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=105",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=103",
"results": [
{
"id": "mp-1232235",
"created_at": "2022-09-04T14:46:19.791228Z",
"structure_string": "Pm1 S1\n1.0\n0.000000 2.851466 2.851466\n2.851466 0.000000 2.851466\n2.851466 2.851466 0.000000\nPm S\n1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pm",
"S"
],
"chemical_system": "Pm-S",
"density": 6.340846398149425,
"density_atomic": 0.04313158394983868,
"volume": 46.369732266868915,
"volume_molar": 13.962252735729926,
"formula_full": "Pm1 S1",
"formula_reduced": "PmS",
"formula_anonymous": "AB",
"energy": -13.45541204,
"energy_per_atom": -6.72770602,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.95241204,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011812,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.387000Z",
"spacegroup": 225
},
{
"id": "mp-1057486",
"created_at": "2022-09-04T14:41:56.355931Z",
"structure_string": "Cs1 S1\n1.0\n4.230483 0.000000 0.000000\n0.000000 4.230483 0.000000\n0.000000 0.000000 4.230483\nCs S\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cs",
"S"
],
"chemical_system": "Cs-S",
"density": 3.6181402626449493,
"density_atomic": 0.026415578920531584,
"volume": 75.71289677265011,
"volume_molar": 22.797686085612437,
"formula_full": "Cs1 S1",
"formula_reduced": "CsS",
"formula_anonymous": "AB",
"energy": -6.3321188,
"energy_per_atom": -3.1660594,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.8291188,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000328,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.076000Z",
"spacegroup": 221
},
{
"id": "mp-1058623",
"created_at": "2022-09-04T14:42:01.369682Z",
"structure_string": "O2\n1.0\n0.766099 -2.307710 0.000000\n0.766099 2.307710 0.000000\n0.000000 0.000000 5.701631\nO\n2\ndirect\n0.166302 0.833698 0.250000 O\n0.833698 0.166302 0.750000 O\n",
"nsites": 2,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.635648916454226,
"density_atomic": 0.09920527503727601,
"volume": 20.16021828726857,
"volume_molar": 6.070383613912872,
"formula_full": "O2",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -6.75460832,
"energy_per_atom": -3.37730416,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.75460832,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011178,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.355000Z",
"spacegroup": 63
},
{
"id": "mp-12586",
"created_at": "2022-09-04T14:41:53.862310Z",
"structure_string": "Sm1 Cu1\n1.0\n3.543323 0.000000 0.000000\n0.000000 3.543323 0.000000\n0.000000 0.000000 3.543323\nSm Cu\n1 1\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sm",
"Cu"
],
"chemical_system": "Cu-Sm",
"density": 7.984354924825324,
"density_atomic": 0.0449570458535186,
"volume": 44.48690882662764,
"volume_molar": 13.395321346561905,
"formula_full": "Sm1 Cu1",
"formula_reduced": "SmCu",
"formula_anonymous": "AB",
"energy": -9.17664222,
"energy_per_atom": -4.58832111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.17664222,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029595,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.729000Z",
"spacegroup": 221
},
{
"id": "mp-23193",
"created_at": "2022-09-04T14:40:25.843887Z",
"structure_string": "K1 Cl1\n1.0\n0.000000 3.191796 3.191796\n3.191796 0.000000 3.191796\n3.191796 3.191796 0.000000\nK Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"Cl"
],
"chemical_system": "Cl-K",
"density": 1.9035704058183411,
"density_atomic": 0.030753505128334285,
"volume": 65.03323740347665,
"volume_molar": 19.581965486111663,
"formula_full": "K1 Cl1",
"formula_reduced": "KCl",
"formula_anonymous": "AB",
"energy": -7.47540409,
"energy_per_atom": -3.737702045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.86140409,
"band_gap": 5.027,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001108,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:56.629000Z",
"spacegroup": 225
},
{
"id": "mp-237",
"created_at": "2022-09-04T14:47:30.547157Z",
"structure_string": "Tm1 Te1\n1.0\n0.000000 3.039313 3.039313\n3.039313 0.000000 3.039313\n3.039313 3.039313 0.000000\nTm Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tm",
"Te"
],
"chemical_system": "Te-Tm",
"density": 8.769354408997215,
"density_atomic": 0.0356183434238889,
"volume": 56.150842732866074,
"volume_molar": 16.90741393649713,
"formula_full": "Tm1 Te1",
"formula_reduced": "TmTe",
"formula_anonymous": "AB",
"energy": -10.36745234,
"energy_per_atom": -5.18372617,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.94545234,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004626,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:16.532000Z",
"spacegroup": 225
},
{
"id": "mp-1219653",
"created_at": "2022-09-04T14:42:07.859812Z",
"structure_string": "Pu1 Zr1\n1.0\n5.347229 -1.638026 0.000000\n5.347229 1.638026 0.000000\n4.845450 0.000000 2.792418\nPu Zr\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Zr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Zr"
],
"chemical_system": "Pu-Zr",
"density": 11.37952678522212,
"density_atomic": 0.04088556434293493,
"volume": 48.91702076617177,
"volume_molar": 14.729259230686472,
"formula_full": "Pu1 Zr1",
"formula_reduced": "PuZr",
"formula_anonymous": "AB",
"energy": -22.56094768,
"energy_per_atom": -11.28047384,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.56094768,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.4623074,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.464000Z",
"spacegroup": 166
},
{
"id": "mp-998900",
"created_at": "2022-09-04T14:40:04.370120Z",
"structure_string": "Tc1 N1\n1.0\n1.409941 -2.442089 0.000000\n1.409941 2.442089 0.000000\n0.000000 0.000000 2.904220\nTc N\n1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.666667 0.333333 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tc",
"N"
],
"chemical_system": "N-Tc",
"density": 9.299747666620757,
"density_atomic": 0.10000185613936607,
"volume": 19.999628779017165,
"volume_molar": 6.022028982749415,
"formula_full": "Tc1 N1",
"formula_reduced": "TcN",
"formula_anonymous": "AB",
"energy": -18.38169029,
"energy_per_atom": -9.190845145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.02069029,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001366,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.228000Z",
"spacegroup": 187
},
{
"id": "mp-19933",
"created_at": "2022-09-04T14:47:39.967244Z",
"structure_string": "Pu1 Sb1\n1.0\n3.539495 0.000000 0.000000\n0.000000 3.539495 0.000000\n0.000000 0.000000 4.242385\nPu Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Sb"
],
"chemical_system": "Pu-Sb",
"density": 11.427536609724138,
"density_atomic": 0.037630267950346706,
"volume": 53.14870472458523,
"volume_molar": 16.003449053156466,
"formula_full": "Pu1 Sb1",
"formula_reduced": "PuSb",
"formula_anonymous": "AB",
"energy": -19.81857923,
"energy_per_atom": -9.909289615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.62657923,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.828381,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:19.308000Z",
"spacegroup": 123
},
{
"id": "mp-1220057",
"created_at": "2022-09-04T14:39:35.075399Z",
"structure_string": "Ni1 Pd1\n1.0\n4.329601 -1.348751 0.000000\n4.329601 1.348751 0.000000\n3.909440 0.000000 2.298011\nNi Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ni",
"Pd"
],
"chemical_system": "Ni-Pd",
"density": 10.215736069737876,
"density_atomic": 0.07451920994932072,
"volume": 26.83871717588212,
"volume_molar": 8.08132663254959,
"formula_full": "Ni1 Pd1",
"formula_reduced": "NiPd",
"formula_anonymous": "AB",
"energy": -10.84363793,
"energy_per_atom": -5.421818965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.84363793,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9629251,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.530000Z",
"spacegroup": 166
},
{
"id": "mp-975530",
"created_at": "2022-09-04T14:47:38.605938Z",
"structure_string": "Rb1 Al1\n1.0\n4.315756 0.000000 0.000000\n0.000000 4.315756 0.000000\n0.000000 0.000000 4.315756\nRb Al\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Al\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"Al"
],
"chemical_system": "Al-Rb",
"density": 2.322925887102806,
"density_atomic": 0.02488051392063103,
"volume": 80.38419167626563,
"volume_molar": 24.2042458576646,
"formula_full": "Rb1 Al1",
"formula_reduced": "RbAl",
"formula_anonymous": "AB",
"energy": -3.40903703,
"energy_per_atom": -1.704518515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.40903703,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0073743,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.637000Z",
"spacegroup": 221
},
{
"id": "mp-1187974",
"created_at": "2022-09-04T14:47:42.178290Z",
"structure_string": "Zn1 Ag1\n1.0\n1.456995 -2.523589 0.000000\n1.456995 2.523589 0.000000\n0.000000 0.000000 4.505040\nZn Ag\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.333333 0.666667 0.500000 Ag\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Ag"
],
"chemical_system": "Ag-Zn",
"density": 8.685307214934971,
"density_atomic": 0.06037048453028693,
"volume": 33.12877170956995,
"volume_molar": 9.975306322046805,
"formula_full": "Zn1 Ag1",
"formula_reduced": "ZnAg",
"formula_anonymous": "AB",
"energy": -4.16911528,
"energy_per_atom": -2.08455764,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.16911528,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024193,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.216000Z",
"spacegroup": 187
}
]
}