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=-volume&page=12123",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=12121",
"results": [
{
"id": "mp-784631",
"created_at": "2022-09-04T14:48:04.456879Z",
"structure_string": "Cr1 Ni2\n1.0\n-1.237226 1.776773 3.710434\n1.237226 -1.776773 3.710434\n1.237226 1.776773 -3.710434\nCr Ni\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.665781 0.665781 0.000000 Ni\n0.334219 0.334219 0.000000 Ni\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cr",
"Ni"
],
"chemical_system": "Cr-Ni",
"density": 8.620907303150345,
"density_atomic": 0.09195081193513253,
"volume": 32.626139311487265,
"volume_molar": 6.549306779638193,
"formula_full": "Cr1 Ni2",
"formula_reduced": "CrNi2",
"formula_anonymous": "AB2",
"energy": -21.26867678,
"energy_per_atom": -7.089558926666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.26867678,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0195075,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.270000Z",
"spacegroup": 71
},
{
"id": "mp-753304",
"created_at": "2022-09-04T14:43:33.462524Z",
"structure_string": "Hg1\n1.0\n0.000000 2.535410 2.535410\n2.535410 0.000000 2.535410\n2.535410 2.535410 0.000000\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.218420805720436,
"density_atomic": 0.030677884469927155,
"volume": 32.596771820438846,
"volume_molar": 19.63023482242842,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.29137629,
"energy_per_atom": -0.29137629,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.29137629,
"band_gap": 0.3447,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0071822,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.923000Z",
"spacegroup": 225
},
{
"id": "mp-2283",
"created_at": "2022-09-04T14:46:42.719361Z",
"structure_string": "Zr1 Co1\n1.0\n3.194368 0.000000 0.000000\n0.000000 3.194368 0.000000\n0.000000 0.000000 3.194368\nZr Co\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Co\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Co"
],
"chemical_system": "Co-Zr",
"density": 7.649629559253404,
"density_atomic": 0.06135855958630631,
"volume": 32.595289287826596,
"volume_molar": 9.814671010210597,
"formula_full": "Zr1 Co1",
"formula_reduced": "ZrCo",
"formula_anonymous": "AB",
"energy": -16.23938799,
"energy_per_atom": -8.119693995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.23938799,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8974058,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:44.274000Z",
"spacegroup": 221
},
{
"id": "mp-1684",
"created_at": "2022-09-04T14:46:24.050613Z",
"structure_string": "Zn1 Au1\n1.0\n3.194297 0.000000 0.000000\n0.000000 3.194297 0.000000\n0.000000 0.000000 3.194297\nZn Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Au"
],
"chemical_system": "Au-Zn",
"density": 13.367389726023035,
"density_atomic": 0.06136265114813929,
"volume": 32.59311588692084,
"volume_molar": 9.814016583901479,
"formula_full": "Zn1 Au1",
"formula_reduced": "ZnAu",
"formula_anonymous": "AB",
"energy": -4.96506019,
"energy_per_atom": -2.482530095,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.96506019,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006418,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:35.146000Z",
"spacegroup": 221
},
{
"id": "mp-1056900",
"created_at": "2022-09-04T14:41:57.854633Z",
"structure_string": "I1 N1\n1.0\n3.193346 0.000000 0.000000\n0.000000 3.193346 0.000000\n0.000000 0.000000 3.193346\nI N\n1 1\ndirect\n0.500000 0.500000 0.500000 I\n0.000000 0.000000 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"I",
"N"
],
"chemical_system": "I-N",
"density": 7.185493275588427,
"density_atomic": 0.06141749011179294,
"volume": 32.56401387226298,
"volume_molar": 9.805253762468018,
"formula_full": "I1 N1",
"formula_reduced": "IN",
"formula_anonymous": "AB",
"energy": -5.04230204,
"energy_per_atom": -2.52115102,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.68130204,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004367,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:37.677000Z",
"spacegroup": 221
},
{
"id": "mp-998901",
"created_at": "2022-09-04T14:41:35.935773Z",
"structure_string": "Th1 C1\n1.0\n3.192985 0.000000 0.000000\n0.000000 3.192985 0.000000\n0.000000 0.000000 3.192985\nTh C\n1 1\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Th",
"C"
],
"chemical_system": "C-Th",
"density": 12.449017226025996,
"density_atomic": 0.061438324115804736,
"volume": 32.55297127295028,
"volume_molar": 9.80192875809715,
"formula_full": "Th1 C1",
"formula_reduced": "ThC",
"formula_anonymous": "AB",
"energy": -15.90485875,
"energy_per_atom": -7.952429375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.90485875,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.79e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.226000Z",
"spacegroup": 221
},
{
"id": "mp-25210",
"created_at": "2022-09-04T14:44:16.074417Z",
"structure_string": "Ni1 O2\n1.0\n4.862107 -1.399879 0.000000\n4.862107 1.399879 0.000000\n4.459059 0.000000 2.390928\nNi O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.267959 0.267959 0.267959 O\n0.732041 0.732041 0.732041 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ni",
"O"
],
"chemical_system": "Ni-O",
"density": 4.627085559763634,
"density_atomic": 0.09217427924040723,
"volume": 32.5470405054696,
"volume_molar": 6.533428641511983,
"formula_full": "Ni1 O2",
"formula_reduced": "NiO2",
"formula_anonymous": "AB2",
"energy": -17.72887177,
"energy_per_atom": -5.909623923333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.81387177,
"band_gap": 1.6001000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.9e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:35.167000Z",
"spacegroup": 166
},
{
"id": "mp-8222",
"created_at": "2022-09-04T14:42:28.024617Z",
"structure_string": "Ag1 O1\n1.0\n0.000000 2.533520 2.533520\n2.533520 0.000000 2.533520\n2.533520 2.533520 0.000000\nAg O\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.250000 0.250000 0.250000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"O"
],
"chemical_system": "Ag-O",
"density": 6.3241740485333695,
"density_atomic": 0.061493185181869046,
"volume": 32.52392918150042,
"volume_molar": 9.793183979963358,
"formula_full": "Ag1 O1",
"formula_reduced": "AgO",
"formula_anonymous": "AB",
"energy": -8.05769493,
"energy_per_atom": -4.028847465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.37069493,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2354905,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.033000Z",
"spacegroup": 216
},
{
"id": "mp-2426",
"created_at": "2022-09-04T14:48:27.365754Z",
"structure_string": "Li1 Ag1\n1.0\n3.192020 0.000000 0.000000\n0.000000 3.192020 0.000000\n0.000000 0.000000 3.192020\nLi Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"Ag"
],
"chemical_system": "Ag-Li",
"density": 5.861772738359447,
"density_atomic": 0.06149406240219479,
"volume": 32.52346522367041,
"volume_molar": 9.793044278995405,
"formula_full": "Li1 Ag1",
"formula_reduced": "LiAg",
"formula_anonymous": "AB",
"energy": -5.18500479,
"energy_per_atom": -2.592502395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.18500479,
"band_gap": 0.2724000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001827,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:40.808000Z",
"spacegroup": 221
},
{
"id": "mp-1147646",
"created_at": "2022-09-04T14:44:27.867223Z",
"structure_string": "Li1 Cu1 N1\n1.0\n2.873357 0.000000 0.000000\n0.000000 2.873357 0.000000\n0.000000 0.000000 3.936540\nLi Cu N\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Cu",
"N"
],
"chemical_system": "Cu-Li-N",
"density": 4.316975467416007,
"density_atomic": 0.09230546395020037,
"volume": 32.50078458647396,
"volume_molar": 6.52414331967282,
"formula_full": "Li1 Cu1 N1",
"formula_reduced": "LiCuN",
"formula_anonymous": "ABC",
"energy": -14.23662098,
"energy_per_atom": -4.745540326666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.87562098,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003206,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.458000Z",
"spacegroup": 123
},
{
"id": "mp-12120",
"created_at": "2022-09-04T14:47:14.288675Z",
"structure_string": "Fe2 N2\n1.0\n1.369195 -2.371516 0.000000\n1.369195 2.371516 0.000000\n0.000000 0.000000 5.004323\nFe N\n2 2\ndirect\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.750000 N\n0.333333 0.666667 0.250000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"N"
],
"chemical_system": "Fe-N",
"density": 7.138210994500016,
"density_atomic": 0.1230816469701215,
"volume": 32.49875264482782,
"volume_molar": 4.892801573789385,
"formula_full": "Fe2 N2",
"formula_reduced": "FeN",
"formula_anonymous": "AB",
"energy": -34.11345162,
"energy_per_atom": -8.528362905,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.39145162,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.378253,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:01.864000Z",
"spacegroup": 194
},
{
"id": "mp-1912",
"created_at": "2022-09-04T14:48:14.072596Z",
"structure_string": "Zn1 Ag1\n1.0\n3.191211 0.000000 0.000000\n0.000000 3.191211 0.000000\n0.000000 0.000000 3.191211\nZn Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Ag"
],
"chemical_system": "Ag-Zn",
"density": 8.853682791786275,
"density_atomic": 0.06154084211304468,
"volume": 32.49874280768193,
"volume_molar": 9.785600185544908,
"formula_full": "Zn1 Ag1",
"formula_reduced": "ZnAg",
"formula_anonymous": "AB",
"energy": -4.19151912,
"energy_per_atom": -2.09575956,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.19151912,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002065,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:41.726000Z",
"spacegroup": 221
}
]
}