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=12118",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=12116",
"results": [
{
"id": "mp-1220332",
"created_at": "2022-09-04T14:47:14.385215Z",
"structure_string": "Nb1 Pd1\n1.0\n4.768674 -1.437047 0.000000\n4.768674 1.437047 0.000000\n4.335617 0.000000 2.451076\nNb Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nb",
"Pd"
],
"chemical_system": "Nb-Pd",
"density": 9.852773463980851,
"density_atomic": 0.059535309573163685,
"volume": 33.59350970607073,
"volume_molar": 10.11524220361921,
"formula_full": "Nb1 Pd1",
"formula_reduced": "NbPd",
"formula_anonymous": "AB",
"energy": -15.53236472,
"energy_per_atom": -7.76618236,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.53236472,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002222,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.261000Z",
"spacegroup": 166
},
{
"id": "mp-971648",
"created_at": "2022-09-04T14:42:22.832651Z",
"structure_string": "Ga1 P1\n1.0\n-1.440707 2.353825 2.476281\n1.440707 -2.353825 2.476281\n1.440707 2.353825 -2.476281\nGa P\n1 1\ndirect\n0.500000 0.623609 0.123609 Ga\n0.000000 0.956573 0.956573 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ga",
"P"
],
"chemical_system": "Ga-P",
"density": 4.977999502505609,
"density_atomic": 0.05954156444009308,
"volume": 33.58998069344101,
"volume_molar": 10.114179593079209,
"formula_full": "Ga1 P1",
"formula_reduced": "GaP",
"formula_anonymous": "AB",
"energy": -8.29717118,
"energy_per_atom": -4.14858559,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.29717118,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.89e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.301000Z",
"spacegroup": 44
},
{
"id": "mp-1219709",
"created_at": "2022-09-04T14:41:04.554086Z",
"structure_string": "Pt1 Au1\n1.0\n4.781492 -1.434480 0.000000\n4.781492 1.434480 0.000000\n4.351139 0.000000 2.447038\nPt Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pt",
"Au"
],
"chemical_system": "Au-Pt",
"density": 19.39378361642628,
"density_atomic": 0.05958011750645451,
"volume": 33.568245309072,
"volume_molar": 10.107634915872065,
"formula_full": "Pt1 Au1",
"formula_reduced": "PtAu",
"formula_anonymous": "AB",
"energy": -9.26323292,
"energy_per_atom": -4.63161646,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.26323292,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005362,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.384000Z",
"spacegroup": 166
},
{
"id": "mp-1186027",
"created_at": "2022-09-04T14:43:52.951642Z",
"structure_string": "Mo1 Se1\n1.0\n1.636943 -2.835268 0.000000\n1.636943 2.835268 0.000000\n0.000000 0.000000 3.616084\nMo Se\n1 1\ndirect\n0.666667 0.333333 0.500000 Mo\n0.333333 0.666667 0.000000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mo",
"Se"
],
"chemical_system": "Mo-Se",
"density": 8.6525223046713,
"density_atomic": 0.05958457091569713,
"volume": 33.56573638550973,
"volume_molar": 10.106879461329662,
"formula_full": "Mo1 Se1",
"formula_reduced": "MoSe",
"formula_anonymous": "AB",
"energy": -14.58424867,
"energy_per_atom": -7.292124335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.11224867,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038663,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.978000Z",
"spacegroup": 187
},
{
"id": "mp-12674",
"created_at": "2022-09-04T14:39:17.775065Z",
"structure_string": "Mn1 Au1\n1.0\n3.225519 0.000000 0.000000\n0.000000 3.225519 0.000000\n0.000000 0.000000 3.225519\nMn Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Au"
],
"chemical_system": "Au-Mn",
"density": 12.46483133695531,
"density_atomic": 0.05959793089517981,
"volume": 33.55821200433247,
"volume_molar": 10.104613817200592,
"formula_full": "Mn1 Au1",
"formula_reduced": "MnAu",
"formula_anonymous": "AB",
"energy": -12.45603175,
"energy_per_atom": -6.228015875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.45603175,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.073306,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:39.105000Z",
"spacegroup": 221
},
{
"id": "mp-1057216",
"created_at": "2022-09-04T14:45:35.067579Z",
"structure_string": "Li1 S1\n1.0\n-1.496248 1.496248 3.741988\n1.496248 -1.496248 3.741988\n1.496248 1.496248 -3.741988\nLi S\n1 1\ndirect\n0.500000 0.500000 0.000000 Li\n0.750000 0.250000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"S"
],
"chemical_system": "Li-S",
"density": 1.9329070331284806,
"density_atomic": 0.05968434719538693,
"volume": 33.509623443692156,
"volume_molar": 10.089983459625504,
"formula_full": "Li1 S1",
"formula_reduced": "LiS",
"formula_anonymous": "AB",
"energy": -7.79810934,
"energy_per_atom": -3.89905467,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.29510934,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003073,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:06.997000Z",
"spacegroup": 119
},
{
"id": "mp-10871",
"created_at": "2022-09-04T14:41:08.646556Z",
"structure_string": "Al1 Au1\n1.0\n3.223942 0.000000 0.000000\n0.000000 3.223942 0.000000\n0.000000 0.000000 3.223942\nAl Au\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"Au"
],
"chemical_system": "Al-Au",
"density": 11.097747367525407,
"density_atomic": 0.05968543115231329,
"volume": 33.50901486991242,
"volume_molar": 10.089800213777286,
"formula_full": "Al1 Au1",
"formula_reduced": "AlAu",
"formula_anonymous": "AB",
"energy": -7.50612548,
"energy_per_atom": -3.75306274,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.50612548,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.44e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.620000Z",
"spacegroup": 221
},
{
"id": "mp-260",
"created_at": "2022-09-04T14:42:27.709486Z",
"structure_string": "Cr2 B2\n1.0\n1.463308 -3.925437 0.000000\n1.463308 3.925437 0.000000\n0.000000 0.000000 2.916397\nCr B\n2 2\ndirect\n0.854533 0.145467 0.750000 Cr\n0.145467 0.854533 0.250000 Cr\n0.564426 0.435574 0.750000 B\n0.435574 0.564426 0.250000 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cr",
"B"
],
"chemical_system": "B-Cr",
"density": 6.225689217418206,
"density_atomic": 0.11938770237206656,
"volume": 33.50428830210816,
"volume_molar": 5.044188505472919,
"formula_full": "Cr2 B2",
"formula_reduced": "CrB",
"formula_anonymous": "AB",
"energy": -34.74558514,
"energy_per_atom": -8.686396285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.74558514,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0067794,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.583000Z",
"spacegroup": 63
},
{
"id": "mp-1018160",
"created_at": "2022-09-04T14:43:01.265472Z",
"structure_string": "Pm1 N1\n1.0\n0.000000 2.557339 2.557339\n2.557339 0.000000 2.557339\n2.557339 2.557339 0.000000\nPm N\n1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pm",
"N"
],
"chemical_system": "N-Pm",
"density": 7.89350013761704,
"density_atomic": 0.059790900552286835,
"volume": 33.44990594766189,
"volume_molar": 10.072002101279054,
"formula_full": "Pm1 N1",
"formula_reduced": "PmN",
"formula_anonymous": "AB",
"energy": -16.30909389,
"energy_per_atom": -8.154546945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.94809389,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.391000Z",
"spacegroup": 225
},
{
"id": "mp-1217896",
"created_at": "2022-09-04T14:43:50.904881Z",
"structure_string": "Ta1 Pd1\n1.0\n4.740757 -1.437984 0.000000\n4.740757 1.437984 0.000000\n4.304583 0.000000 2.452172\nTa Pd\n1 1\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"Pd"
],
"chemical_system": "Pd-Ta",
"density": 14.272651050043308,
"density_atomic": 0.05982012580628409,
"volume": 33.43356392256033,
"volume_molar": 10.067081402505803,
"formula_full": "Ta1 Pd1",
"formula_reduced": "TaPd",
"formula_anonymous": "AB",
"energy": -17.3272475,
"energy_per_atom": -8.66362375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.3272475,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018618,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.804000Z",
"spacegroup": 166
},
{
"id": "mp-1245401",
"created_at": "2022-09-04T14:47:20.304657Z",
"structure_string": "Mn1 Cr1 N2\n1.0\n2.755791 0.020302 0.001714\n1.338155 5.152221 0.259594\n-0.121269 14.944155 3.110960\nMn Cr N\n1 1 2\ndirect\n0.999976 0.750059 0.084261 Mn\n0.000117 0.749804 0.250324 Cr\n0.000083 0.749635 0.500905 N\n0.999825 0.750401 0.664511 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Cr",
"N"
],
"chemical_system": "Cr-Mn-N",
"density": 6.703104497957716,
"density_atomic": 0.11965253263300339,
"volume": 33.43013233383655,
"volume_molar": 5.033024063494776,
"formula_full": "Mn1 Cr1 N2",
"formula_reduced": "MnCrN2",
"formula_anonymous": "ABC2",
"energy": -36.81032392,
"energy_per_atom": -9.20258098,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.08832392,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5460637,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.417000Z",
"spacegroup": 160
},
{
"id": "mp-1215437",
"created_at": "2022-09-04T14:43:21.242319Z",
"structure_string": "Zn1 Ag1\n1.0\n1.551333 -2.380437 0.000000\n1.551333 2.380437 0.000000\n0.000000 0.000000 4.524637\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": 8.610236049105016,
"density_atomic": 0.059848674242722805,
"volume": 33.417615766872004,
"volume_molar": 10.062279300584928,
"formula_full": "Zn1 Ag1",
"formula_reduced": "ZnAg",
"formula_anonymous": "AB",
"energy": -4.12500864,
"energy_per_atom": -2.06250432,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.12500864,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018776,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.311000Z",
"spacegroup": 65
}
]
}