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=nsites&page=53",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=51",
"results": [
{
"id": "mp-11554",
"created_at": "2022-09-04T14:48:14.460595Z",
"structure_string": "Zr1 Pt1\n1.0\n3.360111 0.000000 0.000000\n0.000000 3.360111 0.000000\n0.000000 0.000000 3.360111\nZr Pt\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Pt"
],
"chemical_system": "Pt-Zr",
"density": 12.532038128389965,
"density_atomic": 0.05271923777535524,
"volume": 37.93681556099705,
"volume_molar": 11.423042164724128,
"formula_full": "Zr1 Pt1",
"formula_reduced": "ZrPt",
"formula_anonymous": "AB",
"energy": -16.43640662,
"energy_per_atom": -8.21820331,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.43640662,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012704,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:41.278000Z",
"spacegroup": 221
},
{
"id": "mp-1226533",
"created_at": "2022-09-04T14:41:22.758910Z",
"structure_string": "Ce1 Y1\n1.0\n1.759035 -3.046738 0.000000\n1.759035 3.046738 0.000000\n0.000000 0.000000 5.781522\nCe Y\n1 1\ndirect\n0.333333 0.666667 0.500000 Ce\n0.666667 0.333333 0.000000 Y\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"Y"
],
"chemical_system": "Ce-Y",
"density": 6.136832187949967,
"density_atomic": 0.03227366058662523,
"volume": 61.97003883807451,
"volume_molar": 18.659614839277577,
"formula_full": "Ce1 Y1",
"formula_reduced": "CeY",
"formula_anonymous": "AB",
"energy": -12.18061409,
"energy_per_atom": -6.090307045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.18061409,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1342337,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.353000Z",
"spacegroup": 187
},
{
"id": "mp-20023",
"created_at": "2022-09-04T14:44:42.429090Z",
"structure_string": "Pr1 In1\n1.0\n3.901648 0.000000 0.000000\n0.000000 3.901648 0.000000\n0.000000 0.000000 3.901648\nPr In\n1 1\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 In\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"In"
],
"chemical_system": "In-Pr",
"density": 7.149556985749898,
"density_atomic": 0.033673304617433814,
"volume": 59.3942300205526,
"volume_molar": 17.884020675779272,
"formula_full": "Pr1 In1",
"formula_reduced": "PrIn",
"formula_anonymous": "AB",
"energy": -8.50778487,
"energy_per_atom": -4.253892435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.50778487,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004081,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:42.949000Z",
"spacegroup": 221
},
{
"id": "mp-232",
"created_at": "2022-09-04T14:41:22.777239Z",
"structure_string": "Dy1 Rh1\n1.0\n3.430222 0.000000 0.000000\n0.000000 3.430222 0.000000\n0.000000 0.000000 3.430222\nDy Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Dy",
"Rh"
],
"chemical_system": "Dy-Rh",
"density": 10.919237996493843,
"density_atomic": 0.04955224230812895,
"volume": 40.361442930543305,
"volume_molar": 12.153114530221936,
"formula_full": "Dy1 Rh1",
"formula_reduced": "DyRh",
"formula_anonymous": "AB",
"energy": -13.73959784,
"energy_per_atom": -6.86979892,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.73959784,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002568,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:21.952000Z",
"spacegroup": 221
},
{
"id": "mp-2857",
"created_at": "2022-09-04T14:44:13.690130Z",
"structure_string": "Sc1 N1\n1.0\n0.000000 2.259155 2.259155\n2.259155 0.000000 2.259155\n2.259155 2.259155 0.000000\nSc N\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"N"
],
"chemical_system": "N-Sc",
"density": 4.245782373273551,
"density_atomic": 0.08672851568046605,
"volume": 23.060466148972292,
"volume_molar": 6.943668657016314,
"formula_full": "Sc1 N1",
"formula_reduced": "ScN",
"formula_anonymous": "AB",
"energy": -18.85545398,
"energy_per_atom": -9.42772699,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.49445398,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.98e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.564000Z",
"spacegroup": 225
},
{
"id": "mp-1941",
"created_at": "2022-09-04T14:44:10.860334Z",
"structure_string": "Ga1 Ni1\n1.0\n2.913578 0.000000 0.000000\n0.000000 2.913578 0.000000\n0.000000 0.000000 2.913578\nGa Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni",
"density": 8.62163515658008,
"density_atomic": 0.08086303698317747,
"volume": 24.73317939339917,
"volume_molar": 7.447334387469061,
"formula_full": "Ga1 Ni1",
"formula_reduced": "GaNi",
"formula_anonymous": "AB",
"energy": -9.53833705,
"energy_per_atom": -4.769168525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.53833705,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034942,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:31.620000Z",
"spacegroup": 221
},
{
"id": "mp-915",
"created_at": "2022-09-04T14:44:10.382946Z",
"structure_string": "Y1 Cd1\n1.0\n3.757206 0.000000 0.000000\n0.000000 3.757206 0.000000\n0.000000 0.000000 3.757206\nY Cd\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Cd"
],
"chemical_system": "Cd-Y",
"density": 6.302809809078987,
"density_atomic": 0.03770812812429691,
"volume": 53.0389626715869,
"volume_molar": 15.9704049486341,
"formula_full": "Y1 Cd1",
"formula_reduced": "YCd",
"formula_anonymous": "AB",
"energy": -8.10084168,
"energy_per_atom": -4.05042084,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.10084168,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0061284,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:31.712000Z",
"spacegroup": 221
},
{
"id": "mp-1183396",
"created_at": "2022-09-04T14:44:13.124667Z",
"structure_string": "Ba1 Th1\n1.0\n3.775789 0.000000 0.000000\n-1.887894 3.269922 0.000000\n0.000000 0.000000 6.509805\nBa Th\n1 1\ndirect\n0.666666 0.333332 0.750000 Ba\n0.333334 0.666668 0.250000 Th\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Th"
],
"chemical_system": "Ba-Th",
"density": 7.631182131128431,
"density_atomic": 0.024883811681989422,
"volume": 80.37353865073548,
"volume_molar": 24.20103815670148,
"formula_full": "Ba1 Th1",
"formula_reduced": "BaTh",
"formula_anonymous": "AB",
"energy": -8.44518858,
"energy_per_atom": -4.22259429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.44518858,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003576,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.974000Z",
"spacegroup": 187
},
{
"id": "mp-23299",
"created_at": "2022-09-04T14:44:13.346996Z",
"structure_string": "Rb1 Cl1\n1.0\n3.996379 0.000000 0.000000\n0.000000 3.996379 0.000000\n0.000000 0.000000 3.996379\nRb Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"Cl"
],
"chemical_system": "Cl-Rb",
"density": 3.145937604001693,
"density_atomic": 0.03133502107168067,
"volume": 63.82634929221475,
"volume_molar": 19.21856298173218,
"formula_full": "Rb1 Cl1",
"formula_reduced": "RbCl",
"formula_anonymous": "AB",
"energy": -7.19618276,
"energy_per_atom": -3.59809138,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.58218276,
"band_gap": 4.7794,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00241,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:21.580000Z",
"spacegroup": 221
},
{
"id": "mp-972",
"created_at": "2022-09-04T14:44:13.970742Z",
"structure_string": "Mn1 Se1\n1.0\n0.000000 2.705372 2.705372\n2.705372 0.000000 2.705372\n2.705372 2.705372 0.000000\nMn Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Se"
],
"chemical_system": "Mn-Se",
"density": 5.61451653626959,
"density_atomic": 0.05050321517755933,
"volume": 39.60143909587528,
"volume_molar": 11.924272026696404,
"formula_full": "Mn1 Se1",
"formula_reduced": "MnSe",
"formula_anonymous": "AB",
"energy": -13.81191667,
"energy_per_atom": -6.905958335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.33991667,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.7695077,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:30.219000Z",
"spacegroup": 225
},
{
"id": "mp-2384",
"created_at": "2022-09-04T14:44:17.197307Z",
"structure_string": "La1 P1\n1.0\n0.000000 3.025454 3.025454\n3.025454 0.000000 3.025454\n3.025454 3.025454 0.000000\nLa P\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"La",
"P"
],
"chemical_system": "La-P",
"density": 5.093164792301468,
"density_atomic": 0.036110070598523905,
"volume": 55.38621129369255,
"volume_molar": 16.67717802868591,
"formula_full": "La1 P1",
"formula_reduced": "LaP",
"formula_anonymous": "AB",
"energy": -13.48584123,
"energy_per_atom": -6.742920615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.48584123,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.9e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.579000Z",
"spacegroup": 225
},
{
"id": "mp-1219775",
"created_at": "2022-09-04T14:44:14.251460Z",
"structure_string": "Pu1 In1\n1.0\n1.736858 2.819738 0.000000\n-1.736858 2.819738 0.000000\n0.000000 1.706072 5.510041\nPu In\n1 1\ndirect\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 In\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"In"
],
"chemical_system": "In-Pu",
"density": 11.039907182143757,
"density_atomic": 0.03705715713881694,
"volume": 53.97068081903734,
"volume_molar": 16.250951840263745,
"formula_full": "Pu1 In1",
"formula_reduced": "PuIn",
"formula_anonymous": "AB",
"energy": -17.10306299,
"energy_per_atom": -8.551531495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.10306299,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0307934,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.932000Z",
"spacegroup": 12
}
]
}