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=12181",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=12179",
"results": [
{
"id": "mp-16730",
"created_at": "2022-09-04T14:47:55.313241Z",
"structure_string": "Mo1 N1\n1.0\n0.000000 2.178464 2.178464\n2.178464 0.000000 2.178464\n2.178464 2.178464 0.000000\nMo N\n1 1\ndirect\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mo",
"N"
],
"chemical_system": "Mo-N",
"density": 8.829785189721948,
"density_atomic": 0.09672724931524956,
"volume": 20.67669673394392,
"volume_molar": 6.225898909182129,
"formula_full": "Mo1 N1",
"formula_reduced": "MoN",
"formula_anonymous": "AB",
"energy": -19.47524726,
"energy_per_atom": -9.73762363,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.11424726,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010428,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.374000Z",
"spacegroup": 225
},
{
"id": "mp-1009652",
"created_at": "2022-09-04T14:41:14.351846Z",
"structure_string": "Rh1 C1\n1.0\n0.000000 2.177894 2.177894\n2.177894 0.000000 2.177894\n2.177894 2.177894 0.000000\nRh C\n1 1\ndirect\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rh",
"C"
],
"chemical_system": "C-Rh",
"density": 9.236132252425882,
"density_atomic": 0.09680321577167718,
"volume": 20.660470667805676,
"volume_molar": 6.22101312646885,
"formula_full": "Rh1 C1",
"formula_reduced": "RhC",
"formula_anonymous": "AB",
"energy": -14.38955277,
"energy_per_atom": -7.194776385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.38955277,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.384544,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.302000Z",
"spacegroup": 225
},
{
"id": "mp-1009720",
"created_at": "2022-09-04T14:43:18.162036Z",
"structure_string": "Rh1 N1\n1.0\n0.000000 2.176703 2.176703\n2.176703 0.000000 2.176703\n2.176703 2.176703 0.000000\nRh N\n1 1\ndirect\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rh",
"N"
],
"chemical_system": "N-Rh",
"density": 9.411988920822578,
"density_atomic": 0.0969622026312764,
"volume": 20.62659413385556,
"volume_molar": 6.210812663673423,
"formula_full": "Rh1 N1",
"formula_reduced": "RhN",
"formula_anonymous": "AB",
"energy": -14.13903804,
"energy_per_atom": -7.06951902,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.77803804,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0078388,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.325000Z",
"spacegroup": 225
},
{
"id": "mp-13036",
"created_at": "2022-09-04T14:39:59.588002Z",
"structure_string": "Mo1 N1\n1.0\n1.442922 -2.499214 0.000000\n1.442922 2.499214 0.000000\n0.000000 0.000000 2.856080\nMo N\n1 1\ndirect\n0.000000 0.000000 0.000000 Mo\n0.666667 0.333333 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mo",
"N"
],
"chemical_system": "Mo-N",
"density": 8.86307924579413,
"density_atomic": 0.09709197420868851,
"volume": 20.599024958553425,
"volume_molar": 6.202511390958094,
"formula_full": "Mo1 N1",
"formula_reduced": "MoN",
"formula_anonymous": "AB",
"energy": -20.09749916,
"energy_per_atom": -10.04874958,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.73649916,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004514,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.162000Z",
"spacegroup": 187
},
{
"id": "mp-7142",
"created_at": "2022-09-04T14:44:15.328026Z",
"structure_string": "Os1 C1\n1.0\n1.473934 -2.552929 0.000000\n1.473934 2.552929 0.000000\n0.000000 0.000000 2.730268\nOs C\n1 1\ndirect\n0.000000 0.000000 0.000000 Os\n0.666667 0.333333 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Os",
"C"
],
"chemical_system": "C-Os",
"density": 16.344273040301225,
"density_atomic": 0.09733699784720046,
"volume": 20.547171622650602,
"volume_molar": 6.186897986573976,
"formula_full": "Os1 C1",
"formula_reduced": "OsC",
"formula_anonymous": "AB",
"energy": -18.6238624,
"energy_per_atom": -9.3119312,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.6238624,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007381,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:32.359000Z",
"spacegroup": 187
},
{
"id": "mp-1002197",
"created_at": "2022-09-04T14:40:53.346580Z",
"structure_string": "Ru1 N1\n1.0\n1.474198 -2.553386 0.000000\n1.474198 2.553386 0.000000\n0.000000 0.000000 2.729227\nRu N\n1 1\ndirect\n0.666667 0.333333 0.000000 Ru\n0.000000 0.000000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ru",
"N"
],
"chemical_system": "N-Ru",
"density": 9.300248470398586,
"density_atomic": 0.0973392622678091,
"volume": 20.546693630134655,
"volume_molar": 6.186754059663314,
"formula_full": "Ru1 N1",
"formula_reduced": "RuN",
"formula_anonymous": "AB",
"energy": -16.14590588,
"energy_per_atom": -8.07295294,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.78490588,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0337296,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.410000Z",
"spacegroup": 187
},
{
"id": "mp-136",
"created_at": "2022-09-04T14:39:36.079400Z",
"structure_string": "Fe2\n1.0\n1.232878 -2.135407 0.000000\n1.232878 2.135407 0.000000\n0.000000 0.000000 3.900192\nFe\n2\ndirect\n0.333333 0.666667 0.250000 Fe\n0.666667 0.333333 0.750000 Fe\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 9.03122455085898,
"density_atomic": 0.09738974930474643,
"volume": 20.536042183882355,
"volume_molar": 6.183546834231867,
"formula_full": "Fe2",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"energy": -16.74443058,
"energy_per_atom": -8.37221529,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.74443058,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0173598,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.613000Z",
"spacegroup": 194
},
{
"id": "mp-10",
"created_at": "2022-09-04T14:47:27.019791Z",
"structure_string": "As1\n1.0\n2.737511 0.000000 0.000000\n0.000000 2.737511 0.000000\n0.000000 0.000000 2.737511\nAs\n1\ndirect\n0.500000 0.500000 0.500000 As\n",
"nsites": 1,
"nelements": 1,
"elements": [
"As"
],
"chemical_system": "As",
"density": 6.064409536915891,
"density_atomic": 0.048745258870892635,
"volume": 20.514815659274962,
"volume_molar": 12.354310756560603,
"formula_full": "As1",
"formula_reduced": "As",
"formula_anonymous": "A",
"energy": -4.5467212,
"energy_per_atom": -4.5467212,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.5467212,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000195,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.306000Z",
"spacegroup": 221
},
{
"id": "mp-1220318",
"created_at": "2022-09-04T14:42:55.231918Z",
"structure_string": "Nb1 H1\n1.0\n-1.606964 1.606964 -1.984301\n1.606964 -1.606964 -1.984301\n-1.606964 -1.606964 -1.984301\nNb H\n1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.000000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nb",
"H"
],
"chemical_system": "H-Nb",
"density": 7.608535617205704,
"density_atomic": 0.09757760580094821,
"volume": 20.496506176631,
"volume_molar": 6.171642264194066,
"formula_full": "Nb1 H1",
"formula_reduced": "NbH",
"formula_anonymous": "AB",
"energy": -13.89652201,
"energy_per_atom": -6.948261005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.71752201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008384,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.719000Z",
"spacegroup": 139
},
{
"id": "mp-119",
"created_at": "2022-09-04T14:43:00.408254Z",
"structure_string": "Se1\n1.0\n-1.723875 1.723875 1.723875\n1.723875 -1.723875 1.723875\n1.723875 1.723875 -1.723875\nSe\n1\ndirect\n0.000000 0.000000 0.000000 Se\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Se"
],
"chemical_system": "Se",
"density": 6.398511154134527,
"density_atomic": 0.04880032274309051,
"volume": 20.49166775524219,
"volume_molar": 12.34037076292217,
"formula_full": "Se1",
"formula_reduced": "Se",
"formula_anonymous": "A",
"energy": -2.90028467,
"energy_per_atom": -2.90028467,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.90028467,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026801,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:57.071000Z",
"spacegroup": 229
},
{
"id": "mp-1009646",
"created_at": "2022-09-04T14:40:25.731755Z",
"structure_string": "Re1 N1\n1.0\n1.396993 -2.419663 0.000000\n1.396993 2.419663 0.000000\n0.000000 0.000000 3.030202\nRe N\n1 1\ndirect\n0.000000 0.000000 0.000000 Re\n0.666667 0.333333 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Re",
"N"
],
"chemical_system": "N-Re",
"density": 16.22901640782547,
"density_atomic": 0.09762910453984829,
"volume": 20.485694398473974,
"volume_molar": 6.168386761697691,
"formula_full": "Re1 N1",
"formula_reduced": "ReN",
"formula_anonymous": "AB",
"energy": -19.81705192,
"energy_per_atom": -9.90852596,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.45605192,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003249,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.860000Z",
"spacegroup": 187
},
{
"id": "mp-1009837",
"created_at": "2022-09-04T14:43:50.463752Z",
"structure_string": "Tc1 C1\n1.0\n0.000000 2.170000 2.170000\n2.170000 0.000000 2.170000\n2.170000 2.170000 0.000000\nTc C\n1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tc",
"C"
],
"chemical_system": "C-Tc",
"density": 8.938709603728746,
"density_atomic": 0.09786351230384115,
"volume": 20.436626,
"volume_molar": 6.153611921573788,
"formula_full": "Tc1 C1",
"formula_reduced": "TcC",
"formula_anonymous": "AB",
"energy": -18.28806143,
"energy_per_atom": -9.144030715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.28806143,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4283744,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.646000Z",
"spacegroup": 225
}
]
}