n0.258785 0.258785 0.237433 Se\n0.258785 0.741215 0.762567 Se\n0.741215 0.258785 0.762567 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ga",
"Fe",
"Se"
],
"chemical_system": "Fe-Ga-Se",
"density": 4.854775286144171,
"density_atomic": 0.0400392425796968,
"volume": 174.82848198406174,
"volume_molar": 15.040596105216343,
"formula_full": "Ga2 Fe1 Se4",
"formula_reduced": "Ga2FeSe4",
"formula_anonymous": "AB2C4",
"energy": -33.53602835,
"energy_per_atom": -4.790861192857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.648028350000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9998972,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:18.229000Z",
"spacegroup": 111
}
]
}