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=spacegroup&page=11522",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=11520",
"results": [
{
"id": "mp-1113408",
"created_at": "2022-09-04T14:42:11.107787Z",
"structure_string": "Cs2 Pr1 Au1 Cl6\n1.0\n0.000000 5.538539 5.538539\n5.538539 0.000000 5.538539\n5.538539 5.538539 0.000000\nCs Pr Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Au\n0.751022 0.248978 0.248978 Cl\n0.248978 0.248978 0.751022 Cl\n0.248978 0.751022 0.751022 Cl\n0.248978 0.751022 0.248978 Cl\n0.751022 0.248978 0.751022 Cl\n0.751022 0.751022 0.248978 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Pr",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Cs-Pr",
"density": 3.9896803755655705,
"density_atomic": 0.02942959935646212,
"volume": 339.793956379641,
"volume_molar": 20.46287034715498,
"formula_full": "Cs2 Pr1 Au1 Cl6",
"formula_reduced": "Cs2PrAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -41.48171777,
"energy_per_atom": -4.148171777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.79771777,
"band_gap": 1.9281,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004711,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.401000Z",
"spacegroup": 225
},
{
"id": "mp-1110861",
"created_at": "2022-09-04T14:42:11.014474Z",
"structure_string": "K2 Na1 Mo1 Cl6\n1.0\n0.000000 5.187989 5.187989\n5.187989 0.000000 5.187989\n5.187989 5.187989 0.000000\nK Na Mo Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Mo\n0.763299 0.236701 0.236701 Cl\n0.236701 0.236701 0.763299 Cl\n0.236701 0.763299 0.763299 Cl\n0.236701 0.763299 0.236701 Cl\n0.763299 0.236701 0.763299 Cl\n0.763299 0.763299 0.236701 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Mo",
"Cl"
],
"chemical_system": "Cl-K-Mo-Na",
"density": 2.436918106860151,
"density_atomic": 0.03580740633562298,
"volume": 279.2718329350625,
"volume_molar": 16.8181428823815,
"formula_full": "K2 Na1 Mo1 Cl6",
"formula_reduced": "K2NaMoCl6",
"formula_anonymous": "ABC2D6",
"energy": -43.96901958999999,
"energy_per_atom": -4.396901958999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.28501959,
"band_gap": 1.5542000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9988873,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.545000Z",
"spacegroup": 225
},
{
"id": "mp-567498",
"created_at": "2022-09-04T14:42:11.095564Z",
"structure_string": "Rb2 Na1 Tm1 Cl6\n1.0\n0.000000 5.360149 5.360149\n5.360149 0.000000 5.360149\n5.360149 5.360149 0.000000\nRb Na Tm Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Tm\n0.257707 0.742293 0.742293 Cl\n0.742293 0.742293 0.257707 Cl\n0.742293 0.257707 0.257707 Cl\n0.742293 0.257707 0.742293 Cl\n0.257707 0.742293 0.257707 Cl\n0.257707 0.257707 0.742293 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Tm",
"Cl"
],
"chemical_system": "Cl-Na-Rb-Tm",
"density": 3.103075792550128,
"density_atomic": 0.0324667949045538,
"volume": 308.0069969763907,
"volume_molar": 18.548614908567192,
"formula_full": "Rb2 Na1 Tm1 Cl6",
"formula_reduced": "Rb2NaTmCl6",
"formula_anonymous": "ABC2D6",
"energy": -43.53718931,
"energy_per_atom": -4.353718931,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.85318931,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001869,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:40.753000Z",
"spacegroup": 225
},
{
"id": "mp-1367",
"created_at": "2022-09-04T14:42:11.204308Z",
"structure_string": "Mg2 Si1\n1.0\n0.000000 3.182586 3.182586\n3.182586 0.000000 3.182586\n3.182586 3.182586 0.000000\nMg Si\n2 1\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Si\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 1.975370395749873,
"density_atomic": 0.04653190309908781,
"volume": 64.4718956285029,
"volume_molar": 12.94196101796244,
"formula_full": "Mg2 Si1",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy": -9.01205435,
"energy_per_atom": -3.0040181166666664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.08305435,
"band_gap": 0.2179999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001926,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:40.882000Z",
"spacegroup": 225
},
{
"id": "mp-1520655",
"created_at": "2022-09-04T14:42:11.321275Z",
"structure_string": "Ca2 Ga1 Bi1 O6\n1.0\n0.000000 -4.039646 -4.039646\n4.039646 -0.000000 -4.039646\n4.039646 -4.039646 0.000000\nCa Ga Bi O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Ga\n0.000000 -0.000000 -0.000000 Bi\n0.742298 0.257702 0.257702 O\n0.257702 0.742298 0.742298 O\n0.742298 0.257702 0.742298 O\n0.257702 0.742298 0.257702 O\n0.742298 0.742298 0.257702 O\n0.257702 0.257702 0.742298 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"Ga",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-Ga-O",
"density": 5.728790122561155,
"density_atomic": 0.07584729163502639,
"volume": 131.84386395917116,
"volume_molar": 7.939823071044197,
"formula_full": "Ca2 Ga1 Bi1 O6",
"formula_reduced": "Ca2GaBiO6",
"formula_anonymous": "ABC2D6",
"energy": -62.85949228,
"energy_per_atom": -6.285949228,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.73749228,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.103000Z",
"spacegroup": 225
},
{
"id": "mp-504723",
"created_at": "2022-09-04T14:42:11.398441Z",
"structure_string": "Ba4 Ni2 W2 O12\n1.0\n5.025503 0.000031 2.901477\n-3.350318 4.738103 0.000026\n-1.675220 -4.738095 8.704467\nBa Ni W O\n4 2 2 12\ndirect\n0.625000 0.375000 0.125000 Ba\n0.125000 0.875000 0.625000 Ba\n0.875000 0.125000 0.375000 Ba\n0.375000 0.625000 0.875000 Ba\n0.750000 0.250000 0.749999 Ni\n0.250000 0.750000 0.250001 Ni\n0.500000 0.500000 0.500000 W\n0.000000 0.000000 0.999999 W\n0.380333 0.140996 0.380331 O\n0.880334 0.641000 0.880333 O\n0.119667 0.880333 0.119667 O\n0.619667 0.380333 0.619668 O\n0.380332 0.619667 0.380332 O\n0.880334 0.119666 0.880333 O\n0.859004 0.619668 0.380331 O\n0.359000 0.119667 0.880333 O\n0.119667 0.359001 0.119667 O\n0.619667 0.859003 0.619668 O\n0.640999 0.880333 0.119668 O\n0.140997 0.380333 0.619668 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Ni",
"W",
"O"
],
"chemical_system": "Ba-Ni-O-W",
"density": 7.368892709791446,
"density_atomic": 0.07237064834236893,
"volume": 276.35513095564085,
"volume_molar": 8.321247491815512,
"formula_full": "Ba4 Ni2 W2 O12",
"formula_reduced": "Ba2NiWO6",
"formula_anonymous": "ABC2D6",
"energy": -155.80114489,
"energy_per_atom": -7.7900572445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.59914489,
"band_gap": 3.3409,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:41.373000Z",
"spacegroup": 225
},
{
"id": "mp-1186129",
"created_at": "2022-09-04T14:42:11.524455Z",
"structure_string": "Na1 Ca3\n1.0\n0.000000 4.337326 4.337326\n4.337326 0.000000 4.337326\n4.337326 4.337326 0.000000\nNa Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Ca"
],
"chemical_system": "Ca-Na",
"density": 1.4573638882828337,
"density_atomic": 0.0245111562722673,
"volume": 163.19099578854738,
"volume_molar": 24.568978685079987,
"formula_full": "Na1 Ca3",
"formula_reduced": "NaCa3",
"formula_anonymous": "AB3",
"energy": -6.98978282,
"energy_per_atom": -1.747445705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.98978282,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004253,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.647000Z",
"spacegroup": 225
},
{
"id": "mp-642273",
"created_at": "2022-09-04T14:42:11.527420Z",
"structure_string": "U6 Fe16 Si7 C1\n1.0\n0.000000 5.803372 5.803372\n5.803372 0.000000 5.803372\n5.803372 5.803372 0.000000\nU Fe Si C\n6 16 7 1\ndirect\n0.214322 0.214322 0.785678 U\n0.785678 0.214322 0.785678 U\n0.785678 0.785678 0.214322 U\n0.785678 0.214322 0.214322 U\n0.214322 0.785678 0.785678 U\n0.214322 0.785678 0.214322 U\n0.377505 0.867485 0.377505 Fe\n0.825106 0.825106 0.825106 Fe\n0.524682 0.825106 0.825106 Fe\n0.475318 0.174894 0.174894 Fe\n0.825106 0.524682 0.825106 Fe\n0.825106 0.825106 0.524682 Fe\n0.174894 0.174894 0.475318 Fe\n0.132515 0.622495 0.622495 Fe\n0.174894 0.475318 0.174894 Fe\n0.622495 0.622495 0.622495 Fe\n0.867485 0.377505 0.377505 Fe\n0.622495 0.132515 0.622495 Fe\n0.622495 0.622495 0.132515 Fe\n0.174894 0.174894 0.174894 Fe\n0.377505 0.377505 0.377505 Fe\n0.377505 0.377505 0.867485 Fe\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.000000 0.500000 Si\n0.000000 0.500000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.000000 0.000000 0.000000 C\n",
"nsites": 30,
"nelements": 4,
"elements": [
"U",
"Fe",
"Si",
"C"
],
"chemical_system": "C-Fe-Si-U",
"density": 10.748561452545413,
"density_atomic": 0.07674498914344217,
"volume": 390.9050002460452,
"volume_molar": 7.846949784231731,
"formula_full": "U6 Fe16 Si7 C1",
"formula_reduced": "U6Fe16Si7C",
"formula_anonymous": "AB6C7D16",
"energy": -262.46880287,
"energy_per_atom": -8.748960095666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -262.46880287,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3454154,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:40.690000Z",
"spacegroup": 225
},
{
"id": "mp-1111678",
"created_at": "2022-09-04T14:42:14.620071Z",
"structure_string": "K2 Li1 Au1 Cl6\n1.0\n0.000000 5.059649 5.059649\n5.059649 0.000000 5.059649\n5.059649 5.059649 0.000000\nK Li Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Au\n0.751327 0.248673 0.248673 Cl\n0.248673 0.248673 0.751327 Cl\n0.248673 0.751327 0.751327 Cl\n0.248673 0.751327 0.248673 Cl\n0.751327 0.248673 0.751327 Cl\n0.751327 0.751327 0.248673 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-K-Li",
"density": 3.1718093932621856,
"density_atomic": 0.03860191364367914,
"volume": 259.0545145586959,
"volume_molar": 15.600627511859361,
"formula_full": "K2 Li1 Au1 Cl6",
"formula_reduced": "K2LiAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -33.81222215,
"energy_per_atom": -3.3812222149999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.12822215,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3408312,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.581000Z",
"spacegroup": 225
},
{
"id": "mp-972119",
"created_at": "2022-09-04T14:42:11.490775Z",
"structure_string": "Sr1 Ca1 Tl2\n1.0\n0.000000 4.011118 4.011118\n4.011118 0.000000 4.011118\n4.011118 4.011118 0.000000\nSr Ca Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ca\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Tl"
],
"chemical_system": "Ca-Sr-Tl",
"density": 6.901823612279671,
"density_atomic": 0.030990863746240393,
"volume": 129.07029738676624,
"volume_molar": 19.431987469954162,
"formula_full": "Sr1 Ca1 Tl2",
"formula_reduced": "SrCaTl2",
"formula_anonymous": "ABC2",
"energy": -10.15569555,
"energy_per_atom": -2.5389238875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.15569555,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.35e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.655000Z",
"spacegroup": 225
},
{
"id": "mp-1194115",
"created_at": "2022-09-04T14:42:11.861575Z",
"structure_string": "Ti6 Ga16 Ru7\n1.0\n0.000000 6.126283 6.126283\n6.126283 0.000000 6.126283\n6.126283 6.126283 0.000000\nTi Ga Ru\n6 16 7\ndirect\n0.723329 0.723329 0.276671 Ti\n0.276671 0.723329 0.276671 Ti\n0.723329 0.276671 0.276671 Ti\n0.276671 0.276671 0.723329 Ti\n0.723329 0.276671 0.723329 Ti\n0.276671 0.723329 0.723329 Ti\n0.876891 0.876891 0.369328 Ga\n0.876891 0.369328 0.876891 Ga\n0.369328 0.876891 0.876891 Ga\n0.876891 0.876891 0.876891 Ga\n0.123109 0.123109 0.630672 Ga\n0.123109 0.630672 0.123109 Ga\n0.630672 0.123109 0.123109 Ga\n0.123109 0.123109 0.123109 Ga\n0.647860 0.647860 0.056421 Ga\n0.647860 0.056421 0.647860 Ga\n0.056421 0.647860 0.647860 Ga\n0.647860 0.647860 0.647860 Ga\n0.352140 0.352140 0.943579 Ga\n0.352140 0.943579 0.352140 Ga\n0.943579 0.352140 0.352140 Ga\n0.352140 0.352140 0.352140 Ga\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Ti",
"Ga",
"Ru"
],
"chemical_system": "Ga-Ru-Ti",
"density": 7.620156731968562,
"density_atomic": 0.0630633209937168,
"volume": 459.8552620292446,
"volume_molar": 9.549355576437222,
"formula_full": "Ti6 Ga16 Ru7",
"formula_reduced": "Ti6Ga16Ru7",
"formula_anonymous": "A6B7C16",
"energy": -171.52978928,
"energy_per_atom": -5.91482032,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -171.52978928,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0186463,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:36.795000Z",
"spacegroup": 225
},
{
"id": "mp-1207174",
"created_at": "2022-09-04T14:42:14.657838Z",
"structure_string": "Li1 Al2 Ge1\n1.0\n0.000000 3.261232 3.261232\n3.261232 0.000000 3.261232\n3.261232 3.261232 0.000000\nLi Al Ge\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Al\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-Li",
"density": 3.1966762027458433,
"density_atomic": 0.05766136385037807,
"volume": 69.37054091157736,
"volume_molar": 10.44397904917144,
"formula_full": "Li1 Al2 Ge1",
"formula_reduced": "LiAl2Ge",
"formula_anonymous": "ABC2",
"energy": -13.72293172,
"energy_per_atom": -3.43073293,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.72293172,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022583,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.640000Z",
"spacegroup": 225
}
]
}