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&page=1756",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=1754",
"results": [
{
"id": "mp-1221904",
"created_at": "2022-09-04T14:45:06.915676Z",
"structure_string": "Mn2 Al2 Cu1\n1.0\n-1.368592 1.368592 8.518936\n1.368592 -1.368592 8.518936\n1.368592 1.368592 -8.518936\nMn Al Cu\n2 2 1\ndirect\n0.813349 0.813349 0.000000 Mn\n0.387910 0.387910 0.000000 Mn\n0.590402 0.590402 0.000000 Al\n0.217548 0.217548 0.000000 Al\n0.990791 0.990791 0.000000 Cu\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Mn",
"density": 5.9158600014267355,
"density_atomic": 0.07833875466912434,
"volume": 63.825369973243276,
"volume_molar": 7.687307240758969,
"formula_full": "Mn2 Al2 Cu1",
"formula_reduced": "Mn2Al2Cu",
"formula_anonymous": "AB2C2",
"energy": -30.01200211,
"energy_per_atom": -6.002400422,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.01200211,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1551295,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.544000Z",
"spacegroup": 107
},
{
"id": "mp-1186756",
"created_at": "2022-09-04T14:40:37.011294Z",
"structure_string": "Sr1 Yb1 O3\n1.0\n4.315878 0.000000 0.000000\n0.000000 4.315878 0.000000\n0.000000 0.000000 4.315878\nSr Yb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Yb\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Yb",
"O"
],
"chemical_system": "O-Sr-Yb",
"density": 6.375576154367508,
"density_atomic": 0.06219601008651152,
"volume": 80.39100889342019,
"volume_molar": 9.682519427891764,
"formula_full": "Sr1 Yb1 O3",
"formula_reduced": "SrYbO3",
"formula_anonymous": "ABC3",
"energy": -30.01520239,
"energy_per_atom": -6.003040478,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.95420239,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0001086,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.385000Z",
"spacegroup": 221
},
{
"id": "mp-1226962",
"created_at": "2022-09-04T14:44:55.948772Z",
"structure_string": "Cd2 In1 Ag1 S4\n1.0\n2.089081 7.683322 0.000000\n-2.089081 7.683322 0.000000\n0.000000 3.366838 6.450206\nCd In Ag S\n2 1 1 4\ndirect\n0.502300 0.502300 0.172236 Cd\n0.997785 0.997785 0.658389 Cd\n0.752170 0.752170 0.590542 In\n0.249320 0.249320 0.079075 Ag\n0.061319 0.061319 0.270608 S\n0.565598 0.565598 0.768785 S\n0.811499 0.811499 0.851581 S\n0.307803 0.307803 0.360784 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cd",
"In",
"Ag",
"S"
],
"chemical_system": "Ag-Cd-In-S",
"density": 4.61730834864954,
"density_atomic": 0.038635104637595306,
"volume": 207.06557093714474,
"volume_molar": 15.587225184165634,
"formula_full": "Cd2 In1 Ag1 S4",
"formula_reduced": "Cd2InAgS4",
"formula_anonymous": "ABC2D4",
"energy": -30.01552821,
"energy_per_atom": -3.75194102625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.00352821,
"band_gap": 0.1805000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.002279,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.023000Z",
"spacegroup": 8
},
{
"id": "mp-1187013",
"created_at": "2022-09-04T14:45:19.471024Z",
"structure_string": "Sm1 Er1 Ir2\n1.0\n0.000000 3.451175 3.451175\n3.451175 0.000000 3.451175\n3.451175 3.451175 0.000000\nSm Er Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Er\n0.750000 0.750000 0.750000 Ir\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Er",
"Ir"
],
"chemical_system": "Er-Ir-Sm",
"density": 14.180386103222972,
"density_atomic": 0.048655176275448006,
"volume": 82.21119120718197,
"volume_molar": 12.377184137423106,
"formula_full": "Sm1 Er1 Ir2",
"formula_reduced": "SmErIr2",
"formula_anonymous": "ABC2",
"energy": -30.01580953,
"energy_per_atom": -7.5039523825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.01580953,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.03e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.852000Z",
"spacegroup": 225
},
{
"id": "mp-27587",
"created_at": "2022-09-04T14:44:31.097527Z",
"structure_string": "Li8 Pb3\n1.0\n10.841967 -2.382899 0.000000\n10.841967 2.382899 0.000000\n10.318242 0.000000 4.093940\nLi Pb\n8 3\ndirect\n0.911013 0.911013 0.911013 Li\n0.088987 0.088987 0.088987 Li\n0.820746 0.820746 0.820746 Li\n0.361593 0.361593 0.361593 Li\n0.638407 0.638407 0.638407 Li\n0.272835 0.272835 0.272835 Li\n0.727165 0.727165 0.727165 Li\n0.179254 0.179254 0.179254 Li\n0.547340 0.547340 0.547340 Pb\n0.452660 0.452660 0.452660 Pb\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 11,
"nelements": 2,
"elements": [
"Li",
"Pb"
],
"chemical_system": "Li-Pb",
"density": 5.315384492278182,
"density_atomic": 0.05200049765892202,
"volume": 211.53643705778396,
"volume_molar": 11.580929089371411,
"formula_full": "Li8 Pb3",
"formula_reduced": "Li8Pb3",
"formula_anonymous": "A3B8",
"energy": -30.01614208,
"energy_per_atom": -2.7287401890909093,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.01614208,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002089,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:45.544000Z",
"spacegroup": 166
},
{
"id": "mp-1078684",
"created_at": "2022-09-04T14:42:26.020912Z",
"structure_string": "Er3 Cd3 Ga3\n1.0\n3.616776 -6.264441 0.000000\n3.616776 6.264441 0.000000\n0.000000 0.000000 4.389864\nEr Cd Ga\n3 3 3\ndirect\n0.423369 0.423369 0.500000 Er\n0.576631 0.000000 0.500000 Er\n0.000000 0.576631 0.500000 Er\n0.752025 0.752025 0.000000 Cd\n0.247975 0.000000 0.000000 Cd\n0.000000 0.247975 0.000000 Cd\n0.666667 0.333333 0.000000 Ga\n0.333333 0.666667 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Er",
"Cd",
"Ga"
],
"chemical_system": "Cd-Er-Ga",
"density": 8.749828786639988,
"density_atomic": 0.04524363733439606,
"volume": 198.92299846453398,
"volume_molar": 13.310469968385416,
"formula_full": "Er3 Cd3 Ga3",
"formula_reduced": "ErCdGa",
"formula_anonymous": "ABC",
"energy": -30.01645046,
"energy_per_atom": -3.3351611622222226,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.01645046,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.4e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.890000Z",
"spacegroup": 189
},
{
"id": "mp-1021408",
"created_at": "2022-09-04T14:43:37.551749Z",
"structure_string": "Na2 Mg12 Sn2\n1.0\n5.166892 0.000000 0.000000\n0.000000 6.467183 0.000000\n0.000000 0.000000 11.392657\nNa Mg Sn\n2 12 2\ndirect\n0.500000 0.500000 0.166992 Na\n0.500000 0.000000 0.666992 Na\n0.500000 0.251603 0.416349 Mg\n0.500000 0.748397 0.416349 Mg\n0.000000 0.749088 0.081812 Mg\n0.000000 0.250912 0.081812 Mg\n0.000000 0.000000 0.335751 Mg\n0.000000 0.500000 0.335165 Mg\n0.500000 0.751603 0.916349 Mg\n0.500000 0.248397 0.916349 Mg\n0.000000 0.249088 0.581812 Mg\n0.000000 0.750912 0.581812 Mg\n0.000000 0.500000 0.835751 Mg\n0.000000 0.000000 0.835165 Mg\n0.500000 0.000000 0.165767 Sn\n0.500000 0.500000 0.665767 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Sn"
],
"chemical_system": "Mg-Na-Sn",
"density": 2.508374358761359,
"density_atomic": 0.0420291325250449,
"volume": 380.6883235209696,
"volume_molar": 14.328491687073113,
"formula_full": "Na2 Mg12 Sn2",
"formula_reduced": "NaMg6Sn",
"formula_anonymous": "ABC6",
"energy": -30.01776059,
"energy_per_atom": -1.876110036875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.01776059,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026405,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.115000Z",
"spacegroup": 38
},
{
"id": "mp-1188008",
"created_at": "2022-09-04T14:39:33.044155Z",
"structure_string": "Zr3 Ga1\n1.0\n4.367556 0.000000 0.000000\n0.000000 4.367556 0.000000\n0.000000 0.000000 4.367556\nZr Ga\n3 1\ndirect\n0.000000 0.500000 0.500000 Zr\n0.500000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Ga"
],
"chemical_system": "Ga-Zr",
"density": 6.8442776382572,
"density_atomic": 0.0480114193303327,
"volume": 83.31351282241465,
"volume_molar": 12.54314253566615,
"formula_full": "Zr3 Ga1",
"formula_reduced": "Zr3Ga",
"formula_anonymous": "AB3",
"energy": -30.01823217,
"energy_per_atom": -7.5045580425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.01823217,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001009,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.447000Z",
"spacegroup": 221
},
{
"id": "mp-24105",
"created_at": "2022-09-04T14:40:53.338169Z",
"structure_string": "Co1 H2 O2\n1.0\n3.209436 -0.016355 0.004177\n-1.620302 2.788733 -0.019447\n0.001985 -0.034529 4.778382\nCo H O\n1 2 2\ndirect\n0.000186 0.938228 0.000036 Co\n0.655152 0.268379 0.576748 H\n0.344577 0.603863 0.423265 H\n0.659844 0.270086 0.780481 O\n0.340241 0.605499 0.219470 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Co",
"H",
"O"
],
"chemical_system": "Co-H-O",
"density": 3.6197586267448405,
"density_atomic": 0.11726301421638147,
"volume": 42.63919048485032,
"volume_molar": 5.135584139844425,
"formula_full": "Co1 H2 O2",
"formula_reduced": "Co(HO)2",
"formula_anonymous": "AB2C2",
"energy": -30.01979298,
"energy_per_atom": -6.0039585959999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.00779298,
"band_gap": 2.3787000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000001,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.058000Z",
"spacegroup": 164
},
{
"id": "mp-636359",
"created_at": "2022-09-04T14:41:17.477895Z",
"structure_string": "V1 Fe2 Sn1\n1.0\n0.000000 2.982292 2.982292\n2.982292 0.000000 2.982292\n2.982292 2.982292 0.000000\nV Fe Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 V\n0.750000 0.750000 0.750000 Fe\n0.250000 0.250000 0.250000 Fe\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Fe",
"Sn"
],
"chemical_system": "Fe-Sn-V",
"density": 8.806481150049903,
"density_atomic": 0.07540141657624569,
"volume": 53.04940121324129,
"volume_molar": 7.986774033496345,
"formula_full": "V1 Fe2 Sn1",
"formula_reduced": "VFe2Sn",
"formula_anonymous": "ABC2",
"energy": -30.02266971,
"energy_per_atom": -7.5056674275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.02266971,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9118522,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.490000Z",
"spacegroup": 225
},
{
"id": "mp-1072653",
"created_at": "2022-09-04T14:43:55.630366Z",
"structure_string": "U1 Cu4 Ag1\n1.0\n0.000000 3.578057 3.578057\n3.578057 0.000000 3.578057\n3.578057 3.578057 0.000000\nU Cu Ag\n1 4 1\ndirect\n0.000000 0.000000 0.000000 U\n0.623884 0.623884 0.128348 Cu\n0.623884 0.128348 0.623884 Cu\n0.128348 0.623884 0.623884 Cu\n0.623884 0.623884 0.623884 Cu\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Cu",
"Ag"
],
"chemical_system": "Ag-Cu-U",
"density": 10.876453143941033,
"density_atomic": 0.06549067857676043,
"volume": 91.61609148647788,
"volume_molar": 9.195416646876792,
"formula_full": "U1 Cu4 Ag1",
"formula_reduced": "UCu4Ag",
"formula_anonymous": "ABC4",
"energy": -30.02653378,
"energy_per_atom": -5.004422296666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.02653378,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.6480018,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.429000Z",
"spacegroup": 216
},
{
"id": "mp-19895",
"created_at": "2022-09-04T14:41:09.289681Z",
"structure_string": "Ni2 Sb4\n1.0\n3.803481 0.000000 0.000000\n0.000000 5.350550 0.000000\n0.000000 0.000000 6.313845\nNi Sb\n2 4\ndirect\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.715806 0.139590 Sb\n0.500000 0.284194 0.860410 Sb\n0.000000 0.784194 0.639590 Sb\n0.000000 0.215806 0.360410 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ni",
"Sb"
],
"chemical_system": "Ni-Sb",
"density": 7.811226227273962,
"density_atomic": 0.04669578238268423,
"volume": 128.49126181950268,
"volume_molar": 12.896541085117649,
"formula_full": "Ni2 Sb4",
"formula_reduced": "NiSb2",
"formula_anonymous": "AB2",
"energy": -30.02815846,
"energy_per_atom": -5.004693076666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.26015846,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:11.545000Z",
"spacegroup": 58
}
]
}