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=10389",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=10387",
"results": [
{
"id": "mp-501",
"created_at": "2022-09-04T14:46:35.665000Z",
"structure_string": "Ta4 Se8\n1.0\n1.743980 -3.020662 0.000000\n1.743980 3.020662 0.000000\n0.000000 0.000000 27.248077\nTa Se\n4 8\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.250000 Ta\n0.000000 0.000000 0.750000 Ta\n0.333333 0.666667 0.061014 Se\n0.666667 0.333333 0.561014 Se\n0.666667 0.333333 0.938986 Se\n0.333333 0.666667 0.438986 Se\n0.333333 0.666667 0.688640 Se\n0.666667 0.333333 0.188640 Se\n0.666667 0.333333 0.311360 Se\n0.333333 0.666667 0.811360 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ta",
"Se"
],
"chemical_system": "Se-Ta",
"density": 7.840251759461715,
"density_atomic": 0.04179956480882695,
"volume": 287.08432862597465,
"volume_molar": 14.407185308130972,
"formula_full": "Ta4 Se8",
"formula_reduced": "TaSe2",
"formula_anonymous": "AB2",
"energy": -88.78136097,
"energy_per_atom": -7.3984467474999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.00536097,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0109155,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:42.390000Z",
"spacegroup": 194
},
{
"id": "mp-1184000",
"created_at": "2022-09-04T14:46:35.709598Z",
"structure_string": "Ce2 Pu6\n1.0\n6.771678 0.008718 0.000000\n-3.378292 5.824242 0.000000\n0.000000 0.000000 5.212372\nCe Pu\n2 6\ndirect\n0.333575 0.666960 0.750001 Ce\n0.666647 0.333186 0.250000 Ce\n0.164068 0.328047 0.250000 Pu\n0.671677 0.835784 0.250000 Pu\n0.164125 0.835774 0.250000 Pu\n0.835958 0.672060 0.750001 Pu\n0.328184 0.164134 0.750001 Pu\n0.835765 0.164054 0.750001 Pu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ce",
"Pu"
],
"chemical_system": "Ce-Pu",
"density": 14.078553737462192,
"density_atomic": 0.03888612631050026,
"volume": 205.72890022835196,
"volume_molar": 15.486604944689148,
"formula_full": "Ce2 Pu6",
"formula_reduced": "CePu3",
"formula_anonymous": "AB3",
"energy": -95.87112242,
"energy_per_atom": -11.9838903025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.87112242,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 33.8122089,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.359000Z",
"spacegroup": 194
},
{
"id": "mp-867838",
"created_at": "2022-09-04T14:47:03.423293Z",
"structure_string": "Ac2 Au6\n1.0\n3.457651 -5.988828 0.000000\n3.457651 5.988828 0.000000\n0.000000 0.000000 4.768045\nAc Au\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.147049 0.294098 0.250000 Au\n0.705902 0.852951 0.250000 Au\n0.147049 0.852951 0.250000 Au\n0.852951 0.705902 0.750000 Au\n0.294098 0.147049 0.750000 Au\n0.852951 0.147049 0.750000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"Au"
],
"chemical_system": "Ac-Au",
"density": 13.75579860727423,
"density_atomic": 0.04051320952868119,
"volume": 197.46645830013608,
"volume_molar": 14.864635090776124,
"formula_full": "Ac2 Au6",
"formula_reduced": "AcAu3",
"formula_anonymous": "AB3",
"energy": -33.39687901,
"energy_per_atom": -4.17460987625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.39687901,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004834,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.808000Z",
"spacegroup": 194
},
{
"id": "mp-18024",
"created_at": "2022-09-04T14:46:36.051775Z",
"structure_string": "Hf18 B2 Mo8\n1.0\n4.279711 -7.412676 0.000000\n4.279711 7.412676 0.000000\n0.000000 0.000000 8.512523\nHf B Mo\n18 2 8\ndirect\n0.203697 0.407395 0.444600 Hf\n0.203697 0.796303 0.444600 Hf\n0.540454 0.080909 0.250000 Hf\n0.459546 0.540454 0.750000 Hf\n0.080909 0.540454 0.750000 Hf\n0.919091 0.459546 0.250000 Hf\n0.540454 0.459546 0.250000 Hf\n0.459546 0.919091 0.750000 Hf\n0.592605 0.796303 0.444600 Hf\n0.407395 0.203697 0.944600 Hf\n0.796303 0.592605 0.555400 Hf\n0.796303 0.203697 0.944600 Hf\n0.796303 0.592605 0.944600 Hf\n0.203697 0.796303 0.055400 Hf\n0.592605 0.796303 0.055400 Hf\n0.407395 0.203697 0.555400 Hf\n0.796303 0.203697 0.555400 Hf\n0.203697 0.407395 0.055400 Hf\n0.666667 0.333333 0.750000 B\n0.333333 0.666667 0.250000 B\n0.000000 0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.111199 0.222398 0.750000 Mo\n0.888801 0.111199 0.250000 Mo\n0.222398 0.111199 0.250000 Mo\n0.777602 0.888801 0.750000 Mo\n0.111199 0.888801 0.750000 Mo\n0.888801 0.777602 0.250000 Mo\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Hf",
"B",
"Mo"
],
"chemical_system": "B-Hf-Mo",
"density": 12.303942787053405,
"density_atomic": 0.0518418243597114,
"volume": 540.1044493673346,
"volume_molar": 11.616375068544222,
"formula_full": "Hf18 B2 Mo8",
"formula_reduced": "Hf9BMo4",
"formula_anonymous": "AB4C9",
"energy": -284.39281631,
"energy_per_atom": -10.156886296785714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -284.39281631,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002174,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:38.321000Z",
"spacegroup": 194
},
{
"id": "mp-1207152",
"created_at": "2022-09-04T14:46:37.506542Z",
"structure_string": "Fe2 Ni2 Sn2\n1.0\n-2.184809 -3.784201 0.000000\n-2.184809 3.784201 0.000000\n0.000000 0.000000 -5.259676\nFe Ni Sn\n2 2 2\ndirect\n0.666667 0.333333 0.250000 Fe\n0.333333 0.666667 0.750000 Fe\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.666667 0.333333 0.750000 Sn\n0.333333 0.666667 0.250000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Fe",
"Ni",
"Sn"
],
"chemical_system": "Fe-Ni-Sn",
"density": 8.906787816623012,
"density_atomic": 0.06898816451005835,
"volume": 86.9714398492978,
"volume_molar": 8.729237547872408,
"formula_full": "Fe2 Ni2 Sn2",
"formula_reduced": "FeNiSn",
"formula_anonymous": "ABC",
"energy": -35.59878033,
"energy_per_atom": -5.9331300549999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.59878033,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.4096198,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.034000Z",
"spacegroup": 194
},
{
"id": "mp-862866",
"created_at": "2022-09-04T14:46:36.125626Z",
"structure_string": "Pa2 Te6\n1.0\n3.351066 -5.804216 0.000000\n3.351066 5.804216 0.000000\n0.000000 0.000000 5.660660\nPa Te\n2 6\ndirect\n0.666667 0.333333 0.250000 Pa\n0.333333 0.666667 0.750000 Pa\n0.824442 0.175558 0.750000 Te\n0.351117 0.175558 0.750000 Te\n0.824442 0.648883 0.750000 Te\n0.175558 0.824442 0.250000 Te\n0.648883 0.824442 0.250000 Te\n0.175558 0.351117 0.250000 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pa",
"Te"
],
"chemical_system": "Pa-Te",
"density": 9.257799053133144,
"density_atomic": 0.036330081614016525,
"volume": 220.20319373335832,
"volume_molar": 16.57618285579792,
"formula_full": "Pa2 Te6",
"formula_reduced": "PaTe3",
"formula_anonymous": "AB3",
"energy": -43.82187798,
"energy_per_atom": -5.4777347475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.28987798,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014216,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.384000Z",
"spacegroup": 194
},
{
"id": "mp-1192668",
"created_at": "2022-09-04T14:46:36.170201Z",
"structure_string": "K2 V6 Ge4 O18\n1.0\n-2.993489 -5.184614 -0.007956\n-2.993147 5.184418 0.004286\n-0.008492 -0.016353 -13.810756\nK V Ge O\n2 6 4 18\ndirect\n0.333320 0.666580 0.750010 K\n0.666685 0.333411 0.249985 K\n0.500002 0.499999 0.500002 V\n0.500001 0.000003 0.000001 V\n0.500002 0.500000 0.000001 V\n0.000000 0.500002 0.500001 V\n0.500002 0.000000 0.500000 V\n0.999994 0.499997 0.999999 V\n0.999799 0.999819 0.622543 Ge\n0.000200 0.000185 0.377458 Ge\n0.999848 0.000190 0.122380 Ge\n0.000152 0.999810 0.877618 Ge\n0.999828 0.999533 0.749962 O\n0.000167 0.000468 0.250035 O\n0.667139 0.332489 0.568056 O\n0.332864 0.667510 0.431946 O\n0.334694 0.667557 0.068074 O\n0.665302 0.332440 0.931924 O\n0.165441 0.834369 0.585704 O\n0.669891 0.833523 0.586143 O\n0.166193 0.330068 0.586156 O\n0.834564 0.165638 0.414299 O\n0.330109 0.166477 0.413859 O\n0.833807 0.669932 0.413846 O\n0.836143 0.166291 0.086117 O\n0.331077 0.165756 0.085718 O\n0.836193 0.669890 0.086079 O\n0.163852 0.833707 0.913881 O\n0.668919 0.834243 0.914280 O\n0.163808 0.330114 0.913921 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"K",
"V",
"Ge",
"O"
],
"chemical_system": "Ge-K-O-V",
"density": 3.728160596273725,
"density_atomic": 0.06998637532456949,
"volume": 428.65486119079196,
"volume_molar": 8.604733038497368,
"formula_full": "K2 V6 Ge4 O18",
"formula_reduced": "KV3Ge2O9",
"formula_anonymous": "AB2C3D9",
"energy": -235.68170916,
"energy_per_atom": -7.856056972,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -213.11570916,
"band_gap": 1.6321,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0004694,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:36.740000Z",
"spacegroup": 194
},
{
"id": "mp-1183852",
"created_at": "2022-09-04T14:46:36.291880Z",
"structure_string": "Ce6 Au2\n1.0\n6.708125 -0.015383 0.000865\n-3.367369 5.832855 0.001095\n0.000671 0.001345 5.232804\nCe Au\n6 2\ndirect\n0.179034 0.358288 0.250210 Ce\n0.641697 0.820639 0.250109 Ce\n0.178798 0.820638 0.250147 Ce\n0.820619 0.641678 0.749813 Ce\n0.359109 0.179720 0.749881 Ce\n0.820852 0.179087 0.749842 Ce\n0.333426 0.666702 0.750180 Au\n0.666465 0.333246 0.249819 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ce",
"Au"
],
"chemical_system": "Au-Ce",
"density": 10.026380844691188,
"density_atomic": 0.03912447871027917,
"volume": 204.47556782138443,
"volume_molar": 15.392258142516294,
"formula_full": "Ce6 Au2",
"formula_reduced": "Ce3Au",
"formula_anonymous": "AB3",
"energy": -43.61261847,
"energy_per_atom": -5.45157730875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.61261847,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9044687,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.251000Z",
"spacegroup": 194
},
{
"id": "mp-1226460",
"created_at": "2022-09-04T14:46:36.501791Z",
"structure_string": "Co6 P2 W4\n1.0\n2.380409 -4.122989 0.000000\n2.380409 4.122989 0.000000\n0.000000 0.000000 7.316912\nCo P W\n6 2 4\ndirect\n0.831531 0.168469 0.250000 Co\n0.831531 0.663062 0.250000 Co\n0.336938 0.168469 0.250000 Co\n0.168469 0.831531 0.750000 Co\n0.168469 0.336938 0.750000 Co\n0.663062 0.831531 0.750000 Co\n0.000000 0.000000 0.500000 P\n0.000000 0.000000 0.000000 P\n0.333333 0.666667 0.434553 W\n0.666667 0.333333 0.565447 W\n0.666667 0.333333 0.934553 W\n0.333333 0.666667 0.065447 W\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"P",
"W"
],
"chemical_system": "Co-P-W",
"density": 13.306616062118318,
"density_atomic": 0.08355254035185526,
"volume": 143.6222040582581,
"volume_molar": 7.2076094091689455,
"formula_full": "Co6 P2 W4",
"formula_reduced": "Co3PW2",
"formula_anonymous": "AB2C3",
"energy": -108.57323499999998,
"energy_per_atom": -9.047769583333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.57323499999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005348,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.872000Z",
"spacegroup": 194
},
{
"id": "mp-11527",
"created_at": "2022-09-04T14:46:36.508685Z",
"structure_string": "Tm4 Ni34\n1.0\n4.118473 -7.133404 0.000000\n4.118473 7.133404 0.000000\n0.000000 0.000000 7.981611\nTm Ni\n4 34\ndirect\n0.000000 0.000000 0.250000 Tm\n0.000000 0.000000 0.750000 Tm\n0.333333 0.666667 0.750000 Tm\n0.666667 0.333333 0.250000 Tm\n0.333333 0.666667 0.101095 Ni\n0.666667 0.333333 0.601095 Ni\n0.666667 0.333333 0.898905 Ni\n0.333333 0.666667 0.398905 Ni\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.327499 0.958002 0.250000 Ni\n0.369497 0.327499 0.750000 Ni\n0.958002 0.630503 0.750000 Ni\n0.041998 0.369497 0.250000 Ni\n0.630503 0.672501 0.250000 Ni\n0.369497 0.041998 0.750000 Ni\n0.672501 0.630503 0.750000 Ni\n0.672501 0.041998 0.750000 Ni\n0.958002 0.327499 0.750000 Ni\n0.041998 0.672501 0.250000 Ni\n0.630503 0.958002 0.250000 Ni\n0.327499 0.369497 0.250000 Ni\n0.165300 0.330601 0.978055 Ni\n0.834700 0.165300 0.478055 Ni\n0.330601 0.165300 0.478055 Ni\n0.669399 0.834700 0.978055 Ni\n0.165300 0.834700 0.978055 Ni\n0.834700 0.669399 0.021945 Ni\n0.834700 0.165300 0.021945 Ni\n0.834700 0.669399 0.478055 Ni\n0.330601 0.165300 0.021945 Ni\n0.669399 0.834700 0.521945 Ni\n0.165300 0.330601 0.521945 Ni\n0.165300 0.834700 0.521945 Ni\n",
"nsites": 38,
"nelements": 2,
"elements": [
"Tm",
"Ni"
],
"chemical_system": "Ni-Tm",
"density": 9.458454663981351,
"density_atomic": 0.08102704468271857,
"volume": 468.97921735635794,
"volume_molar": 7.43226015903848,
"formula_full": "Tm4 Ni34",
"formula_reduced": "Tm2Ni17",
"formula_anonymous": "A2B17",
"energy": -222.40486745,
"energy_per_atom": -5.852759669736843,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -222.40486745,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.2604157,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:43.018000Z",
"spacegroup": 194
},
{
"id": "mp-1102431",
"created_at": "2022-09-04T14:46:36.542497Z",
"structure_string": "Tb4 Fe8\n1.0\n5.194445 0.000000 0.000000\n-2.597223 4.498521 0.000000\n0.000000 0.000000 8.409558\nTb Fe\n4 8\ndirect\n0.333333 0.666667 0.436868 Tb\n0.666667 0.333333 0.563132 Tb\n0.666667 0.333333 0.936868 Tb\n0.333333 0.666667 0.063132 Tb\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.835254 0.164746 0.250000 Fe\n0.835254 0.670508 0.250000 Fe\n0.329492 0.164746 0.250000 Fe\n0.164746 0.835254 0.750000 Fe\n0.164746 0.329492 0.750000 Fe\n0.670508 0.835254 0.750000 Fe\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Tb",
"Fe"
],
"chemical_system": "Fe-Tb",
"density": 9.147016056432143,
"density_atomic": 0.061065957542523586,
"volume": 196.50883213685367,
"volume_molar": 9.86169873092787,
"formula_full": "Tb4 Fe8",
"formula_reduced": "TbFe2",
"formula_anonymous": "AB2",
"energy": -86.73961961,
"energy_per_atom": -7.228301634166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.73961961,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.3249572,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:34.925000Z",
"spacegroup": 194
},
{
"id": "mp-1186740",
"created_at": "2022-09-04T14:46:37.000814Z",
"structure_string": "Pr6 Zn2\n1.0\n3.567642 -6.179338 0.000000\n3.567642 6.179338 0.000000\n0.000000 0.000000 5.406351\nPr Zn\n6 2\ndirect\n0.176790 0.353581 0.250000 Pr\n0.646419 0.823210 0.250000 Pr\n0.176790 0.823210 0.250000 Pr\n0.823210 0.646419 0.750000 Pr\n0.353581 0.176790 0.750000 Pr\n0.823210 0.176790 0.750000 Pr\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pr",
"Zn"
],
"chemical_system": "Pr-Zn",
"density": 6.8007823311332745,
"density_atomic": 0.03356081771771651,
"volume": 238.37321448150703,
"volume_molar": 17.943963137766325,
"formula_full": "Pr6 Zn2",
"formula_reduced": "Pr3Zn",
"formula_anonymous": "AB3",
"energy": -31.54032298,
"energy_per_atom": -3.9425403725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.54032298,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028781,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.371000Z",
"spacegroup": 194
}
]
}