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=12098",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=12096",
"results": [
{
"id": "mp-27710",
"created_at": "2022-09-04T14:39:23.038564Z",
"structure_string": "Cr1 B4\n1.0\n-1.426493 2.374709 2.744175\n1.426493 -2.374709 2.744175\n1.426493 2.374709 -2.744175\nCr B\n1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.537472 0.342198 0.195274 B\n0.146924 0.342198 0.804726 B\n0.853076 0.657802 0.195274 B\n0.462528 0.657802 0.804726 B\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Cr",
"B"
],
"chemical_system": "B-Cr",
"density": 4.253212703060286,
"density_atomic": 0.13446775879540543,
"volume": 37.18363453656999,
"volume_molar": 4.478501622952437,
"formula_full": "Cr1 B4",
"formula_reduced": "CrB4",
"formula_anonymous": "AB4",
"energy": -37.8857533,
"energy_per_atom": -7.577150659999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.8857533,
"band_gap": 0.1306000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003135,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:39.365000Z",
"spacegroup": 71
},
{
"id": "mp-988940",
"created_at": "2022-09-04T14:45:14.515678Z",
"structure_string": "Al1 As1\n1.0\n0.000000 2.648456 2.648456\n2.648456 0.000000 2.648456\n2.648456 2.648456 0.000000\nAl As\n1 1\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"As"
],
"chemical_system": "Al-As",
"density": 4.554370687206563,
"density_atomic": 0.05382966950353394,
"volume": 37.1542314572208,
"volume_molar": 11.18740058325018,
"formula_full": "Al1 As1",
"formula_reduced": "AlAs",
"formula_anonymous": "AB",
"energy": -8.82215079,
"energy_per_atom": -4.411075395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.82215079,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002498,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.645000Z",
"spacegroup": 225
},
{
"id": "mp-1220954",
"created_at": "2022-09-04T14:45:53.484181Z",
"structure_string": "Na1 O2\n1.0\n2.533125 -2.214271 0.000000\n2.533125 2.214271 0.000000\n0.597572 0.000000 3.310986\nNa O\n1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.396467 0.396467 0.396467 O\n0.603533 0.603533 0.603533 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Na",
"O"
],
"chemical_system": "Na-O",
"density": 2.4583673777899806,
"density_atomic": 0.08076933763401704,
"volume": 37.1428079996599,
"volume_molar": 7.455973933186866,
"formula_full": "Na1 O2",
"formula_reduced": "NaO2",
"formula_anonymous": "AB2",
"energy": -13.613431039999998,
"energy_per_atom": -4.537810346666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.29143104,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9998419,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.794000Z",
"spacegroup": 166
},
{
"id": "mp-13099",
"created_at": "2022-09-04T14:43:11.108923Z",
"structure_string": "Y1 N1\n1.0\n0.000000 2.647993 2.647993\n2.647993 0.000000 2.647993\n2.647993 2.647993 0.000000\nY N\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"N"
],
"chemical_system": "N-Y",
"density": 4.601897519978835,
"density_atomic": 0.053857910697936405,
"volume": 37.13474908481051,
"volume_molar": 11.181534303800502,
"formula_full": "Y1 N1",
"formula_reduced": "YN",
"formula_anonymous": "AB",
"energy": -18.04223826,
"energy_per_atom": -9.02111913,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.68123826,
"band_gap": 2.0687,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.219000Z",
"spacegroup": 216
},
{
"id": "mp-972822",
"created_at": "2022-09-04T14:47:43.293226Z",
"structure_string": "Si1 B1 O3\n1.0\n3.336259 0.000000 0.000000\n0.000000 3.336259 0.000000\n0.000000 0.000000 3.336259\nSi B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 B\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": [
"Si",
"B",
"O"
],
"chemical_system": "B-O-Si",
"density": 3.885644914566695,
"density_atomic": 0.13464515457781268,
"volume": 37.13464487955602,
"volume_molar": 4.4726011707459925,
"formula_full": "Si1 B1 O3",
"formula_reduced": "SiBO3",
"formula_anonymous": "ABC3",
"energy": -31.89291699,
"energy_per_atom": -6.378583398,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.83191699,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001585,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.533000Z",
"spacegroup": 221
},
{
"id": "mp-2696",
"created_at": "2022-09-04T14:42:52.190879Z",
"structure_string": "Mg1 Ag1\n1.0\n3.335294 0.000000 0.000000\n0.000000 3.335294 0.000000\n0.000000 0.000000 3.335294\nMg Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Ag"
],
"chemical_system": "Ag-Mg",
"density": 5.91548197764998,
"density_atomic": 0.05390482358747794,
"volume": 37.1024310422676,
"volume_molar": 11.171803113736448,
"formula_full": "Mg1 Ag1",
"formula_reduced": "MgAg",
"formula_anonymous": "AB",
"energy": -4.93424514,
"energy_per_atom": -2.46712257,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.93424514,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010003,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:05.787000Z",
"spacegroup": 221
},
{
"id": "mp-1096803",
"created_at": "2022-09-04T14:41:45.089033Z",
"structure_string": "Mg1 O2\n1.0\n1.546620 3.058608 0.000000\n-1.546620 3.058608 0.000000\n0.000000 0.338544 3.920821\nMg O\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.313116 0.313116 0.795054 O\n0.686884 0.686884 0.204946 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"O"
],
"chemical_system": "Mg-O",
"density": 2.5204167140770166,
"density_atomic": 0.08087360479012305,
"volume": 37.094921238955145,
"volume_molar": 7.446361239403383,
"formula_full": "Mg1 O2",
"formula_reduced": "MgO2",
"formula_anonymous": "AB2",
"energy": -15.98172414,
"energy_per_atom": -5.32724138,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.60772414,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999212,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.274000Z",
"spacegroup": 12
},
{
"id": "mp-974920",
"created_at": "2022-09-04T14:40:05.491017Z",
"structure_string": "Na1\n1.0\n-1.835922 1.835922 2.748327\n1.835922 -1.835922 2.748327\n1.835922 1.835922 -2.748327\nNa\n1\ndirect\n0.000000 0.000000 0.000000 Na\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.0302600564047593,
"density_atomic": 0.026987530869292384,
"volume": 37.05414937154716,
"volume_molar": 22.314530325752255,
"formula_full": "Na1",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -1.31001461,
"energy_per_atom": -1.31001461,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.31001461,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0070025,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.212000Z",
"spacegroup": 139
},
{
"id": "mp-156",
"created_at": "2022-09-04T14:46:08.447826Z",
"structure_string": "La1\n1.0\n0.000000 2.645517 2.645517\n2.645517 0.000000 2.645517\n2.645517 2.645517 0.000000\nLa\n1\ndirect\n0.000000 0.000000 0.000000 La\n",
"nsites": 1,
"nelements": 1,
"elements": [
"La"
],
"chemical_system": "La",
"density": 6.228834332771718,
"density_atomic": 0.027004636416143247,
"volume": 37.0306781617028,
"volume_molar": 22.300395632803234,
"formula_full": "La1",
"formula_reduced": "La",
"formula_anonymous": "A",
"energy": -4.93534111,
"energy_per_atom": -4.93534111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.93534111,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000722,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:28.414000Z",
"spacegroup": 225
},
{
"id": "mp-1213965",
"created_at": "2022-09-04T14:46:03.359732Z",
"structure_string": "Ca1 C1\n1.0\n0.000000 2.645466 2.645466\n2.645466 0.000000 2.645466\n2.645466 2.645466 0.000000\nCa C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"C"
],
"chemical_system": "C-Ca",
"density": 2.335909794490607,
"density_atomic": 0.054012396508058086,
"volume": 37.028536582368105,
"volume_molar": 11.149552971791504,
"formula_full": "Ca1 C1",
"formula_reduced": "CaC",
"formula_anonymous": "AB",
"energy": -8.96196847,
"energy_per_atom": -4.480984235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.96196847,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9690761,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.425000Z",
"spacegroup": 225
},
{
"id": "mp-1224858",
"created_at": "2022-09-04T14:40:12.408825Z",
"structure_string": "Ga1 Ni2\n1.0\n1.352721 -2.342982 0.000000\n1.352721 2.342982 0.000000\n0.000000 0.000000 5.839605\nGa Ni\n1 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.666667 0.333333 0.668695 Ni\n0.333333 0.666667 0.331305 Ni\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni",
"density": 8.39372971175109,
"density_atomic": 0.08104581669644403,
"volume": 37.01609931622329,
"volume_molar": 7.430538682281213,
"formula_full": "Ga1 Ni2",
"formula_reduced": "GaNi2",
"formula_anonymous": "AB2",
"energy": -14.897916080000002,
"energy_per_atom": -4.965972026666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.897916080000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0221637,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.276000Z",
"spacegroup": 164
},
{
"id": "mp-11495",
"created_at": "2022-09-04T14:48:05.824109Z",
"structure_string": "Lu1 Ru1\n1.0\n3.332703 0.000000 0.000000\n0.000000 3.332703 0.000000\n0.000000 0.000000 3.332703\nLu Ru\n1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Lu",
"Ru"
],
"chemical_system": "Lu-Ru",
"density": 12.383019561505579,
"density_atomic": 0.054030645789506955,
"volume": 37.01602989887659,
"volume_molar": 11.145787121370168,
"formula_full": "Lu1 Ru1",
"formula_reduced": "LuRu",
"formula_anonymous": "AB",
"energy": -14.73301107,
"energy_per_atom": -7.366505535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.73301107,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019987,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:24.461000Z",
"spacegroup": 221
}
]
}