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=10186",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=10184",
"results": [
{
"id": "mp-775909",
"created_at": "2022-09-04T14:46:13.791225Z",
"structure_string": "Zr2 O4\n1.0\n4.934397 0.000000 0.000000\n0.000000 4.934397 0.000000\n0.000000 0.000000 3.283376\nZr O\n2 4\ndirect\n0.000000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.305412 0.694588 0.500000 O\n0.194588 0.194588 0.000000 O\n0.805412 0.805412 0.000000 O\n0.694588 0.305412 0.500000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"O"
],
"chemical_system": "O-Zr",
"density": 5.118955696624514,
"density_atomic": 0.07505203199390824,
"volume": 79.9445376840297,
"volume_molar": 8.023954315439187,
"formula_full": "Zr2 O4",
"formula_reduced": "ZrO2",
"formula_anonymous": "AB2",
"energy": -59.4662836,
"energy_per_atom": -9.911047266666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.71828360000001,
"band_gap": 3.1299,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.042000Z",
"spacegroup": 136
},
{
"id": "mp-1094485",
"created_at": "2022-09-04T14:46:13.826462Z",
"structure_string": "Mg1 Zn5\n1.0\n1.432634 5.266112 0.000000\n-1.432634 5.266112 0.000000\n0.000000 1.729234 6.347907\nMg Zn\n1 5\ndirect\n0.612679 0.612679 0.274267 Mg\n0.997649 0.997649 0.994901 Zn\n0.335522 0.335522 0.336424 Zn\n0.940864 0.940864 0.619055 Zn\n0.666595 0.666595 0.668564 Zn\n0.280024 0.280024 0.940123 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 6.091204199119078,
"density_atomic": 0.06264196231280722,
"volume": 95.78244005254115,
"volume_molar": 9.613588938877744,
"formula_full": "Mg1 Zn5",
"formula_reduced": "MgZn5",
"formula_anonymous": "AB5",
"energy": -7.88738437,
"energy_per_atom": -1.3145640616666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.88738437,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0057817,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.703000Z",
"spacegroup": 8
},
{
"id": "mp-10058",
"created_at": "2022-09-04T14:46:12.927271Z",
"structure_string": "Yb1 Co3 B2\n1.0\n2.582821 -4.473577 0.000000\n2.582821 4.473577 0.000000\n0.000000 0.000000 2.756735\nYb Co B\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Yb",
"Co",
"B"
],
"chemical_system": "B-Co-Yb",
"density": 9.682528041209444,
"density_atomic": 0.09418397350072293,
"volume": 63.70510583686455,
"volume_molar": 6.394018574671598,
"formula_full": "Yb1 Co3 B2",
"formula_reduced": "YbCo3B2",
"formula_anonymous": "AB2C3",
"energy": -38.70263665,
"energy_per_atom": -6.450439441666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.70263665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003182,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:25.184000Z",
"spacegroup": 191
},
{
"id": "mp-1219819",
"created_at": "2022-09-04T14:46:12.933462Z",
"structure_string": "Pr1 Cu3 Pd2\n1.0\n-2.517930 2.741726 3.640690\n2.517930 -2.741726 3.640690\n2.517930 2.741726 -3.640690\nPr Cu Pd\n1 3 2\ndirect\n0.002457 0.002457 0.000000 Pr\n0.620120 0.368834 0.748713 Cu\n0.620120 0.871407 0.251287 Cu\n0.257806 0.757806 0.500000 Cu\n0.622786 0.374748 0.248038 Pd\n0.126709 0.374748 0.751962 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Cu",
"Pd"
],
"chemical_system": "Cu-Pd-Pr",
"density": 8.991753054538018,
"density_atomic": 0.059681517239443226,
"volume": 100.533637171587,
"volume_molar": 10.090461902701088,
"formula_full": "Pr1 Cu3 Pd2",
"formula_reduced": "PrCu3Pd2",
"formula_anonymous": "AB2C3",
"energy": -29.72828438,
"energy_per_atom": -4.954714063333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.72828438,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.275000Z",
"spacegroup": 44
},
{
"id": "mp-1217347",
"created_at": "2022-09-04T14:46:13.723041Z",
"structure_string": "Th2 Si2 Rh2\n1.0\n4.059759 0.000000 0.000000\n0.000000 3.988572 0.000000\n2.029880 1.994286 7.729204\nTh Si Rh\n2 2 2\ndirect\n0.747432 0.247432 0.505135 Th\n0.002568 0.002568 0.994865 Th\n0.335262 0.835262 0.329476 Si\n0.414738 0.414738 0.170524 Si\n0.182791 0.682791 0.634418 Rh\n0.567209 0.567209 0.865582 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Si",
"Rh"
],
"chemical_system": "Rh-Si-Th",
"density": 9.633143390984612,
"density_atomic": 0.04794008403775235,
"volume": 125.15622616086902,
"volume_molar": 12.561806848852463,
"formula_full": "Th2 Si2 Rh2",
"formula_reduced": "ThSiRh",
"formula_anonymous": "ABC",
"energy": -45.48431953,
"energy_per_atom": -7.580719921666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.48431953,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012191,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.060000Z",
"spacegroup": 74
},
{
"id": "mp-1077157",
"created_at": "2022-09-04T14:46:13.720967Z",
"structure_string": "Ir2 C4\n1.0\n-2.281422 2.281422 2.626063\n2.281422 -2.281422 2.626063\n2.281422 2.281422 -2.626063\nIr C\n2 4\ndirect\n0.750000 0.750000 0.000000 Ir\n0.250000 0.250000 0.000000 Ir\n0.112803 0.612803 0.725607 C\n0.887197 0.387197 0.274393 C\n0.612803 0.887197 0.500000 C\n0.387197 0.112803 0.500000 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ir",
"C"
],
"chemical_system": "C-Ir",
"density": 13.13516491934383,
"density_atomic": 0.10974250467646607,
"volume": 54.673437768608544,
"volume_molar": 5.487518967927683,
"formula_full": "Ir2 C4",
"formula_reduced": "IrC2",
"formula_anonymous": "AB2",
"energy": -46.09223331,
"energy_per_atom": -7.682038885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.09223331,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003657,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.637000Z",
"spacegroup": 140
},
{
"id": "mp-1223954",
"created_at": "2022-09-04T14:46:13.676030Z",
"structure_string": "Ho2 Fe2 Ni2\n1.0\n-2.374141 2.544500 3.706788\n2.374141 -2.544500 3.706788\n2.374141 2.544500 -3.706788\nHo Fe Ni\n2 2 2\ndirect\n0.129648 0.879648 0.250000 Ho\n0.870352 0.120352 0.750000 Ho\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"Fe",
"Ni"
],
"chemical_system": "Fe-Ho-Ni",
"density": 10.362047908655777,
"density_atomic": 0.06698607746443332,
"volume": 89.57085154278123,
"volume_molar": 8.990137933061527,
"formula_full": "Ho2 Fe2 Ni2",
"formula_reduced": "HoFeNi",
"formula_anonymous": "ABC",
"energy": -39.00060487,
"energy_per_atom": -6.500100811666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.00060487,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9444553,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.376000Z",
"spacegroup": 74
},
{
"id": "mp-1076973",
"created_at": "2022-09-04T14:46:19.534079Z",
"structure_string": "Ti2 Ge2 Sb2\n1.0\n3.723991 0.000000 0.000000\n0.000000 3.723991 0.000000\n0.000000 0.000000 8.268548\nTi Ge Sb\n2 2 2\ndirect\n0.000000 0.500000 0.751763 Ti\n0.500000 0.000000 0.248237 Ti\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.000000 Ge\n0.000000 0.500000 0.384227 Sb\n0.500000 0.000000 0.615773 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Ge",
"Sb"
],
"chemical_system": "Ge-Sb-Ti",
"density": 7.016602231845369,
"density_atomic": 0.05232445976344948,
"volume": 114.66912467180819,
"volume_molar": 11.509226826660298,
"formula_full": "Ti2 Ge2 Sb2",
"formula_reduced": "TiGeSb",
"formula_anonymous": "ABC",
"energy": -36.22667592,
"energy_per_atom": -6.037779319999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.84267592,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040695,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:19.333000Z",
"spacegroup": 129
},
{
"id": "mp-1220353",
"created_at": "2022-09-04T14:46:13.628376Z",
"structure_string": "Nd2 Ag2 Pb2\n1.0\n-2.495302 -4.281143 -0.036656\n-2.495302 4.281143 0.036656\n0.000000 -0.069382 -8.055407\nNd Ag Pb\n2 2 2\ndirect\n0.999337 0.000663 0.782136 Nd\n0.000663 0.999337 0.217864 Nd\n0.666740 0.333260 0.990753 Ag\n0.333260 0.666740 0.009247 Ag\n0.330568 0.669432 0.428461 Pb\n0.669432 0.330568 0.571539 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Ag",
"Pb"
],
"chemical_system": "Ag-Nd-Pb",
"density": 8.863737365111382,
"density_atomic": 0.0348644602868511,
"volume": 172.09502027664718,
"volume_molar": 17.273007270017057,
"formula_full": "Nd2 Ag2 Pb2",
"formula_reduced": "NdAgPb",
"formula_anonymous": "ABC",
"energy": -24.04855654,
"energy_per_atom": -4.008092756666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.04855654,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0064519,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.543000Z",
"spacegroup": 164
},
{
"id": "mp-1094313",
"created_at": "2022-09-04T14:46:18.092668Z",
"structure_string": "Sr4 Mg2\n1.0\n2.083600 -10.103381 0.000000\n2.083600 10.103381 0.000000\n0.000000 0.000000 6.190851\nSr Mg\n4 2\ndirect\n0.003872 0.996128 0.000000 Sr\n0.327138 0.672862 0.000000 Sr\n0.664555 0.335445 0.000000 Sr\n0.446491 0.553509 0.500000 Sr\n0.113924 0.886076 0.500000 Mg\n0.777353 0.222647 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.5424856862326877,
"density_atomic": 0.0230191786635641,
"volume": 260.65221907752505,
"volume_molar": 26.161405878186887,
"formula_full": "Sr4 Mg2",
"formula_reduced": "Sr2Mg",
"formula_anonymous": "AB2",
"energy": -9.19840045,
"energy_per_atom": -1.5330667416666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.19840045,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.55e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.401000Z",
"spacegroup": 38
},
{
"id": "mp-1223810",
"created_at": "2022-09-04T14:46:13.577366Z",
"structure_string": "K2 Na1 Cl3\n1.0\n-2.202786 2.202786 9.167381\n2.202786 -2.202786 9.167381\n2.202786 2.202786 -9.167381\nK Na Cl\n2 1 3\ndirect\n0.334256 0.334256 0.000000 K\n0.665744 0.665744 0.000000 K\n0.000000 0.000000 0.000000 Na\n0.842090 0.842090 0.000000 Cl\n0.157910 0.157910 0.000000 Cl\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Na",
"Cl"
],
"chemical_system": "Cl-K-Na",
"density": 1.9369225603046714,
"density_atomic": 0.033721071235279045,
"volume": 177.93029047436633,
"volume_molar": 17.858687578405355,
"formula_full": "K2 Na1 Cl3",
"formula_reduced": "K2NaCl3",
"formula_anonymous": "AB2C3",
"energy": -22.15917797,
"energy_per_atom": -3.693196328333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.31717797,
"band_gap": 4.8309,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.00185,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.240000Z",
"spacegroup": 139
},
{
"id": "mp-1094627",
"created_at": "2022-09-04T14:46:13.552353Z",
"structure_string": "Mg3 Ga3\n1.0\n1.535958 -2.660356 0.000000\n1.535958 2.660356 0.000000\n0.000000 0.000000 15.320364\nMg Ga\n3 3\ndirect\n0.666667 0.333333 0.673604 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.326396 Mg\n0.666667 0.333333 0.000000 Ga\n0.000000 0.000000 0.832450 Ga\n0.000000 0.000000 0.167550 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 3.741186638346975,
"density_atomic": 0.0479217946852907,
"volume": 125.20399203332973,
"volume_molar": 12.566601062310502,
"formula_full": "Mg3 Ga3",
"formula_reduced": "MgGa",
"formula_anonymous": "AB",
"energy": -13.975127,
"energy_per_atom": -2.3291878333333336,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.975127,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0094443,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.695000Z",
"spacegroup": 187
}
]
}