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=-formation_energy_per_atom&page=5",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=3",
"results": [
{
"id": "mp-976115",
"created_at": "2022-09-04T14:40:42.539403Z",
"structure_string": "K6 Rb2\n1.0\n4.799152 -8.312374 0.000000\n4.799152 8.312374 0.000000\n0.000000 0.000000 7.808540\nK Rb\n6 2\ndirect\n0.165220 0.330441 0.250000 K\n0.669559 0.834780 0.250000 K\n0.165220 0.834780 0.250000 K\n0.834780 0.669559 0.750000 K\n0.330441 0.165220 0.750000 K\n0.834780 0.165220 0.750000 K\n0.333333 0.666667 0.750000 Rb\n0.666667 0.333333 0.250000 Rb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Rb"
],
"chemical_system": "K-Rb",
"density": 1.0808806528324195,
"density_atomic": 0.012841051018490026,
"volume": 623.0019636617499,
"volume_molar": 46.89756898659328,
"formula_full": "K6 Rb2",
"formula_reduced": "K3Rb",
"formula_anonymous": "AB3",
"energy": -8.45005508,
"energy_per_atom": -1.056256885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.45005508,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1103213,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.322000Z",
"spacegroup": 194
},
{
"id": "mp-1198068",
"created_at": "2022-09-04T14:40:42.573031Z",
"structure_string": "Cu8 As4 H8 O24\n1.0\n5.410322 0.000000 0.000000\n1.663381 8.910150 0.000000\n1.345039 2.435446 9.545393\nCu As H O\n8 4 8 24\ndirect\n0.766723 0.491853 0.746675 Cu\n0.233277 0.508147 0.253325 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.136344 0.104295 0.871646 Cu\n0.863656 0.895705 0.128354 Cu\n0.413208 0.001895 0.363736 Cu\n0.586792 0.998105 0.636264 Cu\n0.589777 0.247132 0.041332 As\n0.410223 0.752868 0.958668 As\n0.069871 0.246912 0.541004 As\n0.930129 0.753088 0.458996 As\n0.480625 0.314447 0.729731 H\n0.519375 0.685553 0.270269 H\n0.191478 0.532118 0.757992 H\n0.808522 0.467882 0.242008 H\n0.604025 0.069567 0.847275 H\n0.395975 0.930433 0.152725 H\n0.160700 0.154297 0.192065 H\n0.839300 0.845703 0.807935 H\n0.296901 0.253372 0.993063 O\n0.703099 0.746628 0.006937 O\n0.599387 0.235484 0.211382 O\n0.400613 0.764516 0.788618 O\n0.729753 0.410484 0.943754 O\n0.270247 0.589516 0.056246 O\n0.798440 0.091615 0.981396 O\n0.201560 0.908385 0.018604 O\n0.041516 0.267027 0.712274 O\n0.958484 0.732973 0.287726 O\n0.783558 0.258110 0.490189 O\n0.216442 0.741890 0.509811 O\n0.295869 0.080325 0.529177 O\n0.704131 0.919675 0.470823 O\n0.222561 0.406159 0.447794 O\n0.777439 0.593841 0.552206 O\n0.478927 0.428296 0.700811 O\n0.521073 0.571704 0.299189 O\n0.022538 0.573640 0.799725 O\n0.977462 0.426360 0.200275 O\n0.471752 0.096647 0.780299 O\n0.528248 0.903353 0.219701 O\n0.125180 0.071926 0.276597 O\n0.874820 0.928074 0.723403 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Cu",
"As",
"H",
"O"
],
"chemical_system": "As-Cu-H-O",
"density": 4.330777429065595,
"density_atomic": 0.0956204391960603,
"volume": 460.15266578918687,
"volume_molar": 6.29796391925391,
"formula_full": "Cu8 As4 H8 O24",
"formula_reduced": "Cu2As(HO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -248.74990696,
"energy_per_atom": -5.6534069763636365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -232.26190696,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6158525,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:07.008000Z",
"spacegroup": 2
},
{
"id": "mp-754756",
"created_at": "2022-09-04T14:40:42.585986Z",
"structure_string": "Li2 Ni1 O2\n1.0\n-3.071120 -0.000002 -0.000002\n-1.535559 2.659630 -0.000021\n-0.000004 1.773136 -6.408949\nLi Ni O\n2 1 2\ndirect\n0.762817 0.474366 0.288458 Li\n0.237183 0.525634 0.711542 Li\n0.000000 0.000000 0.000000 Ni\n0.603482 0.793036 0.810437 O\n0.396518 0.206964 0.189563 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 3.3171840128997103,
"density_atomic": 0.09551375511075953,
"volume": 52.3484810559684,
"volume_molar": 6.304998429824703,
"formula_full": "Li2 Ni1 O2",
"formula_reduced": "Li2NiO2",
"formula_anonymous": "AB2C2",
"energy": -27.70996214,
"energy_per_atom": -5.5419924279999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.79496214,
"band_gap": 1.938,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.0001366,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.468000Z",
"spacegroup": 166
},
{
"id": "mp-1223324",
"created_at": "2022-09-04T14:40:42.690044Z",
"structure_string": "Li16 Mo8 O24\n1.0\n-6.163123 0.000000 0.000000\n-0.037542 -8.667841 0.000000\n2.974060 4.099794 9.096543\nLi Mo O\n16 8 24\ndirect\n0.171902 0.175144 0.838880 Li\n0.828098 0.824856 0.161120 Li\n0.500000 0.500000 0.500000 Li\n0.655209 0.661693 0.840463 Li\n0.344791 0.338307 0.159537 Li\n0.000000 0.000000 0.500000 Li\n0.832096 0.336832 0.673267 Li\n0.500000 0.000000 0.000000 Li\n0.167904 0.663168 0.326733 Li\n0.000000 0.000000 0.000000 Li\n0.661687 0.655970 0.319332 Li\n0.338313 0.344030 0.680668 Li\n0.825761 0.337259 0.162604 Li\n0.500000 0.000000 0.500000 Li\n0.174239 0.662741 0.837396 Li\n0.500000 0.500000 0.000000 Li\n0.658419 0.172843 0.840820 Mo\n0.341581 0.827157 0.159180 Mo\n0.000000 0.500000 0.500000 Mo\n0.169164 0.166013 0.331996 Mo\n0.830836 0.833987 0.668004 Mo\n0.000000 0.500000 0.000000 Mo\n0.666414 0.167896 0.331936 Mo\n0.333586 0.832104 0.668064 Mo\n0.319723 0.582444 0.159764 O\n0.996757 0.247626 0.497312 O\n0.662939 0.918242 0.832828 O\n0.144830 0.425616 0.847764 O\n0.845562 0.090269 0.182770 O\n0.507175 0.760388 0.516395 O\n0.018412 0.744246 0.009985 O\n0.672369 0.403031 0.333670 O\n0.349642 0.074055 0.673512 O\n0.493587 0.755817 0.008188 O\n0.165744 0.400625 0.334726 O\n0.819611 0.073005 0.672794 O\n0.680277 0.417556 0.840236 O\n0.337061 0.081758 0.167172 O\n0.003243 0.752374 0.502688 O\n0.855170 0.574384 0.152236 O\n0.492825 0.239612 0.483605 O\n0.154438 0.909731 0.817230 O\n0.981588 0.255754 0.990015 O\n0.650358 0.925945 0.326488 O\n0.327631 0.596969 0.666330 O\n0.506413 0.244183 0.991812 O\n0.180389 0.926995 0.327206 O\n0.834256 0.599375 0.665274 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Li",
"Mo",
"O"
],
"chemical_system": "Li-Mo-O",
"density": 4.3143316369805715,
"density_atomic": 0.09877637620100675,
"volume": 485.946152775655,
"volume_molar": 6.096741945407206,
"formula_full": "Li16 Mo8 O24",
"formula_reduced": "Li2MoO3",
"formula_anonymous": "AB2C3",
"energy": -338.59947831,
"energy_per_atom": -7.054155798125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -296.49547831,
"band_gap": 1.4571,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0000331,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.286000Z",
"spacegroup": 2
},
{
"id": "mp-760145",
"created_at": "2022-09-04T14:40:40.726722Z",
"structure_string": "Li4 Mn3 Nb3 Sn2 O16\n1.0\n3.067565 5.490281 0.000000\n-3.067565 5.490281 0.000000\n0.000000 0.267060 10.067731\nLi Mn Nb Sn O\n4 3 3 2 16\ndirect\n0.671134 0.671134 0.907955 Li\n0.002592 0.002592 0.996273 Li\n0.004671 0.004671 0.483405 Li\n0.344795 0.344795 0.392737 Li\n0.829288 0.340348 0.210726 Mn\n0.340348 0.829288 0.210726 Mn\n0.166502 0.166502 0.714043 Mn\n0.829363 0.829363 0.216798 Nb\n0.658246 0.166190 0.713030 Nb\n0.166190 0.658246 0.713030 Nb\n0.659398 0.659398 0.481921 Sn\n0.324712 0.324712 0.999059 Sn\n0.817534 0.323452 0.600212 O\n0.522596 0.522596 0.349869 O\n0.686443 0.686443 0.101984 O\n0.988985 0.988985 0.303371 O\n0.993538 0.993538 0.812839 O\n0.323452 0.817534 0.600212 O\n0.970178 0.536181 0.348599 O\n0.536181 0.970178 0.348599 O\n0.157915 0.157915 0.084405 O\n0.829599 0.829599 0.604185 O\n0.499045 0.043280 0.839546 O\n0.043280 0.499045 0.839546 O\n0.339593 0.339593 0.599503 O\n0.662136 0.152916 0.097447 O\n0.480470 0.480470 0.840389 O\n0.152916 0.662136 0.097447 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Nb",
"Sn",
"O"
],
"chemical_system": "Li-Mn-Nb-O-Sn",
"density": 4.723836805640641,
"density_atomic": 0.082567300509835,
"volume": 339.11729979188044,
"volume_molar": 7.293614691063653,
"formula_full": "Li4 Mn3 Nb3 Sn2 O16",
"formula_reduced": "Li4Mn3Nb3(SnO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -220.53092307,
"energy_per_atom": -7.876104395357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -204.53492307,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.0147867,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.504000Z",
"spacegroup": 8
},
{
"id": "mp-771217",
"created_at": "2022-09-04T14:40:40.731007Z",
"structure_string": "Na8 Co4 P2 C8 O32\n1.0\n0.000000 6.947226 7.192813\n6.925495 0.000000 7.192813\n6.925495 6.947226 0.000000\nNa Co P C O\n8 4 2 8 32\ndirect\n0.964000 0.536000 0.964000 Na\n0.963571 0.536429 0.536429 Na\n0.713571 0.286429 0.286429 Na\n0.714000 0.286000 0.714000 Na\n0.536000 0.964000 0.536000 Na\n0.536429 0.963571 0.963571 Na\n0.286429 0.713571 0.713571 Na\n0.286000 0.714000 0.286000 Na\n0.125000 0.625000 0.125000 Co\n0.625000 0.125000 0.125000 Co\n0.125000 0.125000 0.125000 Co\n0.125000 0.125000 0.625000 Co\n0.500000 0.500000 0.500000 P\n0.750000 0.750000 0.750000 P\n0.902851 0.268430 0.915934 C\n0.981570 0.347149 0.337215 C\n0.915934 0.912785 0.902851 C\n0.912785 0.915934 0.268430 C\n0.337215 0.334066 0.981570 C\n0.334066 0.337215 0.347149 C\n0.268430 0.902851 0.912785 C\n0.347149 0.981570 0.334066 C\n0.011608 0.275800 0.944567 O\n0.560293 0.561373 0.307906 O\n0.765489 0.260619 0.032004 O\n0.989381 0.484511 0.308111 O\n0.032004 0.941889 0.765489 O\n0.973934 0.322179 0.223664 O\n0.307906 0.570429 0.560293 O\n0.561373 0.560293 0.570429 O\n0.480223 0.223664 0.322179 O\n0.941889 0.032004 0.260619 O\n0.974200 0.238392 0.481975 O\n0.570429 0.307906 0.561373 O\n0.944567 0.768025 0.011608 O\n0.768025 0.944567 0.275800 O\n0.927821 0.276066 0.769777 O\n0.223664 0.480223 0.973934 O\n0.026336 0.769777 0.276066 O\n0.322179 0.973934 0.480223 O\n0.481975 0.305433 0.974200 O\n0.305433 0.481975 0.238392 O\n0.679571 0.942094 0.688627 O\n0.275800 0.011608 0.768025 O\n0.308111 0.217996 0.989381 O\n0.769777 0.026336 0.927821 O\n0.688627 0.689707 0.679571 O\n0.942094 0.679571 0.689707 O\n0.276066 0.927821 0.026336 O\n0.217996 0.308111 0.484511 O\n0.260619 0.765489 0.941889 O\n0.484511 0.989381 0.217996 O\n0.689707 0.688627 0.942094 O\n0.238392 0.974200 0.305433 O\n",
"nsites": 54,
"nelements": 5,
"elements": [
"Na",
"Co",
"P",
"C",
"O"
],
"chemical_system": "C-Co-Na-O-P",
"density": 2.614273557188086,
"density_atomic": 0.07801942538366283,
"volume": 692.1353205878331,
"volume_molar": 7.718770973236402,
"formula_full": "Na8 Co4 P2 C8 O32",
"formula_reduced": "Na4Co2P(CO4)4",
"formula_anonymous": "AB2C4D4E16",
"energy": -379.86601289,
"energy_per_atom": -7.0345557942592585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -351.33001289,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0900318,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.596000Z",
"spacegroup": 70
},
{
"id": "mp-1209832",
"created_at": "2022-09-04T14:40:40.732576Z",
"structure_string": "Nd3 Cu4 P4 O2\n1.0\n-1.995358 1.995359 13.270785\n1.995358 -1.995359 13.270785\n1.995359 1.995359 -13.270785\nNd Cu P O\n3 4 4 2\ndirect\n0.295212 0.295212 0.000000 Nd\n0.704788 0.704788 0.000000 Nd\n0.000000 0.000000 0.000000 Nd\n0.594056 0.094056 0.500000 Cu\n0.405944 0.905944 0.500000 Cu\n0.094056 0.594056 0.500000 Cu\n0.905944 0.405944 0.500000 Cu\n0.458027 0.458027 0.000000 P\n0.541973 0.541973 0.000000 P\n0.140721 0.140721 0.000000 P\n0.859279 0.859279 0.000000 P\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Nd",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Nd-O-P",
"density": 6.621814691994601,
"density_atomic": 0.06150986418881521,
"volume": 211.34821498051502,
"volume_molar": 9.790528461441555,
"formula_full": "Nd3 Cu4 P4 O2",
"formula_reduced": "Nd3Cu4(P2O)2",
"formula_anonymous": "A2B3C4D4",
"energy": -81.28209174999999,
"energy_per_atom": -6.252468596153846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.90809175,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001077,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.342000Z",
"spacegroup": 139
},
{
"id": "mp-556784",
"created_at": "2022-09-04T14:40:40.736903Z",
"structure_string": "Zn22 S22\n1.0\n1.926643 -3.337044 0.000000\n1.926643 3.337044 0.000000\n0.000000 0.000000 69.249302\nZn S\n22 22\ndirect\n0.000000 0.000000 0.363601 Zn\n0.000000 0.000000 0.636396 Zn\n0.333333 0.666667 0.863619 Zn\n0.666667 0.333333 0.318169 Zn\n0.666667 0.333333 0.954516 Zn\n0.666667 0.333333 0.045479 Zn\n0.333333 0.666667 0.545468 Zn\n0.333333 0.666667 0.272719 Zn\n0.333333 0.666667 0.136396 Zn\n0.000000 0.000000 0.909096 Zn\n0.666667 0.333333 0.727292 Zn\n0.666667 0.333333 0.590904 Zn\n0.666667 0.333333 0.181821 Zn\n0.333333 0.666667 0.681821 Zn\n0.000000 0.000000 0.090904 Zn\n0.333333 0.666667 0.409095 Zn\n0.000000 0.000000 0.772717 Zn\n0.666667 0.333333 0.454520 Zn\n0.333333 0.666667 0.999996 Zn\n0.000000 0.000000 0.227296 Zn\n0.666667 0.333333 0.818206 Zn\n0.000000 0.000000 0.499999 Zn\n0.666667 0.333333 0.761351 S\n0.333333 0.666667 0.897706 S\n0.333333 0.666667 0.306799 S\n0.666667 0.333333 0.079536 S\n0.000000 0.000000 0.534093 S\n0.666667 0.333333 0.852277 S\n0.666667 0.333333 0.488606 S\n0.000000 0.000000 0.943177 S\n0.000000 0.000000 0.261378 S\n0.000000 0.000000 0.125001 S\n0.333333 0.666667 0.170475 S\n0.000000 0.000000 0.670473 S\n0.000000 0.000000 0.397699 S\n0.666667 0.333333 0.352238 S\n0.333333 0.666667 0.579536 S\n0.666667 0.333333 0.215907 S\n0.666667 0.333333 0.988581 S\n0.333333 0.666667 0.443178 S\n0.333333 0.666667 0.715907 S\n0.333333 0.666667 0.034117 S\n0.000000 0.000000 0.806831 S\n0.666667 0.333333 0.625001 S\n",
"nsites": 44,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 3.9990053838595383,
"density_atomic": 0.049413327307635674,
"volume": 890.4480308736634,
"volume_molar": 12.187280412240968,
"formula_full": "Zn22 S22",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy": -165.46678020000002,
"energy_per_atom": -3.760608640909091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.4007802,
"band_gap": 2.0502,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.98e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.531000Z",
"spacegroup": 156
},
{
"id": "mp-1110684",
"created_at": "2022-09-04T14:40:40.738500Z",
"structure_string": "Rb2 Li1 Bi1 Cl6\n1.0\n0.000000 5.314071 5.314071\n5.314071 0.000000 5.314071\n5.314071 5.314071 0.000000\nRb Li Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Bi\n0.744542 0.255458 0.255458 Cl\n0.255458 0.255458 0.744542 Cl\n0.255458 0.744542 0.744542 Cl\n0.255458 0.744542 0.255458 Cl\n0.744542 0.255458 0.744542 Cl\n0.744542 0.744542 0.255458 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Bi",
"Cl"
],
"chemical_system": "Bi-Cl-Li-Rb",
"density": 3.3172680058313273,
"density_atomic": 0.03331869220141666,
"volume": 300.131828090624,
"volume_molar": 18.0743611531786,
"formula_full": "Rb2 Li1 Bi1 Cl6",
"formula_reduced": "Rb2LiBiCl6",
"formula_anonymous": "ABC2D6",
"energy": -38.17399818,
"energy_per_atom": -3.8173998179999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.48999818,
"band_gap": 3.6154,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004495,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.344000Z",
"spacegroup": 225
},
{
"id": "mp-1518347",
"created_at": "2022-09-04T14:40:40.739824Z",
"structure_string": "Ba2 Nd2 Eu2 Sb2 O12\n1.0\n6.030972 -0.008734 -0.016603\n-0.012149 6.082447 -0.019606\n-0.027680 -0.031499 8.568669\nBa Nd Eu Sb O\n2 2 2 2 12\ndirect\n0.506482 0.526913 0.249697 Ba\n0.493518 0.473087 0.750303 Ba\n0.000000 0.500000 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.992258 0.037719 0.252038 Eu\n0.007742 0.962281 0.747962 Eu\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.232940 0.194300 0.953894 O\n0.263237 0.700765 0.533537 O\n0.767060 0.805700 0.046106 O\n0.736763 0.299235 0.466463 O\n0.302107 0.736513 0.960519 O\n0.188931 0.228373 0.542578 O\n0.697893 0.263487 0.039481 O\n0.811069 0.771627 0.457422 O\n0.411088 0.993509 0.229829 O\n0.063529 0.466652 0.269116 O\n0.588912 0.006491 0.770171 O\n0.936471 0.533348 0.730884 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Nd",
"Eu",
"Sb",
"O"
],
"chemical_system": "Ba-Eu-Nd-O-Sb",
"density": 6.881519910471049,
"density_atomic": 0.06362990332396097,
"volume": 314.31762355780046,
"volume_molar": 9.46432486206883,
"formula_full": "Ba2 Nd2 Eu2 Sb2 O12",
"formula_reduced": "BaNdEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -161.24549249,
"energy_per_atom": -8.0622746245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -153.00149249,
"band_gap": 0.1501999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 13.9999949,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.991000Z",
"spacegroup": 2
},
{
"id": "mp-865140",
"created_at": "2022-09-04T14:40:40.740191Z",
"structure_string": "Mn1 Ga1 Ru2\n1.0\n-0.001254 3.006738 3.006292\n3.007054 -0.001070 3.006109\n3.007668 3.007168 -0.001686\nMn Ga Ru\n1 1 2\ndirect\n0.749982 0.750070 0.749958 Mn\n0.250036 0.249939 0.250007 Ga\n0.999973 0.999976 0.999926 Ru\n0.500011 0.500015 0.500110 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Ga",
"Ru"
],
"chemical_system": "Ga-Mn-Ru",
"density": 9.974310854478361,
"density_atomic": 0.073520822395684,
"volume": 54.40635550119769,
"volume_molar": 8.19106827667032,
"formula_full": "Mn1 Ga1 Ru2",
"formula_reduced": "MnGaRu2",
"formula_anonymous": "ABC2",
"energy": -31.80006311,
"energy_per_atom": -7.9500157775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.80006311,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1058077,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.933000Z",
"spacegroup": 225
},
{
"id": "mp-755846",
"created_at": "2022-09-04T14:40:40.588720Z",
"structure_string": "Fe6 O8 F4\n1.0\n4.694795 0.000000 0.000000\n0.214276 5.594284 0.000000\n0.155358 0.603679 7.665031\nFe O F\n6 8 4\ndirect\n0.491612 0.833805 0.667956 Fe\n0.512269 0.496603 0.987176 Fe\n0.533676 0.168737 0.344995 Fe\n0.009489 0.334549 0.669125 Fe\n0.949429 0.657171 0.325048 Fe\n0.003348 0.003468 0.003355 Fe\n0.818355 0.363877 0.442744 O\n0.803626 0.711561 0.095910 O\n0.696568 0.208680 0.105295 O\n0.698806 0.542288 0.758085 O\n0.687510 0.863644 0.444849 O\n0.306655 0.128550 0.570644 O\n0.302621 0.793789 0.891848 O\n0.188429 0.293030 0.895245 O\n0.799699 0.036982 0.768917 F\n0.304234 0.469601 0.235142 F\n0.196448 0.961213 0.239137 F\n0.197226 0.632453 0.554529 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.446416990148781,
"density_atomic": 0.08941233694427242,
"volume": 201.3145010539068,
"volume_molar": 6.735245902087751,
"formula_full": "Fe6 O8 F4",
"formula_reduced": "Fe3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy": -129.94974193000002,
"energy_per_atom": -7.219430107222223,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.06974193000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 28.0016103,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.201000Z",
"spacegroup": 1
}
]
}