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=10273",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-structure_string&page=10271",
"results": [
{
"id": "mp-1193515",
"created_at": "2022-09-04T14:39:21.430586Z",
"structure_string": "Co21 Ge2 B6\n1.0\n0.000000 5.227132 5.227132\n5.227132 0.000000 5.227132\n5.227132 5.227132 0.000000\nCo Ge B\n21 2 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.619411 0.619411 0.141766 Co\n0.619411 0.141766 0.619411 Co\n0.141766 0.619411 0.619411 Co\n0.619411 0.619411 0.619411 Co\n0.380589 0.380589 0.858234 Co\n0.380589 0.858234 0.380589 Co\n0.858234 0.380589 0.380589 Co\n0.380589 0.380589 0.380589 Co\n0.000000 0.000000 0.335572 Co\n0.664428 0.000000 0.335572 Co\n0.000000 0.664428 0.335572 Co\n0.664428 0.335572 0.000000 Co\n0.000000 0.335572 0.000000 Co\n0.000000 0.335572 0.664428 Co\n0.335572 0.664428 0.000000 Co\n0.335572 0.000000 0.664428 Co\n0.335572 0.000000 0.000000 Co\n0.000000 0.000000 0.664428 Co\n0.000000 0.664428 0.000000 Co\n0.664428 0.000000 0.000000 Co\n0.750000 0.750000 0.750000 Ge\n0.250000 0.250000 0.250000 Ge\n0.723531 0.723531 0.276469 B\n0.276469 0.723531 0.276469 B\n0.723531 0.276469 0.276469 B\n0.276469 0.276469 0.723531 B\n0.723531 0.276469 0.723531 B\n0.276469 0.723531 0.723531 B\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Co",
"Ge",
"B"
],
"chemical_system": "B-Co-Ge",
"density": 8.416280509340131,
"density_atomic": 0.10152607577740004,
"volume": 285.6409033634241,
"volume_molar": 5.931619747821026,
"formula_full": "Co21 Ge2 B6",
"formula_reduced": "Co21(GeB3)2",
"formula_anonymous": "A2B6C21",
"energy": -204.55853115,
"energy_per_atom": -7.053742453448276,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -204.55853115,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.7932638,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.190000Z",
"spacegroup": 225
},
{
"id": "mp-757299",
"created_at": "2022-09-04T14:40:09.567209Z",
"structure_string": "Co21 Cu3 O32\n1.0\n4.073769 -4.073769 0.000000\n-4.073769 0.000000 -4.073769\n12.209167 12.209167 -8.135399\nCo Cu O\n21 3 32\ndirect\n0.218855 0.937609 0.156464 Co\n0.343749 0.687497 0.031246 Co\n0.718754 0.937609 0.156464 Co\n0.218855 0.437710 0.156464 Co\n0.437788 0.875577 0.313365 Co\n0.093771 0.187543 0.281314 Co\n0.749681 0.499362 0.249043 Co\n0.968601 0.937204 0.406074 Co\n0.468870 0.437472 0.406074 Co\n0.218611 0.937435 0.656259 Co\n0.187350 0.374702 0.562052 Co\n0.843706 0.687411 0.531117 Co\n0.968601 0.437472 0.406074 Co\n0.718824 0.937435 0.656259 Co\n0.249990 0.499980 0.749970 Co\n0.468813 0.937625 0.906189 Co\n0.718824 0.437648 0.656259 Co\n0.937689 0.875378 0.813067 Co\n0.468813 0.437376 0.906189 Co\n0.593699 0.187396 0.781095 Co\n0.968564 0.437376 0.906189 Co\n0.000245 0.000490 0.000735 Cu\n0.687429 0.374858 0.062287 Cu\n0.500050 0.000099 0.500148 Cu\n0.070311 0.583945 0.097578 O\n0.513634 0.583945 0.097578 O\n0.403130 0.806259 0.209389 O\n0.034973 0.069948 0.104921 O\n0.117302 0.791092 0.464883 O\n0.923183 0.846367 0.215745 O\n0.369377 0.292560 0.215745 O\n0.264380 0.528761 0.346951 O\n0.513634 0.027267 0.097578 O\n0.264380 0.082571 0.346951 O\n0.014629 0.582495 0.597124 O\n0.152808 0.305616 0.458424 O\n0.923183 0.292560 0.215745 O\n0.673790 0.791092 0.464883 O\n0.784373 0.568744 0.353117 O\n0.673790 0.347581 0.464883 O\n0.422882 0.845763 0.715526 O\n0.818190 0.082571 0.346951 O\n0.014629 0.029259 0.597124 O\n0.567866 0.582495 0.597124 O\n0.902996 0.805992 0.708988 O\n0.534883 0.069767 0.604650 O\n0.284513 0.569026 0.853539 O\n0.422882 0.292645 0.715526 O\n0.173752 0.791251 0.965003 O\n0.869763 0.292645 0.715526 O\n0.617499 0.791251 0.965003 O\n0.173752 0.347504 0.965003 O\n0.764320 0.528642 0.846770 O\n0.318129 0.082449 0.846770 O\n0.652612 0.305223 0.957835 O\n0.764320 0.082449 0.846770 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Co",
"Cu",
"O"
],
"chemical_system": "Co-Cu-O",
"density": 5.963559551620096,
"density_atomic": 0.1036559966705632,
"volume": 540.2485316694001,
"volume_molar": 5.809736969815082,
"formula_full": "Co21 Cu3 O32",
"formula_reduced": "Co21Cu3O32",
"formula_anonymous": "A3B21C32",
"energy": -392.707298,
"energy_per_atom": -7.0126303214285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -336.325298,
"band_gap": 0.0170000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0035517,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.901000Z",
"spacegroup": 160
},
{
"id": "mp-672221",
"created_at": "2022-09-04T14:45:23.890293Z",
"structure_string": "Co21 B6 W2\n1.0\n6.407479 0.000000 3.699359\n2.135826 6.041029 3.699359\n0.000000 0.000000 7.398719\nCo B W\n21 6 2\ndirect\n0.000000 0.337958 0.662042 Co\n0.337958 0.662042 0.000000 Co\n0.337958 0.000000 0.000000 Co\n0.662042 0.337958 0.000000 Co\n0.337958 0.000000 0.662042 Co\n0.381886 0.381886 0.854343 Co\n0.618114 0.618114 0.618114 Co\n0.000000 0.000000 0.662042 Co\n0.145657 0.618114 0.618114 Co\n0.000000 0.337958 0.000000 Co\n0.000000 0.662042 0.337958 Co\n0.662042 0.000000 0.337958 Co\n0.618114 0.145657 0.618114 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.337958 Co\n0.000000 0.662042 0.000000 Co\n0.662042 0.000000 0.000000 Co\n0.381886 0.854343 0.381886 Co\n0.381886 0.381886 0.381886 Co\n0.854343 0.381886 0.381886 Co\n0.618114 0.618114 0.145657 Co\n0.724858 0.275142 0.275142 B\n0.724858 0.724858 0.275142 B\n0.275142 0.724858 0.724858 B\n0.724858 0.275142 0.724858 B\n0.275142 0.275142 0.724858 B\n0.275142 0.724858 0.275142 B\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.750000 W\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Co",
"B",
"W"
],
"chemical_system": "B-Co-W",
"density": 9.683851799400804,
"density_atomic": 0.1012612659395273,
"volume": 286.38788712476344,
"volume_molar": 5.947131614566611,
"formula_full": "Co21 B6 W2",
"formula_reduced": "Co21(B3W)2",
"formula_anonymous": "A2B6C21",
"energy": -221.66740337,
"energy_per_atom": -7.643703564482758,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -221.66740337,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.1318813,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:10.649000Z",
"spacegroup": 225
},
{
"id": "mp-505544",
"created_at": "2022-09-04T14:47:16.953302Z",
"structure_string": "Co21 B6 Sb2\n1.0\n0.000000 5.271325 5.271325\n5.271325 0.000000 5.271325\n5.271325 5.271325 0.000000\nCo B Sb\n21 6 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.616414 0.616414 0.150759 Co\n0.616414 0.150759 0.616414 Co\n0.150759 0.616414 0.616414 Co\n0.616414 0.616414 0.616414 Co\n0.383586 0.383586 0.849241 Co\n0.383586 0.849241 0.383586 Co\n0.849241 0.383586 0.383586 Co\n0.383586 0.383586 0.383586 Co\n0.000000 0.000000 0.333849 Co\n0.666151 0.000000 0.333849 Co\n0.000000 0.666151 0.333849 Co\n0.666151 0.333849 0.000000 Co\n0.000000 0.333849 0.000000 Co\n0.000000 0.333849 0.666151 Co\n0.333849 0.666151 0.000000 Co\n0.333849 0.000000 0.666151 Co\n0.333849 0.000000 0.000000 Co\n0.000000 0.000000 0.666151 Co\n0.000000 0.666151 0.000000 Co\n0.666151 0.000000 0.000000 Co\n0.723564 0.723564 0.276436 B\n0.276436 0.723564 0.276436 B\n0.723564 0.276436 0.276436 B\n0.276436 0.276436 0.723564 B\n0.723564 0.276436 0.723564 B\n0.276436 0.723564 0.723564 B\n0.750000 0.750000 0.750000 Sb\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Co",
"B",
"Sb"
],
"chemical_system": "B-Co-Sb",
"density": 8.763235097326248,
"density_atomic": 0.09899394296623545,
"volume": 292.94721607251495,
"volume_molar": 6.083342656685584,
"formula_full": "Co21 B6 Sb2",
"formula_reduced": "Co21(B3Sb)2",
"formula_anonymous": "A2B6C21",
"energy": -203.34950365,
"energy_per_atom": -7.01205185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -202.96550365,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.1858871,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:05.807000Z",
"spacegroup": 225
},
{
"id": "mp-542728",
"created_at": "2022-09-04T14:39:58.833981Z",
"structure_string": "Co21 B6 Mo2\n1.0\n0.000000 5.226290 5.226290\n5.226290 0.000000 5.226290\n5.226290 5.226290 0.000000\nCo B Mo\n21 6 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.617995 0.617995 0.146014 Co\n0.617995 0.146014 0.617995 Co\n0.146014 0.617995 0.617995 Co\n0.617995 0.617995 0.617995 Co\n0.382005 0.382005 0.853986 Co\n0.382005 0.853986 0.382005 Co\n0.853986 0.382005 0.382005 Co\n0.382005 0.382005 0.382005 Co\n0.000000 0.000000 0.338576 Co\n0.661424 0.000000 0.338576 Co\n0.000000 0.661424 0.338576 Co\n0.661424 0.338576 0.000000 Co\n0.000000 0.338576 0.000000 Co\n0.000000 0.338576 0.661424 Co\n0.338576 0.661424 0.000000 Co\n0.338576 0.000000 0.661424 Co\n0.338576 0.000000 0.000000 Co\n0.000000 0.000000 0.661424 Co\n0.000000 0.661424 0.000000 Co\n0.661424 0.000000 0.000000 Co\n0.725381 0.725381 0.274619 B\n0.274619 0.725381 0.274619 B\n0.725381 0.274619 0.274619 B\n0.274619 0.274619 0.725381 B\n0.725381 0.274619 0.725381 B\n0.274619 0.725381 0.725381 B\n0.750000 0.750000 0.750000 Mo\n0.250000 0.250000 0.250000 Mo\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Co",
"B",
"Mo"
],
"chemical_system": "B-Co-Mo",
"density": 8.691383424805787,
"density_atomic": 0.10157515383979313,
"volume": 285.50289026132833,
"volume_molar": 5.928753767381215,
"formula_full": "Co21 B6 Mo2",
"formula_reduced": "Co21(B3Mo)2",
"formula_anonymous": "A2B6C21",
"energy": -217.20022615,
"energy_per_atom": -7.489662970689655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -217.20022615,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.9562286,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.815000Z",
"spacegroup": 225
},
{
"id": "mp-54",
"created_at": "2022-09-04T14:47:12.830654Z",
"structure_string": "Co2\n1.0\n1.250392 -2.165742 0.000000\n1.250392 2.165742 0.000000\n0.000000 0.000000 4.033331\nCo\n2\ndirect\n0.333333 0.666667 0.250000 Co\n0.666667 0.333333 0.750000 Co\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Co"
],
"chemical_system": "Co",
"density": 8.95967619453142,
"density_atomic": 0.09155524526734982,
"volume": 21.844734227512735,
"volume_molar": 6.577603219143578,
"formula_full": "Co2",
"formula_reduced": "Co",
"formula_anonymous": "A",
"energy": -14.21663559,
"energy_per_atom": -7.108317795,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.21663559,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.2132757,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:01.915000Z",
"spacegroup": 194
},
{
"id": "mp-1227035",
"created_at": "2022-09-04T14:46:09.355491Z",
"structure_string": "Co20 Sn2 Sb60\n1.0\n4.563521 6.456958 0.000000\n-4.563521 6.456958 0.000000\n0.000000 6.426444 32.257481\nCo Sn Sb\n20 2 60\ndirect\n0.000000 0.500000 0.000000 Co\n0.399685 0.900038 0.200114 Co\n0.800052 0.300032 0.399969 Co\n0.199948 0.699968 0.600031 Co\n0.600315 0.099962 0.799886 Co\n0.199916 0.700085 0.100048 Co\n0.600093 0.099949 0.299949 Co\n0.000000 0.500000 0.500000 Co\n0.399907 0.900051 0.700051 Co\n0.800084 0.299915 0.899952 Co\n0.299915 0.800084 0.899952 Co\n0.700085 0.199916 0.100048 Co\n0.099949 0.600093 0.299949 Co\n0.500000 0.000000 0.500000 Co\n0.900051 0.399907 0.700051 Co\n0.500000 0.000000 0.000000 Co\n0.900038 0.399685 0.200114 Co\n0.300032 0.800052 0.399969 Co\n0.699968 0.199948 0.600031 Co\n0.099962 0.600315 0.799886 Co\n0.299799 0.299799 0.900278 Sn\n0.700201 0.700201 0.099722 Sn\n0.059331 0.740945 0.033356 Sb\n0.459271 0.140858 0.233346 Sb\n0.859573 0.541324 0.433176 Sb\n0.259694 0.941269 0.633154 Sb\n0.660594 0.341223 0.832998 Sb\n0.940669 0.259055 0.966644 Sb\n0.339406 0.658777 0.167002 Sb\n0.740306 0.058731 0.366846 Sb\n0.140427 0.458676 0.566824 Sb\n0.540729 0.859142 0.766654 Sb\n0.740945 0.059331 0.033356 Sb\n0.140858 0.459271 0.233346 Sb\n0.541324 0.859573 0.433176 Sb\n0.941269 0.259694 0.633154 Sb\n0.341223 0.660594 0.832998 Sb\n0.259055 0.940669 0.966644 Sb\n0.658777 0.339406 0.167002 Sb\n0.058731 0.740306 0.366846 Sb\n0.458676 0.140427 0.566824 Sb\n0.859142 0.540729 0.766654 Sb\n0.030320 0.696949 0.931737 Sb\n0.430257 0.096561 0.131779 Sb\n0.829639 0.497678 0.331861 Sb\n0.229521 0.897785 0.531839 Sb\n0.629707 0.297806 0.731810 Sb\n0.969680 0.303052 0.068263 Sb\n0.370293 0.702194 0.268190 Sb\n0.770479 0.102215 0.468161 Sb\n0.170361 0.502322 0.668139 Sb\n0.569743 0.903439 0.868221 Sb\n0.303052 0.969680 0.068263 Sb\n0.702194 0.370293 0.268190 Sb\n0.102215 0.770479 0.468161 Sb\n0.502322 0.170361 0.668139 Sb\n0.903439 0.569743 0.868221 Sb\n0.696949 0.030320 0.931737 Sb\n0.096561 0.430257 0.131779 Sb\n0.497678 0.829639 0.331861 Sb\n0.897785 0.229521 0.531839 Sb\n0.297806 0.629707 0.731810 Sb\n0.471272 0.471272 0.065088 Sb\n0.871276 0.871276 0.265159 Sb\n0.270911 0.270911 0.465002 Sb\n0.670856 0.670856 0.664995 Sb\n0.070292 0.070292 0.864923 Sb\n0.528728 0.528728 0.934912 Sb\n0.929708 0.929708 0.135077 Sb\n0.329144 0.329144 0.335005 Sb\n0.729089 0.729089 0.534998 Sb\n0.128724 0.128724 0.734841 Sb\n0.662090 0.662090 0.001506 Sb\n0.062183 0.062183 0.201467 Sb\n0.461838 0.461838 0.401343 Sb\n0.861884 0.861884 0.601324 Sb\n0.261934 0.261934 0.801115 Sb\n0.337910 0.337910 0.998494 Sb\n0.738066 0.738066 0.198885 Sb\n0.138116 0.138116 0.398676 Sb\n0.538162 0.538162 0.598657 Sb\n0.937817 0.937817 0.798533 Sb\n",
"nsites": 82,
"nelements": 3,
"elements": [
"Co",
"Sn",
"Sb"
],
"chemical_system": "Co-Sb-Sn",
"density": 7.61835102211348,
"density_atomic": 0.04313456192638651,
"volume": 1901.0277684039374,
"volume_molar": 13.961288792679502,
"formula_full": "Co20 Sn2 Sb60",
"formula_reduced": "Co10SnSb30",
"formula_anonymous": "AB10C30",
"energy": -422.28616432,
"energy_per_atom": -5.149831272195122,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -410.7661643199999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1199106,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.722000Z",
"spacegroup": 12
},
{
"id": "mp-1328763",
"created_at": "2022-09-04T14:44:01.325013Z",
"structure_string": "Co20 Sn10 O40\n1.0\n6.197629 0.000000 0.000000\n-3.016449 5.440367 0.000000\n-0.388883 -3.289902 24.988703\nCo Sn O\n20 10 40\ndirect\n0.300012 0.663488 0.048772 Co\n0.212437 0.592826 0.197409 Co\n0.663022 0.330329 0.024827 Co\n0.490092 0.258426 0.254307 Co\n0.409452 0.190674 0.398447 Co\n0.752450 0.128452 0.125037 Co\n0.851470 0.926626 0.225337 Co\n0.689592 0.857855 0.453928 Co\n0.608514 0.790397 0.598419 Co\n0.949745 0.725136 0.325513 Co\n0.049571 0.524812 0.425663 Co\n0.886753 0.457367 0.654024 Co\n0.802125 0.387507 0.799802 Co\n0.149137 0.324683 0.525706 Co\n0.246945 0.123508 0.625847 Co\n0.100089 0.061385 0.851371 Co\n0.345405 0.922808 0.725804 Co\n0.433803 0.713407 0.826578 Co\n0.058040 0.526540 0.921312 Co\n0.548447 0.526391 0.921003 Co\n0.006424 0.988175 0.992390 Sn\n0.752013 0.623216 0.125819 Sn\n0.257375 0.129235 0.125370 Sn\n0.949730 0.224931 0.325613 Sn\n0.449880 0.724964 0.325559 Sn\n0.149054 0.824207 0.525789 Sn\n0.649389 0.324593 0.525851 Sn\n0.345024 0.422978 0.725403 Sn\n0.844187 0.922404 0.726058 Sn\n0.551650 0.022788 0.920752 Sn\n0.461735 0.469978 0.077844 O\n0.927928 0.471525 0.078829 O\n0.550860 0.281654 0.172273 O\n0.460990 0.006102 0.078124 O\n0.656290 0.067290 0.277748 O\n0.046065 0.248765 0.170952 O\n0.956716 0.972756 0.076221 O\n0.584193 0.787144 0.171041 O\n0.120063 0.067414 0.277784 O\n0.748153 0.880228 0.371483 O\n0.656946 0.604029 0.277714 O\n0.048243 0.787005 0.171484 O\n0.243580 0.848840 0.371685 O\n0.855462 0.666795 0.477874 O\n0.153003 0.569646 0.278284 O\n0.779118 0.384159 0.371707 O\n0.319636 0.667078 0.477855 O\n0.947693 0.479790 0.571578 O\n0.855639 0.202798 0.477888 O\n0.245591 0.382240 0.371932 O\n0.442813 0.448406 0.571923 O\n0.050491 0.264569 0.677943 O\n0.977885 0.983300 0.571830 O\n0.351766 0.169331 0.478935 O\n0.517076 0.266211 0.677892 O\n0.145679 0.077717 0.770452 O\n0.051158 0.801434 0.678044 O\n0.444557 0.981786 0.572200 O\n0.636888 0.043340 0.773119 O\n0.256216 0.871922 0.878038 O\n0.170718 0.578635 0.771910 O\n0.547638 0.768336 0.679010 O\n0.730871 0.868179 0.877310 O\n0.361502 0.693464 0.970703 O\n0.257551 0.394826 0.878222 O\n0.638222 0.578784 0.772538 O\n0.837854 0.642601 0.973035 O\n0.744741 0.367756 0.880748 O\n0.377485 0.184440 0.974048 O\n0.839152 0.179619 0.974088 O\n",
"nsites": 70,
"nelements": 3,
"elements": [
"Co",
"Sn",
"O"
],
"chemical_system": "Co-O-Sn",
"density": 5.923835715912932,
"density_atomic": 0.08308077745805582,
"volume": 842.5535020461288,
"volume_molar": 7.248536838789622,
"formula_full": "Co20 Sn10 O40",
"formula_reduced": "Co2SnO4",
"formula_anonymous": "AB2C4",
"energy": -463.95644213,
"energy_per_atom": -6.627949173285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -403.71644213,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1343516,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.257000Z",
"spacegroup": 1
},
{
"id": "mp-531245",
"created_at": "2022-09-04T14:39:58.411942Z",
"structure_string": "Co20 Sn10 O40\n1.0\n5.423350 -0.038004 3.046701\n1.768612 5.096231 3.051401\n0.015544 0.040551 30.435772\nCo Sn O\n20 10 40\ndirect\n0.238968 0.251240 0.048772 Co\n0.012357 0.015029 0.197409 Co\n0.620017 0.638195 0.024827 Co\n0.232960 0.235785 0.254307 Co\n0.012433 0.011006 0.398447 Co\n0.621474 0.627413 0.125037 Co\n0.622701 0.626133 0.225337 Co\n0.234290 0.235665 0.453928 Co\n0.012764 0.010095 0.598419 Co\n0.623837 0.624232 0.325513 Co\n0.623863 0.623908 0.425663 Co\n0.234586 0.232730 0.654024 Co\n0.012889 0.002323 0.799802 Co\n0.623904 0.623431 0.525706 Co\n0.624799 0.621098 0.625847 Co\n0.235874 0.248718 0.851371 Co\n0.625584 0.619601 0.725804 Co\n0.633437 0.607225 0.826578 Co\n0.630835 0.136728 0.921312 Co\n0.631603 0.627444 0.921003 Co\n0.027045 0.014034 0.992390 Sn\n0.125145 0.626194 0.125819 Sn\n0.620026 0.132006 0.125370 Sn\n0.123843 0.624117 0.325613 Sn\n0.623918 0.124321 0.325559 Sn\n0.124214 0.623265 0.525789 Sn\n0.623705 0.123537 0.525851 Sn\n0.126215 0.619621 0.725403 Sn\n0.625480 0.118129 0.726058 Sn\n0.135707 0.630897 0.920752 Sn\n0.374333 0.383890 0.077844 O\n0.370816 0.849099 0.078829 O\n0.373800 0.378587 0.172273 O\n0.837650 0.382866 0.078124 O\n0.377214 0.378542 0.277748 O\n0.409330 0.875113 0.170952 O\n0.874801 0.880495 0.076221 O\n0.870774 0.413152 0.171041 O\n0.377019 0.842279 0.277784 O\n0.376806 0.376670 0.371483 O\n0.840543 0.379232 0.277714 O\n0.870026 0.876759 0.171484 O\n0.407790 0.871895 0.371685 O\n0.377457 0.377588 0.477874 O\n0.873786 0.874719 0.278284 O\n0.872427 0.407411 0.371707 O\n0.377212 0.841781 0.477855 O\n0.377054 0.376115 0.571578 O\n0.841426 0.377751 0.477888 O\n0.873896 0.873659 0.371932 O\n0.407748 0.870889 0.571923 O\n0.379544 0.372548 0.677943 O\n0.873039 0.406055 0.571830 O\n0.872799 0.872831 0.478935 O\n0.378004 0.839184 0.677892 O\n0.381379 0.375227 0.770452 O\n0.842478 0.373114 0.678044 O\n0.873813 0.872356 0.572201 O\n0.410422 0.863769 0.773119 O\n0.372002 0.378178 0.878038 O\n0.877544 0.398807 0.771910 O\n0.873644 0.868628 0.679010 O\n0.377201 0.853561 0.877310 O\n0.365130 0.390799 0.970703 O\n0.848731 0.379330 0.878222 O\n0.876140 0.865684 0.772538 O\n0.411329 0.864819 0.973035 O\n0.870749 0.863994 0.880748 O\n0.867465 0.403437 0.974048 O\n0.872206 0.865065 0.974088 O\n",
"nsites": 70,
"nelements": 3,
"elements": [
"Co",
"Sn",
"O"
],
"chemical_system": "Co-O-Sn",
"density": 5.923835835688201,
"density_atomic": 0.08308077913788336,
"volume": 842.5534850103643,
"volume_molar": 7.248536692229948,
"formula_full": "Co20 Sn10 O40",
"formula_reduced": "Co2SnO4",
"formula_anonymous": "AB2C4",
"energy": -493.98032629,
"energy_per_atom": -7.056861804142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -433.74032629,
"band_gap": 0.0958999999999994,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 59.9957601,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.381000Z",
"spacegroup": 1
},
{
"id": "mp-1245339",
"created_at": "2022-09-04T14:41:30.978718Z",
"structure_string": "Co20 Si8 N24\n1.0\n10.295073 0.000000 0.000000\n0.000000 10.295073 -0.000000\n0.000000 0.000000 5.153860\nCo Si N\n20 8 24\ndirect\n0.313971 0.110103 0.774518 Co\n0.186029 0.610103 0.774518 Co\n0.686029 0.889897 0.774518 Co\n0.813971 0.389897 0.774518 Co\n0.889897 0.313971 0.225482 Co\n0.610103 0.813971 0.225482 Co\n0.110103 0.686029 0.225482 Co\n0.389897 0.186029 0.225482 Co\n0.500000 0.000000 -0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.410847 0.423392 0.696279 Co\n0.089153 0.923392 0.696279 Co\n0.589153 0.576608 0.696279 Co\n0.910847 0.076608 0.696279 Co\n0.576608 0.410847 0.303721 Co\n0.923392 0.910847 0.303721 Co\n0.423392 0.589153 0.303721 Co\n0.076608 0.089153 0.303721 Co\n0.500000 0.000000 0.500000 Co\n-0.000000 0.500000 0.500000 Co\n0.615883 0.234466 0.759820 Si\n0.884117 0.734466 0.759820 Si\n0.384117 0.765534 0.759820 Si\n0.115883 0.265534 0.759820 Si\n0.765534 0.615883 0.240180 Si\n0.734466 0.115883 0.240180 Si\n0.234466 0.384117 0.240180 Si\n0.265534 0.884117 0.240180 Si\n0.472623 0.177447 0.897997 N\n0.027377 0.677447 0.897997 N\n0.527377 0.822553 0.897997 N\n0.972623 0.322553 0.897997 N\n0.822553 0.472623 0.102003 N\n0.677447 0.972623 0.102003 N\n0.177447 0.527377 0.102003 N\n0.322553 0.027377 0.102003 N\n0.634147 0.396626 0.659650 N\n0.865853 0.896626 0.659650 N\n0.365853 0.603374 0.659650 N\n0.134147 0.103374 0.659650 N\n0.603374 0.634147 0.340350 N\n0.896626 0.134147 0.340350 N\n0.396626 0.365853 0.340350 N\n0.103374 0.865853 0.340350 N\n0.229396 0.270604 0.000000 N\n0.270604 0.770604 0.000000 N\n0.770604 0.729396 -0.000000 N\n0.729396 0.229396 -0.000000 N\n0.630706 0.130706 0.500000 N\n0.869294 0.630706 0.500000 N\n0.369294 0.869294 0.500000 N\n0.130706 0.369294 0.500000 N\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Co",
"Si",
"N"
],
"chemical_system": "Co-N-Si",
"density": 5.287912066533435,
"density_atomic": 0.09519450185635317,
"volume": 546.2500353063151,
"volume_molar": 6.326143466864614,
"formula_full": "Co20 Si8 N24",
"formula_reduced": "Co5(SiN3)2",
"formula_anonymous": "A2B5C6",
"energy": -383.05472055,
"energy_per_atom": -7.366436933653846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -374.39072055,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.9715792,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.754000Z",
"spacegroup": 117
},
{
"id": "mp-1226477",
"created_at": "2022-09-04T14:42:23.260426Z",
"structure_string": "Co20 Sb60 I4\n1.0\n4.554195 6.444913 0.000000\n-4.554195 6.444913 0.000000\n0.000000 6.400402 32.114444\nCo Sb I\n20 60 4\ndirect\n0.099973 0.600034 0.799948 Co\n0.500000 0.000000 0.000000 Co\n0.900027 0.399966 0.200052 Co\n0.298726 0.800105 0.400670 Co\n0.701274 0.199894 0.599330 Co\n0.299960 0.800170 0.900035 Co\n0.700040 0.199830 0.099965 Co\n0.099994 0.599915 0.300173 Co\n0.500000 0.000000 0.500000 Co\n0.900006 0.400085 0.699827 Co\n0.800170 0.299960 0.900035 Co\n0.199830 0.700040 0.099965 Co\n0.599915 0.099994 0.300173 Co\n0.000000 0.500000 0.500000 Co\n0.400085 0.900006 0.699827 Co\n0.600034 0.099973 0.799948 Co\n0.000000 0.500000 0.000000 Co\n0.399966 0.900027 0.200052 Co\n0.800106 0.298726 0.400670 Co\n0.199895 0.701274 0.599330 Co\n0.162322 0.841167 0.832797 Sb\n0.562504 0.241110 0.032798 Sb\n0.962254 0.641458 0.232766 Sb\n0.360653 0.040757 0.433080 Sb\n0.761333 0.441306 0.632827 Sb\n0.037746 0.358542 0.767234 Sb\n0.437496 0.758890 0.967202 Sb\n0.837678 0.158833 0.167203 Sb\n0.238667 0.558694 0.367173 Sb\n0.639347 0.959243 0.566920 Sb\n0.841167 0.162322 0.832797 Sb\n0.241110 0.562504 0.032798 Sb\n0.641458 0.962254 0.232766 Sb\n0.040757 0.360653 0.433080 Sb\n0.441306 0.761333 0.632827 Sb\n0.358542 0.037746 0.767234 Sb\n0.758890 0.437496 0.967202 Sb\n0.158833 0.837678 0.167203 Sb\n0.558694 0.238667 0.367173 Sb\n0.959243 0.639347 0.566920 Sb\n0.128358 0.800382 0.731965 Sb\n0.528255 0.200463 0.931985 Sb\n0.928208 0.600235 0.132004 Sb\n0.327863 0.000175 0.332046 Sb\n0.730411 0.398500 0.531922 Sb\n0.071792 0.399765 0.867996 Sb\n0.471745 0.799537 0.068015 Sb\n0.871642 0.199618 0.268035 Sb\n0.269589 0.601500 0.468078 Sb\n0.672137 0.999825 0.667954 Sb\n0.399765 0.071792 0.867996 Sb\n0.799537 0.471745 0.068015 Sb\n0.199618 0.871642 0.268035 Sb\n0.601500 0.269589 0.468078 Sb\n0.999825 0.672137 0.667954 Sb\n0.800382 0.128358 0.731965 Sb\n0.200463 0.528255 0.931985 Sb\n0.600235 0.928208 0.132004 Sb\n0.000175 0.327863 0.332046 Sb\n0.398500 0.730411 0.531922 Sb\n0.569243 0.569243 0.864976 Sb\n0.969343 0.969343 0.065006 Sb\n0.369497 0.369497 0.265047 Sb\n0.770260 0.770260 0.465157 Sb\n0.169640 0.169640 0.664954 Sb\n0.630503 0.630503 0.734953 Sb\n0.030657 0.030657 0.934994 Sb\n0.430757 0.430757 0.135024 Sb\n0.830360 0.830360 0.335046 Sb\n0.229740 0.229740 0.534843 Sb\n0.762364 0.762364 0.800821 Sb\n0.162524 0.162524 0.000706 Sb\n0.562337 0.562337 0.200662 Sb\n0.962486 0.962486 0.401133 Sb\n0.362085 0.362085 0.600938 Sb\n0.437663 0.437663 0.799338 Sb\n0.837476 0.837476 0.999293 Sb\n0.237636 0.237636 0.199179 Sb\n0.637915 0.637915 0.399062 Sb\n0.037514 0.037514 0.598867 Sb\n0.400290 0.400290 0.699654 I\n0.799953 0.799953 0.900001 I\n0.200047 0.200047 0.099999 I\n0.599710 0.599710 0.300346 I\n",
"nsites": 84,
"nelements": 3,
"elements": [
"Co",
"Sb",
"I"
],
"chemical_system": "Co-I-Sb",
"density": 7.92028120871873,
"density_atomic": 0.04455743699057282,
"volume": 1885.2071769247452,
"volume_molar": 13.515455930003618,
"formula_full": "Co20 Sb60 I4",
"formula_reduced": "Co5Sb15I",
"formula_anonymous": "AB5C15",
"energy": -420.29578047,
"energy_per_atom": -5.0035211960714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -407.25978047000007,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1122389,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.521000Z",
"spacegroup": 12
},
{
"id": "mp-1203728",
"created_at": "2022-09-04T14:42:28.783110Z",
"structure_string": "Co20 P8 O48\n1.0\n5.430657 0.000000 0.000000\n0.000000 8.889547 0.000000\n0.000000 0.000000 16.942566\nCo P O\n20 8 48\ndirect\n0.055480 0.628420 0.627509 Co\n0.555480 0.871580 0.372491 Co\n0.944520 0.128420 0.872491 Co\n0.444520 0.371580 0.127509 Co\n0.530212 0.632189 0.525796 Co\n0.030212 0.867811 0.474204 Co\n0.469788 0.132189 0.974204 Co\n0.969788 0.367811 0.025796 Co\n0.564013 0.634516 0.720242 Co\n0.064013 0.865484 0.279758 Co\n0.435987 0.134516 0.779758 Co\n0.935987 0.365484 0.220242 Co\n0.717182 0.226089 0.429622 Co\n0.217182 0.273911 0.570378 Co\n0.282818 0.726089 0.070378 Co\n0.782818 0.773911 0.929622 Co\n0.410883 0.497296 0.318650 Co\n0.910883 0.002704 0.681350 Co\n0.589117 0.997296 0.181350 Co\n0.089117 0.502704 0.818650 Co\n0.680489 0.318378 0.621360 P\n0.180489 0.181622 0.378640 P\n0.319511 0.818378 0.878640 P\n0.819511 0.681622 0.121360 P\n0.878549 0.566940 0.374296 P\n0.378549 0.933060 0.625704 P\n0.121451 0.066940 0.125704 P\n0.621451 0.433060 0.874296 P\n0.428185 0.257996 0.359048 O\n0.928185 0.242004 0.640952 O\n0.571815 0.757996 0.140952 O\n0.071815 0.742004 0.859048 O\n0.713205 0.495887 0.622693 O\n0.213205 0.004113 0.377307 O\n0.286795 0.995887 0.877307 O\n0.786795 0.504113 0.122693 O\n0.469995 0.269725 0.676894 O\n0.969995 0.230275 0.323106 O\n0.530005 0.769725 0.823106 O\n0.030005 0.730275 0.176894 O\n0.587322 0.278905 0.536944 O\n0.087322 0.221095 0.463056 O\n0.412678 0.778905 0.963056 O\n0.912678 0.721095 0.036944 O\n0.886174 0.743948 0.376445 O\n0.386174 0.756052 0.623555 O\n0.113826 0.243948 0.123555 O\n0.613826 0.256052 0.876445 O\n0.676840 0.507753 0.431646 O\n0.176840 0.992247 0.568354 O\n0.323160 0.007753 0.068354 O\n0.823160 0.492247 0.931646 O\n0.134161 0.508444 0.390858 O\n0.634161 0.991556 0.609142 O\n0.865839 0.008444 0.109142 O\n0.365839 0.491556 0.890858 O\n0.776181 0.522233 0.291064 O\n0.276181 0.977767 0.708936 O\n0.223819 0.022233 0.208936 O\n0.723819 0.477767 0.791064 O\n0.242415 0.557199 0.720258 O\n0.742415 0.942801 0.279742 O\n0.757585 0.057199 0.779742 O\n0.257585 0.442801 0.220258 O\n0.373189 0.754587 0.309664 O\n0.873189 0.745413 0.690336 O\n0.626811 0.254587 0.190336 O\n0.126811 0.245413 0.809664 O\n0.891565 0.725222 0.537687 O\n0.391565 0.774778 0.462313 O\n0.108435 0.225222 0.962313 O\n0.608435 0.274778 0.037687 O\n0.230795 0.504676 0.565060 O\n0.730795 0.995324 0.434940 O\n0.769205 0.004676 0.934940 O\n0.269205 0.495324 0.065060 O\n",
"nsites": 76,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 4.4551126345528616,
"density_atomic": 0.09291854531328755,
"volume": 817.9206825048286,
"volume_molar": 6.481096684946509,
"formula_full": "Co20 P8 O48",
"formula_reduced": "Co5(PO6)2",
"formula_anonymous": "A2B5C12",
"energy": -552.9467146899999,
"energy_per_atom": -7.275614666973683,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -487.21071469,
"band_gap": 0.0300000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 67.9722729,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:54.943000Z",
"spacegroup": 19
}
]
}