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=10150",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10148",
"results": [
{
"id": "mp-1111799",
"created_at": "2022-09-04T14:43:05.845741Z",
"structure_string": "Rb2 Sc1 Ag1 I6\n1.0\n0.000000 5.940043 5.940043\n5.940043 0.000000 5.940043\n5.940043 5.940043 0.000000\nRb Sc Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Ag\n0.755717 0.244283 0.244283 I\n0.244283 0.244283 0.755717 I\n0.244283 0.755717 0.755717 I\n0.244283 0.755717 0.244283 I\n0.755717 0.244283 0.755717 I\n0.755717 0.755717 0.244283 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Sc",
"Ag",
"I"
],
"chemical_system": "Ag-I-Rb-Sc",
"density": 4.298874141606523,
"density_atomic": 0.02385619839154541,
"volume": 419.1782712346985,
"volume_molar": 25.243505529088132,
"formula_full": "Rb2 Sc1 Ag1 I6",
"formula_reduced": "Rb2ScAgI6",
"formula_anonymous": "ABC2D6",
"energy": -33.71765436,
"energy_per_atom": -3.3717654359999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.443654360000004,
"band_gap": 2.1449,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020929,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.261000Z",
"spacegroup": 225
},
{
"id": "mp-1183696",
"created_at": "2022-09-04T14:42:55.367824Z",
"structure_string": "Cr1 Cu1 O3\n1.0\n3.698777 0.000000 0.000000\n0.000000 3.698777 0.000000\n0.000000 0.000000 3.698777\nCr Cu O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cu\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": [
"Cr",
"Cu",
"O"
],
"chemical_system": "Cr-Cu-O",
"density": 5.3666026694627424,
"density_atomic": 0.09880878502016002,
"volume": 50.60278799076263,
"volume_molar": 6.094742242576204,
"formula_full": "Cr1 Cu1 O3",
"formula_reduced": "CrCuO3",
"formula_anonymous": "ABC3",
"energy": -33.71714013,
"energy_per_atom": -6.743428025999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.65714013,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0001263,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.521000Z",
"spacegroup": 221
},
{
"id": "mp-865585",
"created_at": "2022-09-04T14:46:20.725800Z",
"structure_string": "V1 Ge1 Ru2\n1.0\n0.000000 3.028395 3.028395\n3.028395 0.000000 3.028395\n3.028395 3.028395 0.000000\nV Ge Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Ge\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Ge",
"Ru"
],
"chemical_system": "Ge-Ru-V",
"density": 9.73706269825966,
"density_atomic": 0.07200993754250684,
"volume": 55.54788875686547,
"volume_molar": 8.362930125366631,
"formula_full": "V1 Ge1 Ru2",
"formula_reduced": "VGeRu2",
"formula_anonymous": "ABC2",
"energy": -33.71265336,
"energy_per_atom": -8.42816334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.71265336,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0268706,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.108000Z",
"spacegroup": 225
},
{
"id": "mp-1226907",
"created_at": "2022-09-04T14:47:10.379580Z",
"structure_string": "Cd3 Fe1 S4\n1.0\n4.096727 0.000000 0.000000\n0.000000 4.096727 0.000000\n0.000000 0.000000 11.641501\nCd Fe S\n3 1 4\ndirect\n0.000000 0.000000 0.764818 Cd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.235182 Cd\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.367392 S\n0.500000 0.000000 0.101422 S\n0.000000 0.500000 0.898578 S\n0.500000 0.000000 0.632608 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cd",
"Fe",
"S"
],
"chemical_system": "Cd-Fe-S",
"density": 4.430833706938903,
"density_atomic": 0.04094557354585283,
"volume": 195.38131493117845,
"volume_molar": 14.70767225486808,
"formula_full": "Cd3 Fe1 S4",
"formula_reduced": "Cd3FeS4",
"formula_anonymous": "AB3C4",
"energy": -33.71230089,
"energy_per_atom": -4.21403761125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.70030089,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0001582,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.056000Z",
"spacegroup": 115
},
{
"id": "mp-976935",
"created_at": "2022-09-04T14:47:10.016599Z",
"structure_string": "Ni6 Hg2\n1.0\n2.668153 -4.621377 0.000000\n2.668153 4.621377 0.000000\n0.000000 0.000000 4.270250\nNi Hg\n6 2\ndirect\n0.155561 0.311121 0.250000 Ni\n0.688879 0.844439 0.250000 Ni\n0.155561 0.844439 0.250000 Ni\n0.844439 0.688879 0.750000 Ni\n0.311121 0.155561 0.750000 Ni\n0.844439 0.155561 0.750000 Ni\n0.333333 0.666667 0.750000 Hg\n0.666667 0.333333 0.250000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ni",
"Hg"
],
"chemical_system": "Hg-Ni",
"density": 11.878864554996364,
"density_atomic": 0.07596692750728275,
"volume": 105.3089846135091,
"volume_molar": 7.927319107940324,
"formula_full": "Ni6 Hg2",
"formula_reduced": "Ni3Hg",
"formula_anonymous": "AB3",
"energy": -33.71035085,
"energy_per_atom": -4.21379385625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.71035085,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0497814,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.365000Z",
"spacegroup": 194
},
{
"id": "mp-1068588",
"created_at": "2022-09-04T14:42:23.745424Z",
"structure_string": "Tb1 Si3 Ir1\n1.0\n-2.099897 2.099897 4.903940\n2.099897 -2.099897 4.903940\n2.099897 2.099897 -4.903940\nTb Si Ir\n1 3 1\ndirect\n0.998194 0.998194 0.000000 Tb\n0.414250 0.414250 0.000000 Si\n0.264646 0.764646 0.500000 Si\n0.764646 0.264646 0.500000 Si\n0.652263 0.652263 0.000000 Ir\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tb",
"Si",
"Ir"
],
"chemical_system": "Ir-Si-Tb",
"density": 8.358632854157836,
"density_atomic": 0.05780546230920728,
"volume": 86.4970160303276,
"volume_molar": 10.417944117092185,
"formula_full": "Tb1 Si3 Ir1",
"formula_reduced": "TbSi3Ir",
"formula_anonymous": "ABC3",
"energy": -33.70982773,
"energy_per_atom": -6.741965546,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.70982773,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011054,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.899000Z",
"spacegroup": 107
},
{
"id": "mp-3163",
"created_at": "2022-09-04T14:40:13.147284Z",
"structure_string": "Ba1 Sn1 O3\n1.0\n4.188634 0.000000 0.000000\n0.000000 4.188634 0.000000\n0.000000 0.000000 4.188634\nBa Sn O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"O"
],
"chemical_system": "Ba-O-Sn",
"density": 6.869983973204276,
"density_atomic": 0.06803819182758691,
"volume": 73.48813755471804,
"volume_molar": 8.851118170895084,
"formula_full": "Ba1 Sn1 O3",
"formula_reduced": "BaSnO3",
"formula_anonymous": "ABC3",
"energy": -33.709769030000004,
"energy_per_atom": -6.741953806000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.64876903,
"band_gap": 0.3723999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004768,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:53.732000Z",
"spacegroup": 221
},
{
"id": "mp-1110819",
"created_at": "2022-09-04T14:43:37.794284Z",
"structure_string": "Rb2 Ag1 Mo1 I6\n1.0\n0.000000 5.866204 5.866204\n5.866204 0.000000 5.866204\n5.866204 5.866204 0.000000\nRb Ag Mo 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 Ag\n0.000000 0.000000 0.000000 Mo\n0.758647 0.241353 0.241353 I\n0.241353 0.241353 0.758647 I\n0.241353 0.758647 0.758647 I\n0.241353 0.758647 0.241353 I\n0.758647 0.241353 0.758647 I\n0.758647 0.758647 0.241353 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ag",
"Mo",
"I"
],
"chemical_system": "Ag-I-Mo-Rb",
"density": 4.672950401347499,
"density_atomic": 0.02476843230741006,
"volume": 403.73972304287764,
"volume_molar": 24.313774425676243,
"formula_full": "Rb2 Ag1 Mo1 I6",
"formula_reduced": "Rb2AgMoI6",
"formula_anonymous": "ABC2D6",
"energy": -33.70828044,
"energy_per_atom": -3.3708280440000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.43428044,
"band_gap": 0.694,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.9981872,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.564000Z",
"spacegroup": 225
},
{
"id": "mp-442",
"created_at": "2022-09-04T14:46:18.778243Z",
"structure_string": "Rh3 Pb3\n1.0\n2.885377 -4.997620 0.000000\n2.885377 4.997620 0.000000\n0.000000 0.000000 4.522086\nRh Pb\n3 3\ndirect\n0.000000 0.500000 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n0.666667 0.333333 0.500000 Pb\n0.333333 0.666667 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Rh",
"Pb"
],
"chemical_system": "Pb-Rh",
"density": 11.845276737698486,
"density_atomic": 0.04600622941561847,
"volume": 130.41712125104266,
"volume_molar": 13.089837694796103,
"formula_full": "Rh3 Pb3",
"formula_reduced": "RhPb",
"formula_anonymous": "AB",
"energy": -33.70669794,
"energy_per_atom": -5.617782989999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.70669794,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012586,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:21.238000Z",
"spacegroup": 191
},
{
"id": "mp-571518",
"created_at": "2022-09-04T14:46:33.944775Z",
"structure_string": "W1 Cl6\n1.0\n6.317957 -3.311296 0.000000\n6.317957 3.311296 0.000000\n4.582478 0.000000 5.466457\nW Cl\n1 6\ndirect\n0.000000 0.000000 0.000000 W\n0.643972 0.213366 0.920765 Cl\n0.920765 0.643972 0.213366 Cl\n0.213366 0.920765 0.643972 Cl\n0.356028 0.786634 0.079235 Cl\n0.079235 0.356028 0.786634 Cl\n0.786634 0.079235 0.356028 Cl\n",
"nsites": 7,
"nelements": 2,
"elements": [
"W",
"Cl"
],
"chemical_system": "Cl-W",
"density": 2.8790235070981645,
"density_atomic": 0.030604651455675907,
"volume": 228.7234020664459,
"volume_molar": 19.677207462145887,
"formula_full": "W1 Cl6",
"formula_reduced": "WCl6",
"formula_anonymous": "AB6",
"energy": -33.70602257,
"energy_per_atom": -4.815146081428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.02202257,
"band_gap": 1.9169,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014104,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:31.730000Z",
"spacegroup": 148
},
{
"id": "mp-1217589",
"created_at": "2022-09-04T14:48:06.857893Z",
"structure_string": "Tb1 Cu1 Ni4\n1.0\n2.445636 -4.235965 0.000000\n2.445636 4.235965 0.000000\n0.000000 0.000000 3.978179\nTb Cu Ni\n1 1 4\ndirect\n0.333333 0.666667 0.000000 Tb\n0.666667 0.333333 0.000000 Cu\n0.000000 0.000000 0.000000 Ni\n0.331660 0.165830 0.500000 Ni\n0.834170 0.165830 0.500000 Ni\n0.834170 0.668340 0.500000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Cu",
"Ni"
],
"chemical_system": "Cu-Ni-Tb",
"density": 9.211694305533522,
"density_atomic": 0.07279352535027535,
"volume": 82.42491308297798,
"volume_molar": 8.272907145274317,
"formula_full": "Tb1 Cu1 Ni4",
"formula_reduced": "TbCuNi4",
"formula_anonymous": "ABC4",
"energy": -33.7057241,
"energy_per_atom": -5.617620683333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.7057241,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5385889,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:33.389000Z",
"spacegroup": 187
},
{
"id": "mp-1016823",
"created_at": "2022-09-04T14:47:26.178183Z",
"structure_string": "Ba1 Ge1 O3\n1.0\n3.980389 0.000000 0.000000\n0.000000 3.980389 0.000000\n0.000000 0.000000 3.980389\nBa Ge O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ge\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": [
"Ba",
"Ge",
"O"
],
"chemical_system": "Ba-Ge-O",
"density": 6.792562890088615,
"density_atomic": 0.0792854421049859,
"volume": 63.06327955363161,
"volume_molar": 7.595518925183991,
"formula_full": "Ba1 Ge1 O3",
"formula_reduced": "BaGeO3",
"formula_anonymous": "ABC3",
"energy": -33.70407482,
"energy_per_atom": -6.740814964,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.64307482,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015562,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.565000Z",
"spacegroup": 221
}
]
}