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_per_atom&page=99",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=97",
"results": [
{
"id": "mp-1224363",
"created_at": "2022-09-04T14:40:18.203834Z",
"structure_string": "Hf1 Nb4 C1 N4\n1.0\n-1.587697 1.587697 11.156753\n1.587697 -1.587697 11.156753\n1.587697 1.587697 -11.156753\nHf Nb C N\n1 4 1 4\ndirect\n0.000000 0.000000 0.000000 Hf\n0.400528 0.400528 0.000000 Nb\n0.799514 0.799514 0.000000 Nb\n0.200486 0.200486 0.000000 Nb\n0.599472 0.599472 0.000000 Nb\n0.500000 0.500000 0.000000 C\n0.899675 0.899675 0.000000 N\n0.299601 0.299601 0.000000 N\n0.700399 0.700399 0.000000 N\n0.100325 0.100325 0.000000 N\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Hf",
"Nb",
"C",
"N"
],
"chemical_system": "C-Hf-N-Nb",
"density": 9.124562174937227,
"density_atomic": 0.08889287285182729,
"volume": 112.4949580228854,
"volume_molar": 6.774604720041071,
"formula_full": "Hf1 Nb4 C1 N4",
"formula_reduced": "HfNb4CN4",
"formula_anonymous": "ABC4D4",
"energy": -103.48589981,
"energy_per_atom": -10.348589981,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.04189981,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030858,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.348000Z",
"spacegroup": 139
},
{
"id": "mp-1221525",
"created_at": "2022-09-04T14:40:43.268104Z",
"structure_string": "Mo2 N1\n1.0\n5.071248 -1.453493 0.000000\n5.071248 1.453493 0.000000\n4.654656 0.000000 2.482816\nMo N\n2 1\ndirect\n0.756956 0.756956 0.756956 Mo\n0.243044 0.243044 0.243044 Mo\n0.000000 0.000000 0.000000 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mo",
"N"
],
"chemical_system": "Mo-N",
"density": 9.34060625269432,
"density_atomic": 0.08196320450553671,
"volume": 36.60179001172833,
"volume_molar": 7.347371050619669,
"formula_full": "Mo2 N1",
"formula_reduced": "Mo2N",
"formula_anonymous": "AB2",
"energy": -31.04533995,
"energy_per_atom": -10.34844665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.68433995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014973,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.274000Z",
"spacegroup": 166
},
{
"id": "mp-1215167",
"created_at": "2022-09-04T14:39:07.328636Z",
"structure_string": "Zr1 W1 C2\n1.0\n5.333833 -1.600973 0.000000\n5.333833 1.600973 0.000000\n4.853294 0.000000 2.731011\nZr W C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 W\n0.243578 0.243578 0.243578 C\n0.756422 0.756422 0.756422 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"W",
"C"
],
"chemical_system": "C-W-Zr",
"density": 10.647985325421931,
"density_atomic": 0.08575967461101752,
"volume": 46.64196801285579,
"volume_molar": 7.022112417420876,
"formula_full": "Zr1 W1 C2",
"formula_reduced": "ZrWC2",
"formula_anonymous": "ABC2",
"energy": -41.3852594,
"energy_per_atom": -10.34631485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.3852594,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0042224,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.474000Z",
"spacegroup": 166
},
{
"id": "mp-7234",
"created_at": "2022-09-04T14:41:04.121455Z",
"structure_string": "Nb10 N12\n1.0\n2.630285 -4.555788 0.000000\n2.630285 4.555788 0.000000\n0.000000 0.000000 10.474606\nNb N\n10 12\ndirect\n0.333333 0.666667 0.500000 Nb\n0.666667 0.333333 0.000000 Nb\n0.666667 0.333333 0.500000 Nb\n0.333333 0.666667 0.000000 Nb\n0.674978 0.000000 0.750000 Nb\n0.674978 0.674978 0.250000 Nb\n0.000000 0.325022 0.250000 Nb\n0.000000 0.674978 0.750000 Nb\n0.325022 0.325022 0.750000 Nb\n0.325022 0.000000 0.250000 Nb\n0.339343 0.339343 0.377476 N\n0.660657 0.000000 0.377476 N\n0.000000 0.660657 0.377476 N\n0.000000 0.339343 0.877476 N\n0.660657 0.000000 0.122524 N\n0.660657 0.660657 0.877476 N\n0.339343 0.000000 0.877476 N\n0.660657 0.660657 0.622524 N\n0.000000 0.339343 0.622524 N\n0.000000 0.660657 0.122524 N\n0.339343 0.000000 0.622524 N\n0.339343 0.339343 0.122524 N\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Nb",
"N"
],
"chemical_system": "N-Nb",
"density": 7.257362272865128,
"density_atomic": 0.08763723653731546,
"volume": 251.0348439687794,
"volume_molar": 6.8716689365664845,
"formula_full": "Nb10 N12",
"formula_reduced": "Nb5N6",
"formula_anonymous": "A5B6",
"energy": -227.61312807,
"energy_per_atom": -10.34605127590909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -223.28112807,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0191097,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.035000Z",
"spacegroup": 193
},
{
"id": "mp-1007786",
"created_at": "2022-09-04T14:41:00.891386Z",
"structure_string": "Hf2 Ir2\n1.0\n4.482867 0.000000 0.000000\n0.000000 3.169103 0.000000\n0.000000 1.673703 5.086373\nHf Ir\n2 2\ndirect\n0.750000 0.649113 0.213328 Hf\n0.250000 0.350887 0.786672 Hf\n0.750000 0.902957 0.684062 Ir\n0.250000 0.097043 0.315938 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Ir"
],
"chemical_system": "Hf-Ir",
"density": 17.03764111781878,
"density_atomic": 0.055355346980405486,
"volume": 72.26040876260622,
"volume_molar": 10.879058823588801,
"formula_full": "Hf2 Ir2",
"formula_reduced": "HfIr",
"formula_anonymous": "AB",
"energy": -41.38319548,
"energy_per_atom": -10.34579887,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.38319548,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002612,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.133000Z",
"spacegroup": 11
},
{
"id": "mp-1213095",
"created_at": "2022-09-04T14:43:16.633872Z",
"structure_string": "Eu6 Ta2 O14\n1.0\n3.790330 -5.422904 0.000000\n3.790330 5.422904 0.000000\n0.000000 0.000000 7.717820\nEu Ta O\n6 2 14\ndirect\n0.002724 0.469610 0.748303 Eu\n0.997276 0.530390 0.248303 Eu\n0.530390 0.997276 0.751697 Eu\n0.469610 0.002724 0.251697 Eu\n0.508239 0.508239 0.500000 Eu\n0.491761 0.491761 0.000000 Eu\n0.999988 0.999988 0.500000 Ta\n0.000012 0.000012 0.000000 Ta\n0.637929 0.362071 0.750000 O\n0.362071 0.637929 0.250000 O\n0.945332 0.054668 0.750000 O\n0.054668 0.945332 0.250000 O\n0.923171 0.678503 0.526735 O\n0.076829 0.321497 0.026735 O\n0.321497 0.076829 0.973265 O\n0.678503 0.923171 0.473265 O\n0.372159 0.627841 0.750000 O\n0.627841 0.372159 0.250000 O\n0.936054 0.686950 0.967360 O\n0.063946 0.313050 0.467360 O\n0.313050 0.063946 0.532640 O\n0.686950 0.936054 0.032640 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Eu",
"Ta",
"O"
],
"chemical_system": "Eu-O-Ta",
"density": 7.838483382675845,
"density_atomic": 0.06934084033078994,
"volume": 317.2733398535289,
"volume_molar": 8.684839599969404,
"formula_full": "Eu6 Ta2 O14",
"formula_reduced": "Eu3TaO7",
"formula_anonymous": "AB3C7",
"energy": -227.59696211,
"energy_per_atom": -10.345316459545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -217.97896211,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 36.0000776,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.488000Z",
"spacegroup": 20
},
{
"id": "mp-1189573",
"created_at": "2022-09-04T14:47:23.877561Z",
"structure_string": "Hf10 Ir6\n1.0\n3.986714 -6.905192 0.000000\n3.986714 6.905192 0.000000\n0.000000 0.000000 5.527256\nHf Ir\n10 6\ndirect\n0.666667 0.333333 0.000000 Hf\n0.333333 0.666667 0.000000 Hf\n0.333333 0.666667 0.500000 Hf\n0.666667 0.333333 0.500000 Hf\n0.759625 0.759625 0.750000 Hf\n0.240375 0.000000 0.750000 Hf\n0.000000 0.240375 0.750000 Hf\n0.240375 0.240375 0.250000 Hf\n0.759625 0.000000 0.250000 Hf\n0.000000 0.759625 0.250000 Hf\n0.399051 0.399051 0.750000 Ir\n0.600949 0.000000 0.750000 Ir\n0.000000 0.600949 0.750000 Ir\n0.600949 0.600949 0.250000 Ir\n0.399051 0.000000 0.250000 Ir\n0.000000 0.399051 0.250000 Ir\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Hf",
"Ir"
],
"chemical_system": "Hf-Ir",
"density": 16.03246616557024,
"density_atomic": 0.05257624520703042,
"volume": 304.31994405451576,
"volume_molar": 11.454109619822617,
"formula_full": "Hf10 Ir6",
"formula_reduced": "Hf5Ir3",
"formula_anonymous": "A3B5",
"energy": -165.51384138,
"energy_per_atom": -10.34461508625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -165.51384138,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0463295,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:00.782000Z",
"spacegroup": 193
},
{
"id": "mp-5957",
"created_at": "2022-09-04T14:47:05.729049Z",
"structure_string": "Eu2 Ta2 O8\n1.0\n5.687741 0.000000 0.000000\n0.000000 5.258577 0.000000\n0.000000 0.637763 5.392291\nEu Ta O\n2 2 8\ndirect\n0.778051 0.000000 0.750000 Eu\n0.221949 0.000000 0.250000 Eu\n0.679170 0.500000 0.250000 Ta\n0.320830 0.500000 0.750000 Ta\n0.569710 0.280363 0.993189 O\n0.569710 0.719637 0.506811 O\n0.430290 0.719637 0.006811 O\n0.430290 0.280363 0.493189 O\n0.099556 0.746785 0.612745 O\n0.099556 0.253215 0.887255 O\n0.900444 0.253215 0.387255 O\n0.900444 0.746785 0.112745 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Eu",
"Ta",
"O"
],
"chemical_system": "Eu-O-Ta",
"density": 8.173144821736894,
"density_atomic": 0.07440461525692058,
"volume": 161.28031787495667,
"volume_molar": 8.093773133837777,
"formula_full": "Eu2 Ta2 O8",
"formula_reduced": "EuTaO4",
"formula_anonymous": "ABC4",
"energy": -124.11646605,
"energy_per_atom": -10.3430388375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.62046605,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9999991,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:53.104000Z",
"spacegroup": 13
},
{
"id": "mp-1100774",
"created_at": "2022-09-04T14:43:40.952505Z",
"structure_string": "U3 N1\n1.0\n4.031553 0.000000 0.000000\n0.000000 4.031553 0.000000\n0.000000 0.000000 4.031553\nU N\n3 1\ndirect\n0.000000 0.500000 0.500000 U\n0.500000 0.000000 0.500000 U\n0.500000 0.500000 0.000000 U\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"N"
],
"chemical_system": "N-U",
"density": 18.450965170044782,
"density_atomic": 0.06104398412179918,
"volume": 65.52652251561634,
"volume_molar": 9.865248552558771,
"formula_full": "U3 N1",
"formula_reduced": "U3N",
"formula_anonymous": "AB3",
"energy": -41.3620035,
"energy_per_atom": -10.340500875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.0010035,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8938299,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.642000Z",
"spacegroup": 221
},
{
"id": "mp-542632",
"created_at": "2022-09-04T14:43:22.676068Z",
"structure_string": "Gd2 Ni2\n1.0\n1.883914 -5.211528 0.000000\n1.883914 5.211528 0.000000\n0.000000 0.000000 4.238835\nGd Ni\n2 2\ndirect\n0.860821 0.139179 0.250000 Gd\n0.139179 0.860821 0.750000 Gd\n0.427740 0.572260 0.750000 Ni\n0.572260 0.427740 0.250000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Gd",
"Ni"
],
"chemical_system": "Gd-Ni",
"density": 8.616211914976377,
"density_atomic": 0.04805707512978706,
"volume": 83.23436224941399,
"volume_molar": 12.531226138370032,
"formula_full": "Gd2 Ni2",
"formula_reduced": "GdNi",
"formula_anonymous": "AB",
"energy": -41.35347358,
"energy_per_atom": -10.338368395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.35347358,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.5306692,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:18.101000Z",
"spacegroup": 63
},
{
"id": "mp-1036",
"created_at": "2022-09-04T14:48:03.646378Z",
"structure_string": "Np2 Ru4\n1.0\n0.000000 3.698628 3.698628\n3.698628 0.000000 3.698628\n3.698628 3.698628 0.000000\nNp Ru\n2 4\ndirect\n0.500000 0.500000 0.500000 Np\n0.750000 0.750000 0.750000 Np\n0.125000 0.125000 0.125000 Ru\n0.625000 0.125000 0.125000 Ru\n0.125000 0.625000 0.125000 Ru\n0.125000 0.125000 0.625000 Ru\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Np",
"Ru"
],
"chemical_system": "Np-Ru",
"density": 14.41219520187546,
"density_atomic": 0.05929243625924593,
"volume": 101.19334570375953,
"volume_molar": 10.15667619672302,
"formula_full": "Np2 Ru4",
"formula_reduced": "NpRu2",
"formula_anonymous": "AB2",
"energy": -62.02369729,
"energy_per_atom": -10.337282881666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.02369729,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1806523,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:15.879000Z",
"spacegroup": 227
},
{
"id": "mp-4271",
"created_at": "2022-09-04T14:39:06.033944Z",
"structure_string": "Eu2 Ta2 O8\n1.0\n5.632070 3.581244 0.000000\n-5.632070 3.581244 0.000000\n0.000000 3.292252 3.958528\nEu Ta O\n2 2 8\ndirect\n0.633354 0.366646 0.750000 Eu\n0.366646 0.633354 0.250000 Eu\n0.097456 0.902544 0.750000 Ta\n0.902544 0.097456 0.250000 Ta\n0.796064 0.735594 0.205760 O\n0.264406 0.203936 0.294240 O\n0.203936 0.264406 0.794240 O\n0.735594 0.796064 0.705760 O\n0.359184 0.944395 0.837744 O\n0.055605 0.640816 0.662256 O\n0.640816 0.055605 0.162256 O\n0.944395 0.359184 0.337744 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Eu",
"Ta",
"O"
],
"chemical_system": "Eu-O-Ta",
"density": 8.254768392514315,
"density_atomic": 0.07514767934204947,
"volume": 159.68556986809446,
"volume_molar": 8.01374149238733,
"formula_full": "Eu2 Ta2 O8",
"formula_reduced": "EuTaO4",
"formula_anonymous": "ABC4",
"energy": -124.02357175999998,
"energy_per_atom": -10.335297646666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.52757176,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000001,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.330000Z",
"spacegroup": 15
}
]
}