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_uncorrected&page=1737",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=1735",
"results": [
{
"id": "mp-1025028",
"created_at": "2022-09-04T14:45:04.714815Z",
"structure_string": "Pr2 Si2 Ag2\n1.0\n-2.143875 2.143875 7.609972\n2.143875 -2.143875 7.609972\n2.143875 2.143875 -7.609972\nPr Si Ag\n2 2 2\ndirect\n0.581080 0.581080 0.000000 Pr\n0.331080 0.831080 0.500000 Pr\n0.999723 0.999723 0.000000 Si\n0.749723 0.249723 0.500000 Si\n0.166197 0.166197 0.000000 Ag\n0.916197 0.416197 0.500000 Ag\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Si",
"Ag"
],
"chemical_system": "Ag-Pr-Si",
"density": 6.572028760143456,
"density_atomic": 0.04288538174724934,
"volume": 139.90781370122323,
"volume_molar": 14.042409125543717,
"formula_full": "Pr2 Si2 Ag2",
"formula_reduced": "PrSiAg",
"formula_anonymous": "ABC",
"energy": -28.77871263,
"energy_per_atom": -4.796452105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.92071263,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001724,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.319000Z",
"spacegroup": 109
},
{
"id": "mp-631491",
"created_at": "2022-09-04T14:47:09.961724Z",
"structure_string": "Ba1 Nb1 Tc2\n1.0\n0.000000 3.405530 3.405530\n3.405530 0.000000 3.405530\n3.405530 3.405530 0.000000\nBa Nb Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Nb\n0.750000 0.750000 0.750000 Tc\n0.250000 0.250000 0.250000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"Tc"
],
"chemical_system": "Ba-Nb-Tc",
"density": 8.960091167009049,
"density_atomic": 0.05063792070795413,
"volume": 78.99218498858477,
"volume_molar": 11.892551423530412,
"formula_full": "Ba1 Nb1 Tc2",
"formula_reduced": "BaNbTc2",
"formula_anonymous": "ABC2",
"energy": -28.92216817,
"energy_per_atom": -7.2305420425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.92216817,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0055371,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.506000Z",
"spacegroup": 225
},
{
"id": "mp-1078049",
"created_at": "2022-09-04T14:39:47.528408Z",
"structure_string": "Zn1 Ga2 S4\n1.0\n5.242565 0.000000 0.000000\n0.000000 5.242565 0.000000\n0.000000 0.000000 5.455545\nZn Ga S\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.737829 0.737829 0.245159 S\n0.262171 0.262171 0.245159 S\n0.262171 0.737829 0.754841 S\n0.737829 0.262171 0.754841 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Zn",
"Ga",
"S"
],
"chemical_system": "Ga-S-Zn",
"density": 3.6890751023928043,
"density_atomic": 0.04668445036683671,
"volume": 149.94285988151205,
"volume_molar": 12.899671545191753,
"formula_full": "Zn1 Ga2 S4",
"formula_reduced": "Zn(GaS2)2",
"formula_anonymous": "AB2C4",
"energy": -30.93426455,
"energy_per_atom": -4.41918065,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.92226455,
"band_gap": 1.9330000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007678,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.895000Z",
"spacegroup": 111
},
{
"id": "mp-1071127",
"created_at": "2022-09-04T14:44:55.081802Z",
"structure_string": "Ca2 Ge1 Pd3\n1.0\n4.469266 -2.830687 0.000000\n4.469266 2.830687 0.000000\n2.676401 0.000000 4.563332\nCa Ge Pd\n2 1 3\ndirect\n0.870807 0.870807 0.870807 Ca\n0.129193 0.129193 0.129193 Ca\n0.500000 0.500000 0.500000 Ge\n0.500000 0.500000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Ge",
"Pd"
],
"chemical_system": "Ca-Ge-Pd",
"density": 6.788948330148964,
"density_atomic": 0.05196502423947919,
"volume": 115.46227655642355,
"volume_molar": 11.588834698213844,
"formula_full": "Ca2 Ge1 Pd3",
"formula_reduced": "Ca2GePd3",
"formula_anonymous": "AB2C3",
"energy": -28.92245687,
"energy_per_atom": -4.8204094783333336,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.92245687,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.36e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.859000Z",
"spacegroup": 166
},
{
"id": "mp-1215514",
"created_at": "2022-09-04T14:39:34.844116Z",
"structure_string": "Yb1 Mn1 Cu1 P2\n1.0\n1.948349 -3.374639 0.000000\n1.948349 3.374639 0.000000\n0.000000 0.000000 6.527181\nYb Mn Cu P\n1 1 1 2\ndirect\n0.333333 0.666667 0.989963 Yb\n0.000000 0.000000 0.377733 Mn\n0.666667 0.333333 0.633421 Cu\n0.666667 0.333333 0.274528 P\n0.000000 0.000000 0.724354 P\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Yb",
"Mn",
"Cu",
"P"
],
"chemical_system": "Cu-Mn-P-Yb",
"density": 6.838389904157568,
"density_atomic": 0.05825326589255515,
"volume": 85.8320975380542,
"volume_molar": 10.337859462004237,
"formula_full": "Yb1 Mn1 Cu1 P2",
"formula_reduced": "YbMnCuP2",
"formula_anonymous": "ABCD2",
"energy": -28.922687270000004,
"energy_per_atom": -5.7845374540000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.922687270000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.7700377,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.951000Z",
"spacegroup": 156
},
{
"id": "mp-34467",
"created_at": "2022-09-04T14:47:18.301729Z",
"structure_string": "Zn1 Ga2 S4\n1.0\n-2.620248 2.620248 5.435493\n2.620248 -2.620248 5.435493\n2.620248 2.620248 -5.435493\nZn Ga S\n1 2 4\ndirect\n0.500000 0.500000 0.000000 Zn\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.640791 0.640791 0.525592 S\n0.884801 0.359209 0.000000 S\n0.115199 0.115199 0.474408 S\n0.359209 0.884801 0.000000 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Zn",
"Ga",
"S"
],
"chemical_system": "Ga-S-Zn",
"density": 3.7056087074453177,
"density_atomic": 0.04689367957552327,
"volume": 149.2738480614717,
"volume_molar": 12.842116068757655,
"formula_full": "Zn1 Ga2 S4",
"formula_reduced": "Zn(GaS2)2",
"formula_anonymous": "AB2C4",
"energy": -30.937723770000005,
"energy_per_atom": -4.419674824285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.92572377,
"band_gap": 1.8922,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0008867,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.073000Z",
"spacegroup": 121
},
{
"id": "mp-1079783",
"created_at": "2022-09-04T14:45:01.576785Z",
"structure_string": "Eu2 Al2\n1.0\n2.082017 -6.310331 0.000000\n2.082017 6.310331 0.000000\n0.000000 0.000000 4.670498\nEu Al\n2 2\ndirect\n0.348513 0.651487 0.750000 Eu\n0.651487 0.348513 0.250000 Eu\n0.060386 0.939614 0.750000 Al\n0.939614 0.060386 0.250000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Eu",
"Al"
],
"chemical_system": "Al-Eu",
"density": 4.84250826659946,
"density_atomic": 0.03259345457970911,
"volume": 122.72402700418814,
"volume_molar": 18.47653413133155,
"formula_full": "Eu2 Al2",
"formula_reduced": "EuAl",
"formula_anonymous": "AB",
"energy": -28.926423,
"energy_per_atom": -7.23160575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.926423,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.566423,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.808000Z",
"spacegroup": 63
},
{
"id": "mp-1067248",
"created_at": "2022-09-04T14:47:30.188286Z",
"structure_string": "Ti2 Ni2\n1.0\n1.458911 -4.697954 0.000000\n1.458911 4.697954 0.000000\n0.000000 0.000000 4.014158\nTi Ni\n2 2\ndirect\n0.357253 0.642747 0.250000 Ti\n0.642747 0.357253 0.750000 Ti\n0.085051 0.914949 0.250000 Ni\n0.914949 0.085051 0.750000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Ni"
],
"chemical_system": "Ni-Ti",
"density": 6.43150953763549,
"density_atomic": 0.07269390082677657,
"volume": 55.025249085637356,
"volume_molar": 8.284244883694235,
"formula_full": "Ti2 Ni2",
"formula_reduced": "TiNi",
"formula_anonymous": "AB",
"energy": -28.92665037,
"energy_per_atom": -7.2316625925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.92665037,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0133411,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.861000Z",
"spacegroup": 63
},
{
"id": "mp-1210538",
"created_at": "2022-09-04T14:41:48.519457Z",
"structure_string": "N2 Cl2 O4\n1.0\n6.271663 0.000000 0.000000\n0.000000 6.271663 0.000000\n0.000000 0.000000 3.872107\nN Cl O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n0.000000 0.500000 0.410561 Cl\n0.500000 0.000000 0.589439 Cl\n0.642165 0.857835 0.383281 O\n0.357835 0.142165 0.383281 O\n0.142165 0.642165 0.616719 O\n0.857835 0.357835 0.616719 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"N",
"Cl",
"O"
],
"chemical_system": "Cl-N-O",
"density": 1.7762444083727513,
"density_atomic": 0.052526348288172334,
"volume": 152.30451498569923,
"volume_molar": 11.464990345342628,
"formula_full": "N2 Cl2 O4",
"formula_reduced": "NClO2",
"formula_anonymous": "ABC2",
"energy": -32.39677474,
"energy_per_atom": -4.0495968425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.92677474,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000604,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.962000Z",
"spacegroup": 113
},
{
"id": "mp-1206424",
"created_at": "2022-09-04T14:41:12.697219Z",
"structure_string": "Sr1 Si2 Pt2\n1.0\n-2.151699 2.151699 5.096027\n2.151699 -2.151699 5.096027\n2.151699 2.151699 -5.096027\nSr Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.373131 0.373131 0.000000 Si\n0.626869 0.626869 0.000000 Si\n0.750000 0.250000 0.500000 Pt\n0.250000 0.750000 0.500000 Pt\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Si",
"Pt"
],
"chemical_system": "Pt-Si-Sr",
"density": 9.395118469659607,
"density_atomic": 0.05298040289677516,
"volume": 94.37451824860213,
"volume_molar": 11.366732661005415,
"formula_full": "Sr1 Si2 Pt2",
"formula_reduced": "Sr(SiPt)2",
"formula_anonymous": "AB2C2",
"energy": -28.78700646,
"energy_per_atom": -5.757401292,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.929006460000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003767,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.006000Z",
"spacegroup": 139
},
{
"id": "mp-864999",
"created_at": "2022-09-04T14:44:29.772391Z",
"structure_string": "Dy2 Ir1 Rh1\n1.0\n0.000000 3.432218 3.432218\n3.432218 0.000000 3.432218\n3.432218 3.432218 0.000000\nDy Ir Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Dy\n0.750000 0.750000 0.750000 Dy\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Ir",
"Rh"
],
"chemical_system": "Dy-Ir-Rh",
"density": 12.734209696516618,
"density_atomic": 0.04946584153052432,
"volume": 80.86388255482694,
"volume_molar": 12.174342078631907,
"formula_full": "Dy2 Ir1 Rh1",
"formula_reduced": "Dy2IrRh",
"formula_anonymous": "ABC2",
"energy": -28.9296444,
"energy_per_atom": -7.2324111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.9296444,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.01e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.861000Z",
"spacegroup": 225
},
{
"id": "mp-1187751",
"created_at": "2022-09-04T14:40:01.607669Z",
"structure_string": "Y2 Pd1 Rh1\n1.0\n0.000000 3.483679 3.483679\n3.483679 0.000000 3.483679\n3.483679 3.483679 0.000000\nY Pd Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Y\n0.750000 0.750000 0.750000 Y\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Pd",
"Rh"
],
"chemical_system": "Pd-Rh-Y",
"density": 7.6027308290649875,
"density_atomic": 0.04730593208696356,
"volume": 84.55599168084692,
"volume_molar": 12.73020210008623,
"formula_full": "Y2 Pd1 Rh1",
"formula_reduced": "Y2PdRh",
"formula_anonymous": "ABC2",
"energy": -28.9317403,
"energy_per_atom": -7.232935075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.9317403,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0052611,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.081000Z",
"spacegroup": 225
}
]
}