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=-density&page=120",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=118",
"results": [
{
"id": "mp-865904",
"created_at": "2022-09-04T14:40:03.741932Z",
"structure_string": "Be1 Si1 Ir2\n1.0\n0.000000 2.893474 2.893474\n2.893474 0.000000 2.893474\n2.893474 2.893474 0.000000\nBe Si Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Si",
"Ir"
],
"chemical_system": "Be-Ir-Si",
"density": 14.447429052849703,
"density_atomic": 0.08256029629245402,
"volume": 48.449438527095,
"volume_molar": 7.294233463828329,
"formula_full": "Be1 Si1 Ir2",
"formula_reduced": "BeSiIr2",
"formula_anonymous": "ABC2",
"energy": -29.49403811,
"energy_per_atom": -7.3735095275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.49403811,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012556,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.267000Z",
"spacegroup": 225
},
{
"id": "mp-2596",
"created_at": "2022-09-04T14:44:30.054590Z",
"structure_string": "Np1 N1\n1.0\n0.000000 2.434336 2.434336\n2.434336 0.000000 2.434336\n2.434336 2.434336 0.000000\nNp N\n1 1\ndirect\n0.500000 0.500000 0.500000 Np\n0.000000 0.000000 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Np",
"N"
],
"chemical_system": "N-Np",
"density": 14.446506950142705,
"density_atomic": 0.06931998099982402,
"volume": 28.851710158505053,
"volume_molar": 8.687452987061967,
"formula_full": "Np1 N1",
"formula_reduced": "NpN",
"formula_anonymous": "AB",
"energy": -23.87303966,
"energy_per_atom": -11.93651983,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.51203966,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0561564,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:42.819000Z",
"spacegroup": 225
},
{
"id": "mp-569093",
"created_at": "2022-09-04T14:40:25.979166Z",
"structure_string": "U6 Si22 Pt46\n1.0\n0.000000 8.587933 8.587933\n8.587933 0.000000 8.587933\n8.587933 8.587933 0.000000\nU Si Pt\n6 22 46\ndirect\n0.384185 0.615815 0.384185 U\n0.615815 0.615815 0.384185 U\n0.384185 0.615815 0.615815 U\n0.615815 0.384185 0.615815 U\n0.384185 0.384185 0.615815 U\n0.615815 0.384185 0.384185 U\n0.382842 0.382842 0.382842 Si\n0.831856 0.168144 0.168144 Si\n0.165628 0.503116 0.165628 Si\n0.831856 0.168144 0.831856 Si\n0.148525 0.617158 0.617158 Si\n0.165628 0.165628 0.165628 Si\n0.496884 0.834372 0.834372 Si\n0.834372 0.834372 0.834372 Si\n0.851475 0.382842 0.382842 Si\n0.617158 0.148525 0.617158 Si\n0.382842 0.851475 0.382842 Si\n0.503116 0.165628 0.165628 Si\n0.382842 0.382842 0.851475 Si\n0.834372 0.834372 0.496884 Si\n0.831856 0.831856 0.168144 Si\n0.168144 0.168144 0.831856 Si\n0.617158 0.617158 0.148525 Si\n0.165628 0.165628 0.503116 Si\n0.834372 0.496884 0.834372 Si\n0.617158 0.617158 0.617158 Si\n0.168144 0.831856 0.831856 Si\n0.168144 0.831856 0.168144 Si\n0.919033 0.582053 0.249457 Pt\n0.693856 0.918433 0.693856 Pt\n0.249457 0.582053 0.919033 Pt\n0.918433 0.693856 0.693856 Pt\n0.750543 0.417947 0.750543 Pt\n0.000000 0.000000 0.500000 Pt\n0.750543 0.080967 0.417947 Pt\n0.082990 0.082990 0.082990 Pt\n0.582053 0.919033 0.249457 Pt\n0.917010 0.248969 0.917010 Pt\n0.082990 0.082990 0.751031 Pt\n0.750543 0.750543 0.417947 Pt\n0.080967 0.750543 0.750543 Pt\n0.080967 0.417947 0.750543 Pt\n0.693856 0.693856 0.918433 Pt\n0.750543 0.750543 0.080967 Pt\n0.693856 0.693856 0.693856 Pt\n0.417947 0.750543 0.080967 Pt\n0.249457 0.919033 0.249457 Pt\n0.582053 0.249457 0.249457 Pt\n0.417947 0.750543 0.750543 Pt\n0.917010 0.917010 0.248969 Pt\n0.249457 0.249457 0.582053 Pt\n0.750543 0.417947 0.080967 Pt\n0.582053 0.249457 0.919033 Pt\n0.249457 0.919033 0.582053 Pt\n0.306144 0.306144 0.081567 Pt\n0.306144 0.306144 0.306144 Pt\n0.249457 0.249457 0.919033 Pt\n0.917010 0.917010 0.917010 Pt\n0.082990 0.751031 0.082990 Pt\n0.000000 0.500000 0.000000 Pt\n0.919033 0.249457 0.582053 Pt\n0.248969 0.917010 0.917010 Pt\n0.919033 0.249457 0.249457 Pt\n0.417947 0.080967 0.750543 Pt\n0.500000 0.500000 0.000000 Pt\n0.081567 0.306144 0.306144 Pt\n0.750543 0.080967 0.750543 Pt\n0.306144 0.081567 0.306144 Pt\n0.249457 0.582053 0.249457 Pt\n0.500000 0.000000 0.000000 Pt\n0.080967 0.750543 0.417947 Pt\n0.751031 0.082990 0.082990 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 74,
"nelements": 3,
"elements": [
"U",
"Si",
"Pt"
],
"chemical_system": "Pt-Si-U",
"density": 14.445465458444763,
"density_atomic": 0.05841653342846601,
"volume": 1266.7646581702204,
"volume_molar": 10.308966326073445,
"formula_full": "U6 Si22 Pt46",
"formula_reduced": "U3Si11Pt23",
"formula_anonymous": "A3B11C23",
"energy": -491.46350042,
"energy_per_atom": -6.641398654324324,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -491.46350042,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2795509,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.771000Z",
"spacegroup": 225
},
{
"id": "mp-16480",
"created_at": "2022-09-04T14:40:33.080485Z",
"structure_string": "Al12 Au32\n1.0\n14.476225 -3.921803 0.000000\n14.476225 3.921803 0.000000\n13.413756 0.000000 6.709157\nAl Au\n12 32\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.843733 0.843733 0.843733 Al\n0.656267 0.656267 0.656267 Al\n0.156267 0.156267 0.156267 Al\n0.343733 0.343733 0.343733 Al\n0.566274 0.933726 0.250000 Al\n0.933726 0.250000 0.566274 Al\n0.250000 0.566274 0.933726 Al\n0.433726 0.066274 0.750000 Al\n0.066274 0.750000 0.433726 Al\n0.750000 0.433726 0.066274 Al\n0.782491 0.782491 0.782491 Au\n0.717509 0.717509 0.717509 Au\n0.217509 0.217509 0.217509 Au\n0.282491 0.282491 0.282491 Au\n0.062858 0.062858 0.062858 Au\n0.437142 0.437142 0.437142 Au\n0.937142 0.937142 0.937142 Au\n0.562858 0.562858 0.562858 Au\n0.703910 0.351066 0.996205 Au\n0.351066 0.996205 0.703910 Au\n0.996205 0.703910 0.351066 Au\n0.148934 0.796090 0.503795 Au\n0.796090 0.503795 0.148934 Au\n0.503795 0.148934 0.796090 Au\n0.296090 0.648934 0.003795 Au\n0.648934 0.003795 0.296090 Au\n0.003795 0.296090 0.648934 Au\n0.851066 0.203910 0.496205 Au\n0.203910 0.496205 0.851066 Au\n0.496205 0.851066 0.203910 Au\n0.125006 0.384897 0.647229 Au\n0.384897 0.647229 0.125006 Au\n0.647229 0.125006 0.384897 Au\n0.115103 0.374994 0.852771 Au\n0.374994 0.852771 0.115103 Au\n0.852771 0.115103 0.374994 Au\n0.874994 0.615103 0.352771 Au\n0.615103 0.352771 0.874994 Au\n0.352771 0.874994 0.615103 Au\n0.884897 0.625006 0.147229 Au\n0.625006 0.147229 0.884897 Au\n0.147229 0.884897 0.625006 Au\n",
"nsites": 44,
"nelements": 2,
"elements": [
"Al",
"Au"
],
"chemical_system": "Al-Au",
"density": 14.44468003278309,
"density_atomic": 0.05775819690312664,
"volume": 761.7966342300782,
"volume_molar": 10.426469458699467,
"formula_full": "Al12 Au32",
"formula_reduced": "Al3Au8",
"formula_anonymous": "A3B8",
"energy": -161.44136153,
"energy_per_atom": -3.6691218529545453,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.44136153,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022456,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.490000Z",
"spacegroup": 167
},
{
"id": "mp-977444",
"created_at": "2022-09-04T14:42:47.349760Z",
"structure_string": "Pa1 Ag1 Au2\n1.0\n0.000000 3.479660 3.479660\n3.479660 0.000000 3.479660\n3.479660 3.479660 0.000000\nPa Ag Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pa\n0.500000 0.500000 0.500000 Ag\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pa",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-Pa",
"density": 14.441629093951892,
"density_atomic": 0.04747003623800361,
"volume": 84.26368119764939,
"volume_molar": 12.68619372820025,
"formula_full": "Pa1 Ag1 Au2",
"formula_reduced": "PaAgAu2",
"formula_anonymous": "ABC2",
"energy": -20.05208476,
"energy_per_atom": -5.01302119,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.05208476,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0201548,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.868000Z",
"spacegroup": 225
},
{
"id": "mp-1184535",
"created_at": "2022-09-04T14:40:57.047773Z",
"structure_string": "Gd1 Ho1 Ir2\n1.0\n0.000000 3.437713 3.437713\n3.437713 0.000000 3.437713\n3.437713 3.437713 0.000000\nGd Ho Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 Ho\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Gd",
"Ho",
"Ir"
],
"chemical_system": "Gd-Ho-Ir",
"density": 14.440847670172543,
"density_atomic": 0.049229014998479106,
"volume": 81.25289527169245,
"volume_molar": 12.23290931209176,
"formula_full": "Gd1 Ho1 Ir2",
"formula_reduced": "GdHoIr2",
"formula_anonymous": "ABC2",
"energy": -39.47405187,
"energy_per_atom": -9.8685129675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.47405187,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9928692,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.201000Z",
"spacegroup": 225
},
{
"id": "mp-11241",
"created_at": "2022-09-04T14:41:30.679758Z",
"structure_string": "Dy1 Au2\n1.0\n-1.877879 1.877879 4.536955\n1.877879 -1.877879 4.536955\n1.877879 1.877879 -4.536955\nDy Au\n1 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.664588 0.664588 0.000000 Au\n0.335412 0.335412 0.000000 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Dy",
"Au"
],
"chemical_system": "Au-Dy",
"density": 14.437846160517298,
"density_atomic": 0.04687719113517696,
"volume": 63.997008509939924,
"volume_molar": 12.84663311552587,
"formula_full": "Dy1 Au2",
"formula_reduced": "DyAu2",
"formula_anonymous": "AB2",
"energy": -13.75034327,
"energy_per_atom": -4.583447756666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.75034327,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044005,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:23.730000Z",
"spacegroup": 139
},
{
"id": "mp-1215947",
"created_at": "2022-09-04T14:48:28.868955Z",
"structure_string": "Y1 Lu1 B8 Ir8\n1.0\n5.397527 0.000000 0.000000\n0.000000 5.397527 0.000000\n0.000000 0.000000 7.454301\nY Lu B Ir\n1 1 8 8\ndirect\n0.000000 0.000000 0.500000 Y\n0.500000 0.500000 0.000000 Lu\n0.327143 0.000000 0.153109 B\n0.672857 0.000000 0.153109 B\n0.500000 0.827748 0.653555 B\n0.500000 0.172252 0.653555 B\n0.172252 0.500000 0.346445 B\n0.827748 0.500000 0.346445 B\n0.000000 0.672857 0.846891 B\n0.000000 0.327143 0.846891 B\n0.750735 0.000000 0.856844 Ir\n0.249265 0.000000 0.856844 Ir\n0.500000 0.251529 0.353593 Ir\n0.500000 0.748471 0.353593 Ir\n0.748471 0.500000 0.646407 Ir\n0.251529 0.500000 0.646407 Ir\n0.000000 0.249265 0.143156 Ir\n0.000000 0.750735 0.143156 Ir\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Y",
"Lu",
"B",
"Ir"
],
"chemical_system": "B-Ir-Lu-Y",
"density": 14.436994561781765,
"density_atomic": 0.08288499828724837,
"volume": 217.16837029565642,
"volume_molar": 7.2656583030013655,
"formula_full": "Y1 Lu1 B8 Ir8",
"formula_reduced": "YLu(BIr)8",
"formula_anonymous": "ABC8D8",
"energy": -144.25774255,
"energy_per_atom": -8.014319030555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -144.25774255,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.13e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:25.969000Z",
"spacegroup": 115
},
{
"id": "mp-912",
"created_at": "2022-09-04T14:48:08.904846Z",
"structure_string": "La2 Pt4\n1.0\n0.000000 3.933842 3.933842\n3.933842 0.000000 3.933842\n3.933842 3.933842 0.000000\nLa Pt\n2 4\ndirect\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 La\n0.125000 0.625000 0.125000 Pt\n0.125000 0.125000 0.625000 Pt\n0.625000 0.125000 0.125000 Pt\n0.125000 0.125000 0.125000 Pt\n",
"nsites": 6,
"nelements": 2,
"elements": [
"La",
"Pt"
],
"chemical_system": "La-Pt",
"density": 14.431595371680297,
"density_atomic": 0.04927997925297059,
"volume": 121.75329801175435,
"volume_molar": 12.220258310350214,
"formula_full": "La2 Pt4",
"formula_reduced": "LaPt2",
"formula_anonymous": "AB2",
"energy": -40.61300026,
"energy_per_atom": -6.768833376666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.61300026,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002015,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:32.427000Z",
"spacegroup": 227
},
{
"id": "mp-1187200",
"created_at": "2022-09-04T14:39:33.463169Z",
"structure_string": "Ta2 Tc1 Ru1\n1.0\n0.000000 3.183874 3.183874\n3.183874 0.000000 3.183874\n3.183874 3.183874 0.000000\nTa Tc Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Tc",
"Ru"
],
"chemical_system": "Ru-Ta-Tc",
"density": 14.430714620294776,
"density_atomic": 0.06196727211360435,
"volume": 64.5502030921551,
"volume_molar": 9.718260227688631,
"formula_full": "Ta2 Tc1 Ru1",
"formula_reduced": "Ta2TcRu",
"formula_anonymous": "ABC2",
"energy": -45.00153965,
"energy_per_atom": -11.2503849125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.00153965,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010906,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.701000Z",
"spacegroup": 225
},
{
"id": "mp-1219505",
"created_at": "2022-09-04T14:47:14.317484Z",
"structure_string": "Rh2 W2 C1\n1.0\n9.596856 -1.426240 0.000000\n9.596856 1.426240 0.000000\n9.384895 0.000000 2.461210\nRh W C\n2 2 1\ndirect\n0.378045 0.378045 0.378045 Rh\n0.621955 0.621955 0.621955 Rh\n0.875815 0.875815 0.875815 W\n0.124185 0.124185 0.124185 W\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rh",
"W",
"C"
],
"chemical_system": "C-Rh-W",
"density": 14.43035450922864,
"density_atomic": 0.07421125002822958,
"volume": 67.37522947124629,
"volume_molar": 8.114862312262911,
"formula_full": "Rh2 W2 C1",
"formula_reduced": "Rh2W2C",
"formula_anonymous": "AB2C2",
"energy": -48.15504007999999,
"energy_per_atom": -9.631008016,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.15504007999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041019,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.488000Z",
"spacegroup": 166
},
{
"id": "mp-1183167",
"created_at": "2022-09-04T14:40:55.461187Z",
"structure_string": "Ag1 Pd1 Au2\n1.0\n0.000000 3.270925 3.270925\n3.270925 0.000000 3.270925\n3.270925 3.270925 0.000000\nAg Pd Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Pd",
"Au"
],
"chemical_system": "Ag-Au-Pd",
"density": 14.430088530164321,
"density_atomic": 0.05715026350354175,
"volume": 69.99092838394542,
"volume_molar": 10.537380566279964,
"formula_full": "Ag1 Pd1 Au2",
"formula_reduced": "AgPdAu2",
"formula_anonymous": "ABC2",
"energy": -14.83200661,
"energy_per_atom": -3.7080016525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.83200661,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000197,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.742000Z",
"spacegroup": 225
}
]
}