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=-structure_string&page=10275",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-structure_string&page=10273",
"results": [
{
"id": "mp-1018085",
"created_at": "2022-09-04T14:48:14.294612Z",
"structure_string": "Co1 Sn1 Rh2\n1.0\n-2.042369 2.042369 3.582879\n2.042369 -2.042369 3.582879\n2.042369 2.042369 -3.582879\nCo Sn Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Sn\n0.250000 0.750000 0.500000 Rh\n0.750000 0.250000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Co",
"Sn",
"Rh"
],
"chemical_system": "Co-Rh-Sn",
"density": 10.651285801061274,
"density_atomic": 0.0669112955106901,
"volume": 59.78063897090348,
"volume_molar": 9.000185565138057,
"formula_full": "Co1 Sn1 Rh2",
"formula_reduced": "CoSnRh2",
"formula_anonymous": "ABC2",
"energy": -26.69506133,
"energy_per_atom": -6.6737653325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.69506133,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1972025,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:45.634000Z",
"spacegroup": 139
},
{
"id": "mp-1183692",
"created_at": "2022-09-04T14:42:55.602303Z",
"structure_string": "Co1 Sn1 O3\n1.0\n3.742693 0.000000 0.000000\n0.000000 3.742693 0.000000\n0.000000 0.000000 3.742693\nCo Sn O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Sn\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": [
"Co",
"Sn",
"O"
],
"chemical_system": "Co-O-Sn",
"density": 7.146859736015265,
"density_atomic": 0.09537123127858226,
"volume": 52.426711210164086,
"volume_molar": 6.314420689829562,
"formula_full": "Co1 Sn1 O3",
"formula_reduced": "CoSnO3",
"formula_anonymous": "ABC3",
"energy": -31.46229458,
"energy_per_atom": -6.292458915999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.76329458,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0734294,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.321000Z",
"spacegroup": 221
},
{
"id": "mp-24003",
"created_at": "2022-09-04T14:39:20.715279Z",
"structure_string": "Co1 Sn1 H12 O6 F6\n1.0\n4.422362 -4.967572 0.000000\n4.422362 4.967572 0.000000\n-1.157636 0.000000 6.549346\nCo Sn H O F\n1 1 12 6 6\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Sn\n0.893841 0.697088 0.543818 H\n0.543818 0.893841 0.697088 H\n0.697088 0.543818 0.893841 H\n0.106159 0.302912 0.456182 H\n0.456182 0.106159 0.302912 H\n0.302912 0.456182 0.106159 H\n0.803281 0.669690 0.308261 H\n0.308261 0.803281 0.669690 H\n0.669690 0.308261 0.803281 H\n0.691739 0.196719 0.330310 H\n0.330310 0.691739 0.196719 H\n0.196719 0.330310 0.691739 H\n0.438869 0.790021 0.616587 O\n0.616587 0.438869 0.790021 O\n0.209979 0.383413 0.561131 O\n0.561131 0.209979 0.383413 O\n0.383413 0.561131 0.209979 O\n0.790021 0.616587 0.438869 O\n0.066593 0.843109 0.744766 F\n0.744766 0.066593 0.843109 F\n0.843109 0.744766 0.066593 F\n0.933407 0.156891 0.255234 F\n0.156891 0.255234 0.933407 F\n0.255234 0.933407 0.156891 F\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Co",
"Sn",
"H",
"O",
"F"
],
"chemical_system": "Co-F-H-O-Sn",
"density": 2.3066640009545347,
"density_atomic": 0.09035391133847073,
"volume": 287.75732688098657,
"volume_molar": 6.665058181533203,
"formula_full": "Co1 Sn1 H12 O6 F6",
"formula_reduced": "CoSnH12(OF)6",
"formula_anonymous": "ABC6D6E12",
"energy": -136.80207566,
"energy_per_atom": -5.261618294615385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -128.27007566,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.019075,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.258000Z",
"spacegroup": 148
},
{
"id": "mp-561319",
"created_at": "2022-09-04T14:45:18.227908Z",
"structure_string": "Co1 Sn1 F6\n1.0\n4.915003 -2.666664 0.000000\n4.915003 2.666664 0.000000\n3.468189 0.000000 4.386345\nCo Sn F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Sn\n0.129231 0.364035 0.753663 F\n0.364035 0.753663 0.129231 F\n0.246337 0.870769 0.635965 F\n0.635965 0.246337 0.870769 F\n0.870769 0.635965 0.246337 F\n0.753663 0.129231 0.364035 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Co",
"Sn",
"F"
],
"chemical_system": "Co-F-Sn",
"density": 4.211742481988147,
"density_atomic": 0.06957690703726714,
"volume": 114.98067880072621,
"volume_molar": 8.655372905229017,
"formula_full": "Co1 Sn1 F6",
"formula_reduced": "CoSnF6",
"formula_anonymous": "ABC6",
"energy": -43.81325855,
"energy_per_atom": -5.47665731875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.40325855,
"band_gap": 2.6481,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9990207,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:55.566000Z",
"spacegroup": 148
},
{
"id": "mp-551760",
"created_at": "2022-09-04T14:41:58.238930Z",
"structure_string": "Co1 Sn1 C4 Cl3 O4\n1.0\n4.428179 -5.317433 0.000000\n4.428179 5.317433 0.000000\n-1.957087 0.000000 6.637294\nCo Sn C Cl O\n1 1 4 3 4\ndirect\n0.265699 0.265699 0.265699 Co\n0.001788 0.001788 0.001788 Sn\n0.064203 0.299619 0.387939 C\n0.299619 0.387939 0.064203 C\n0.387939 0.064203 0.299619 C\n0.450824 0.450824 0.450824 C\n0.893163 0.701421 0.104591 Cl\n0.701421 0.104591 0.893163 Cl\n0.104591 0.893163 0.701421 Cl\n0.327895 0.472102 0.938700 O\n0.570993 0.570993 0.570993 O\n0.472102 0.938700 0.327895 O\n0.938700 0.327895 0.472102 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Co",
"Sn",
"C",
"Cl",
"O"
],
"chemical_system": "C-Cl-Co-O-Sn",
"density": 2.1039855344641447,
"density_atomic": 0.04159059245862995,
"volume": 312.5706856167309,
"volume_molar": 14.479574355643544,
"formula_full": "Co1 Sn1 C4 Cl3 O4",
"formula_reduced": "CoSnC4Cl3O4",
"formula_anonymous": "ABC3D4E4",
"energy": -86.61103397,
"energy_per_atom": -6.662387228461538,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.38303397,
"band_gap": 3.0475,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007262,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.041000Z",
"spacegroup": 146
},
{
"id": "mp-1226011",
"created_at": "2022-09-04T14:39:16.123747Z",
"structure_string": "Co1 Si4 Ni3\n1.0\n3.232043 0.000000 0.000000\n0.000000 5.217379 0.000000\n0.000000 0.018034 5.686174\nCo Si Ni\n1 4 3\ndirect\n0.000000 0.507328 0.690874 Co\n0.000000 0.677228 0.073565 Si\n0.000000 0.184526 0.424709 Si\n0.500000 0.324329 0.919080 Si\n0.500000 0.812227 0.580840 Si\n0.000000 0.007972 0.811429 Ni\n0.500000 0.492649 0.309954 Ni\n0.500000 0.993740 0.189550 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Co",
"Si",
"Ni"
],
"chemical_system": "Co-Ni-Si",
"density": 6.0155242918319,
"density_atomic": 0.08343347376108569,
"volume": 95.88477668936865,
"volume_molar": 7.21789527455681,
"formula_full": "Co1 Si4 Ni3",
"formula_reduced": "CoSi4Ni3",
"formula_anonymous": "AB3C4",
"energy": -50.05271034,
"energy_per_atom": -6.2565887925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.33671034,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0073345,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.102000Z",
"spacegroup": 6
},
{
"id": "mp-1226006",
"created_at": "2022-09-04T14:45:07.702013Z",
"structure_string": "Co1 Si4 Ni1\n1.0\n6.322511 -1.906698 0.000000\n6.322511 1.906698 0.000000\n5.747502 0.000000 3.252054\nCo Si Ni\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.626682 0.626682 0.626682 Si\n0.123317 0.123317 0.123317 Si\n0.876683 0.876683 0.876683 Si\n0.373318 0.373318 0.373318 Si\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Co",
"Si",
"Ni"
],
"chemical_system": "Co-Ni-Si",
"density": 4.870329908812035,
"density_atomic": 0.07652300246120076,
"volume": 78.4077964405822,
"volume_molar": 7.869713114110216,
"formula_full": "Co1 Si4 Ni1",
"formula_reduced": "CoSi4Ni",
"formula_anonymous": "ABC4",
"energy": -36.96970868,
"energy_per_atom": -6.161618113333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.25370868,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.355000Z",
"spacegroup": 166
},
{
"id": "mp-1078078",
"created_at": "2022-09-04T14:39:12.836721Z",
"structure_string": "Co1 Si2 Se4\n1.0\n1.801641 6.685663 0.000000\n-1.801641 6.685663 0.000000\n0.000000 2.824856 5.591868\nCo Si Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.263749 0.263749 0.715381 Si\n0.736251 0.736251 0.284619 Si\n0.381115 0.381115 0.974577 Se\n0.618885 0.618885 0.025423 Se\n0.116737 0.116737 0.563375 Se\n0.883263 0.883263 0.436625 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Co",
"Si",
"Se"
],
"chemical_system": "Co-Se-Si",
"density": 5.312151930375346,
"density_atomic": 0.05196349998866305,
"volume": 134.7099406607946,
"volume_molar": 11.589174634722179,
"formula_full": "Co1 Si2 Se4",
"formula_reduced": "Co(SiSe2)2",
"formula_anonymous": "AB2C4",
"energy": -34.491476379999995,
"energy_per_atom": -4.927353768571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.60347638,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0120768,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.624000Z",
"spacegroup": 12
},
{
"id": "mp-2379",
"created_at": "2022-09-04T14:42:42.687666Z",
"structure_string": "Co1 Si2\n1.0\n0.000000 2.680069 2.680069\n2.680069 0.000000 2.680069\n2.680069 2.680069 0.000000\nCo Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.750000 0.750000 0.750000 Si\n0.250000 0.250000 0.250000 Si\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Co",
"Si"
],
"chemical_system": "Co-Si",
"density": 4.9644635645178745,
"density_atomic": 0.0779207874928007,
"volume": 38.50063759015754,
"volume_molar": 7.728541963922529,
"formula_full": "Co1 Si2",
"formula_reduced": "CoSi2",
"formula_anonymous": "AB2",
"energy": -19.2231998,
"energy_per_atom": -6.407733266666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.3651998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003825,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:53.739000Z",
"spacegroup": 225
},
{
"id": "mp-24122",
"created_at": "2022-09-04T14:46:57.380464Z",
"structure_string": "Co1 Si1 H12 O6 F6\n1.0\n4.261825 -4.774789 0.000000\n4.261825 4.774789 0.000000\n-1.087671 0.000000 6.307039\nCo Si H O F\n1 1 12 6 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Si\n0.203958 0.312887 0.815332 H\n0.815332 0.203958 0.312887 H\n0.312887 0.815332 0.203958 H\n0.796042 0.687113 0.184668 H\n0.184668 0.796042 0.687113 H\n0.687113 0.184668 0.796042 H\n0.202737 0.402020 0.058201 H\n0.058201 0.202737 0.402020 H\n0.402020 0.058201 0.202737 H\n0.941799 0.797263 0.597980 H\n0.597980 0.941799 0.797263 H\n0.797263 0.597980 0.941799 H\n0.939620 0.128192 0.300186 O\n0.300186 0.939620 0.128192 O\n0.871808 0.699814 0.060380 O\n0.060380 0.871808 0.699814 O\n0.699814 0.060380 0.871808 O\n0.128192 0.300186 0.939620 O\n0.702475 0.670380 0.433206 F\n0.433206 0.702475 0.670380 F\n0.670380 0.433206 0.702475 F\n0.297525 0.329620 0.566794 F\n0.329620 0.566794 0.297525 F\n0.566794 0.297525 0.329620 F\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Co",
"Si",
"H",
"O",
"F"
],
"chemical_system": "Co-F-H-O-Si",
"density": 1.999603595162774,
"density_atomic": 0.10129034222949798,
"volume": 256.68784829545405,
"volume_molar": 5.945424437756731,
"formula_full": "Co1 Si1 H12 O6 F6",
"formula_reduced": "CoSiH12(OF)6",
"formula_anonymous": "ABC6D6E12",
"energy": -141.47263603000002,
"energy_per_atom": -5.441255231923078,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.94063603,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9991227,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:51.223000Z",
"spacegroup": 148
},
{
"id": "mp-22746",
"created_at": "2022-09-04T14:41:06.271851Z",
"structure_string": "Co1 Si1\n1.0\n2.781334 0.000000 0.000000\n0.000000 2.781334 0.000000\n0.000000 0.000000 2.781334\nCo Si\n1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Si\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Co",
"Si"
],
"chemical_system": "Co-Si",
"density": 6.715869199178636,
"density_atomic": 0.09295453041942028,
"volume": 21.515895900670973,
"volume_molar": 6.47858768456738,
"formula_full": "Co1 Si1",
"formula_reduced": "CoSi",
"formula_anonymous": "AB",
"energy": -13.29219782,
"energy_per_atom": -6.64609891,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.36319782,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6461222,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.664000Z",
"spacegroup": 221
},
{
"id": "mp-775217",
"created_at": "2022-09-04T14:45:57.930277Z",
"structure_string": "Co1 Sb3 P6 O24\n1.0\n7.721032 -4.280337 0.000000\n7.721032 4.280337 0.000000\n5.348126 0.000000 7.023758\nCo Sb P O\n1 3 6 24\ndirect\n0.144083 0.144083 0.144083 Co\n0.856863 0.856863 0.856863 Sb\n0.643526 0.643526 0.643526 Sb\n0.356712 0.356712 0.356712 Sb\n0.529712 0.964883 0.247918 P\n0.247918 0.529712 0.964883 P\n0.964883 0.247918 0.529712 P\n0.040300 0.758306 0.454409 P\n0.758306 0.454409 0.040300 P\n0.454409 0.040300 0.758306 P\n0.485285 0.867929 0.724486 O\n0.867929 0.724486 0.485285 O\n0.719494 0.940322 0.076657 O\n0.724486 0.485285 0.867929 O\n0.559282 0.781392 0.423492 O\n0.361399 0.989946 0.223076 O\n0.076657 0.719494 0.940322 O\n0.423492 0.559282 0.781392 O\n0.781392 0.423492 0.559282 O\n0.014907 0.770809 0.636504 O\n0.060695 0.929913 0.278226 O\n0.770809 0.636504 0.014907 O\n0.223076 0.361399 0.989946 O\n0.940322 0.076657 0.719494 O\n0.989946 0.223076 0.361399 O\n0.217914 0.574247 0.443105 O\n0.574247 0.443105 0.217914 O\n0.929913 0.278226 0.060695 O\n0.636504 0.014907 0.770809 O\n0.443105 0.217914 0.574247 O\n0.274991 0.516441 0.132774 O\n0.278226 0.060695 0.929913 O\n0.132774 0.274991 0.516441 O\n0.516441 0.132774 0.274991 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Co",
"Sb",
"P",
"O"
],
"chemical_system": "Co-O-P-Sb",
"density": 3.5555001743981562,
"density_atomic": 0.07323624450472281,
"volume": 464.2510034468989,
"volume_molar": 8.222896737436677,
"formula_full": "Co1 Sb3 P6 O24",
"formula_reduced": "CoSb3(PO4)6",
"formula_anonymous": "AB3C6D24",
"energy": -248.12875163,
"energy_per_atom": -7.297904459705883,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -230.00275163,
"band_gap": 1.616,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.359000Z",
"spacegroup": 146
}
]
}