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=volume_molar&page=1746",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=1744",
"results": [
{
"id": "mp-780660",
"created_at": "2022-09-04T14:42:20.680833Z",
"structure_string": "Li24 V8 O8 F32\n1.0\n7.680664 0.000000 0.000000\n-0.114187 10.220041 0.000000\n-3.529707 -0.137306 10.184080\nLi V O F\n24 8 8 32\ndirect\n0.110028 0.779269 0.866187 Li\n0.186690 0.391861 0.911717 Li\n0.091769 0.063630 0.662008 Li\n0.098007 0.441707 0.649738 Li\n0.407254 0.946430 0.842173 Li\n0.413738 0.572487 0.840347 Li\n0.381264 0.753801 0.618703 Li\n0.838417 0.439934 0.909271 Li\n0.848964 0.060268 0.903660 Li\n0.387761 0.224839 0.628543 Li\n0.346569 0.055964 0.404085 Li\n0.357382 0.443604 0.416189 Li\n0.673104 0.954129 0.601234 Li\n0.665194 0.562723 0.594367 Li\n0.614638 0.750958 0.374535 Li\n0.155556 0.946926 0.096078 Li\n0.155671 0.573446 0.102755 Li\n0.635750 0.267952 0.383669 Li\n0.901043 0.942823 0.342160 Li\n0.893915 0.553809 0.338068 Li\n0.592684 0.052850 0.158421 Li\n0.588588 0.435605 0.155207 Li\n0.866279 0.751529 0.122207 Li\n0.875257 0.230722 0.128646 Li\n0.505758 0.254025 0.903349 V\n0.996798 0.750495 0.596709 V\n0.743299 0.748291 0.845135 V\n0.763772 0.252578 0.658645 V\n0.242942 0.751793 0.346818 V\n0.251388 0.252827 0.152405 V\n0.008739 0.248763 0.404546 V\n0.488926 0.741660 0.093626 V\n0.613892 0.741564 0.967794 O\n0.639817 0.256625 0.783640 O\n0.127037 0.754305 0.476580 O\n0.127329 0.250206 0.277400 O\n0.865618 0.749387 0.718103 O\n0.892342 0.250208 0.534865 O\n0.357839 0.743977 0.215773 O\n0.378800 0.265357 0.027844 O\n0.176836 0.884341 0.716371 F\n0.184569 0.623608 0.711240 F\n0.672302 0.105912 0.007742 F\n0.695138 0.386986 0.018748 F\n0.327964 0.122139 0.780506 F\n0.326487 0.392307 0.794107 F\n0.934447 0.880491 0.959116 F\n0.934110 0.622727 0.959763 F\n0.181776 0.104743 0.506957 F\n0.195313 0.387960 0.512036 F\n0.561366 0.886741 0.737702 F\n0.566044 0.607968 0.734030 F\n0.441061 0.881846 0.457234 F\n0.439086 0.625062 0.459269 F\n0.052779 0.613956 0.241100 F\n0.063570 0.891219 0.240613 F\n0.944908 0.401030 0.765570 F\n0.890094 0.078603 0.735548 F\n0.586616 0.386647 0.542111 F\n0.557412 0.129929 0.538967 F\n0.422566 0.104738 0.250928 F\n0.436325 0.389345 0.268129 F\n0.814014 0.885711 0.485081 F\n0.823452 0.605762 0.488876 F\n0.056127 0.121423 0.045142 F\n0.074648 0.393448 0.045917 F\n0.679273 0.876203 0.205552 F\n0.675295 0.615977 0.210407 F\n0.320459 0.586092 0.992286 F\n0.314864 0.886927 0.988518 F\n0.814912 0.118259 0.288866 F\n0.810502 0.375593 0.296887 F\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.721241659082303,
"density_atomic": 0.09006567109249305,
"volume": 799.4166825899682,
"volume_molar": 6.686388595068098,
"formula_full": "Li24 V8 O8 F32",
"formula_reduced": "Li3VOF4",
"formula_anonymous": "ABC3D4",
"energy": -432.82841017,
"energy_per_atom": -6.011505696805555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -398.94841017,
"band_gap": 1.5642,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0004823,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.775000Z",
"spacegroup": 1
},
{
"id": "mp-26248",
"created_at": "2022-09-04T14:41:56.220758Z",
"structure_string": "Li8 Cu2 P4 O16\n1.0\n5.247292 0.000000 0.000000\n-0.050764 6.382969 0.000000\n-0.052097 -0.076068 9.945138\nLi Cu P O\n8 2 4 16\ndirect\n0.317956 0.762983 0.508754 Li\n0.671487 0.246494 0.748523 Li\n0.325991 0.243287 0.996104 Li\n0.670476 0.242569 0.249649 Li\n0.323187 0.240942 0.502772 Li\n0.843072 0.490241 0.995654 Li\n0.684078 0.753377 0.745974 Li\n0.842185 0.497185 0.508676 Li\n0.321667 0.767368 0.990499 Cu\n0.677437 0.747479 0.260390 Cu\n0.822689 0.001766 0.500029 P\n0.184757 0.493714 0.249221 P\n0.180593 0.497149 0.750835 P\n0.819744 0.004705 0.990129 P\n0.104443 0.000824 0.034113 O\n0.321347 0.704565 0.801207 O\n0.106401 0.002579 0.533763 O\n0.183085 0.496341 0.091353 O\n0.316472 0.698069 0.303605 O\n0.897635 0.496034 0.298241 O\n0.692298 0.200675 0.052990 O\n0.321664 0.302633 0.303334 O\n0.691916 0.793465 0.048907 O\n0.786368 0.000076 0.838691 O\n0.787240 0.002501 0.341682 O\n0.188263 0.502797 0.594401 O\n0.324972 0.309202 0.806642 O\n0.690044 0.204076 0.551866 O\n0.897734 0.500821 0.798857 O\n0.688860 0.797560 0.550530 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Li-O-P",
"density": 2.8041875002577386,
"density_atomic": 0.0900642575633534,
"volume": 333.09551215583235,
"volume_molar": 6.686493535755711,
"formula_full": "Li8 Cu2 P4 O16",
"formula_reduced": "Li4Cu(PO4)2",
"formula_anonymous": "AB2C4D8",
"energy": -198.05268033,
"energy_per_atom": -6.601756011,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -187.06068033,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000561,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.042000Z",
"spacegroup": 1
},
{
"id": "mp-1214196",
"created_at": "2022-09-04T14:45:19.517671Z",
"structure_string": "Ca4 Zn2 As4 H8 O20\n1.0\n-0.023169 0.000000 5.756266\n5.612162 0.000000 -1.828297\n0.000000 13.077679 0.000000\nCa Zn As H O\n4 2 4 8 20\ndirect\n0.231257 0.563196 0.122898 Ca\n0.768743 0.436804 0.877102 Ca\n0.268743 0.436804 0.622898 Ca\n0.731257 0.563196 0.377102 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.063110 0.219708 0.379354 As\n0.936890 0.780292 0.620646 As\n0.436890 0.780292 0.879354 As\n0.563110 0.219708 0.120646 As\n0.300123 0.699132 0.351833 H\n0.699877 0.300868 0.648167 H\n0.199877 0.300868 0.851833 H\n0.800123 0.699132 0.148167 H\n0.000554 0.095611 0.793611 H\n0.999446 0.904389 0.206389 H\n0.499446 0.904389 0.293611 H\n0.500554 0.095611 0.706389 H\n0.532585 0.185329 0.638130 O\n0.467415 0.814671 0.361870 O\n0.967415 0.814671 0.138130 O\n0.032585 0.185329 0.861870 O\n0.493658 0.946280 0.176603 O\n0.506342 0.053720 0.823397 O\n0.006342 0.053720 0.676603 O\n0.993658 0.946280 0.323397 O\n0.078093 0.450258 0.295203 O\n0.921907 0.549742 0.704797 O\n0.421907 0.549742 0.795203 O\n0.578093 0.450258 0.204797 O\n0.333242 0.284884 0.448351 O\n0.666758 0.715116 0.551649 O\n0.166758 0.715116 0.948351 O\n0.833242 0.284884 0.051649 O\n0.334233 0.241779 0.038210 O\n0.665767 0.758221 0.961790 O\n0.165767 0.758221 0.538210 O\n0.834233 0.241779 0.461790 O\n",
"nsites": 38,
"nelements": 5,
"elements": [
"Ca",
"Zn",
"As",
"H",
"O"
],
"chemical_system": "As-Ca-H-O-Zn",
"density": 3.6163486950775168,
"density_atomic": 0.09006409905875888,
"volume": 421.92172460647555,
"volume_molar": 6.6865053033740836,
"formula_full": "Ca4 Zn2 As4 H8 O20",
"formula_reduced": "Ca2ZnAs2(H2O5)2",
"formula_anonymous": "AB2C2D4E10",
"energy": -233.33111977000004,
"energy_per_atom": -6.140292625526317,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -219.59111977,
"band_gap": 3.3532,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041876,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.234000Z",
"spacegroup": 14
},
{
"id": "mp-1215616",
"created_at": "2022-09-04T14:48:18.566376Z",
"structure_string": "Zn1 Fe4 Ni1 O8\n1.0\n0.000000 4.267589 4.267589\n4.267589 0.000000 4.267589\n4.267589 4.267589 0.000000\nZn Fe Ni O\n1 4 1 8\ndirect\n0.500000 0.500000 0.500000 Zn\n0.375380 0.874873 0.874873 Fe\n0.874873 0.375380 0.874873 Fe\n0.874873 0.874873 0.375380 Fe\n0.874873 0.874873 0.874873 Fe\n0.250000 0.250000 0.250000 Ni\n0.653558 0.115481 0.115481 O\n0.115481 0.653558 0.115481 O\n0.115481 0.115481 0.653558 O\n0.115481 0.115481 0.115481 O\n0.093558 0.635481 0.635481 O\n0.635481 0.093558 0.635481 O\n0.635481 0.635481 0.093558 O\n0.635481 0.635481 0.635481 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Zn",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Ni-O-Zn",
"density": 5.079271207787366,
"density_atomic": 0.09006380249019902,
"volume": 155.4453577676061,
"volume_molar": 6.686527321179167,
"formula_full": "Zn1 Fe4 Ni1 O8",
"formula_reduced": "ZnFe4NiO8",
"formula_anonymous": "ABC4D8",
"energy": -103.27893141,
"energy_per_atom": -7.377066529285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.21793141,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:03.033000Z",
"spacegroup": 216
},
{
"id": "mp-758947",
"created_at": "2022-09-04T14:48:18.499189Z",
"structure_string": "Li14 Mn14 P12 O48 F6\n1.0\n6.801944 -11.781312 0.000000\n6.801944 11.781312 0.000000\n0.000000 0.000000 6.512172\nLi Mn P O F\n14 14 12 48 6\ndirect\n0.130829 0.707395 0.997923 Li\n0.126856 0.709957 0.524293 Li\n0.423434 0.130829 0.497923 Li\n0.416898 0.126856 0.024293 Li\n0.709957 0.583102 0.024293 Li\n0.707395 0.576566 0.497923 Li\n0.000000 0.000000 0.998457 Li\n0.000000 0.000000 0.498457 Li\n0.292605 0.423434 0.997923 Li\n0.290043 0.416898 0.524293 Li\n0.583102 0.873144 0.524293 Li\n0.576566 0.869171 0.997923 Li\n0.873144 0.290043 0.024293 Li\n0.869171 0.292605 0.497923 Li\n0.255804 0.189870 0.255599 Mn\n0.189870 0.934066 0.755599 Mn\n0.500413 0.394306 0.755780 Mn\n0.106107 0.500413 0.255780 Mn\n0.065934 0.255804 0.755599 Mn\n0.394306 0.893893 0.255780 Mn\n0.333333 0.666667 0.496051 Mn\n0.666667 0.333333 0.996051 Mn\n0.605694 0.106107 0.755780 Mn\n0.934066 0.744196 0.255599 Mn\n0.893893 0.499587 0.755780 Mn\n0.499587 0.605694 0.255780 Mn\n0.810130 0.065934 0.255599 Mn\n0.744196 0.810130 0.755599 Mn\n0.250624 0.185704 0.754918 P\n0.185704 0.935080 0.254918 P\n0.488484 0.369313 0.261274 P\n0.119171 0.488484 0.761274 P\n0.369313 0.880829 0.761274 P\n0.064920 0.250624 0.254918 P\n0.935080 0.749376 0.754918 P\n0.630687 0.119171 0.261274 P\n0.880829 0.511516 0.261274 P\n0.511516 0.630687 0.761274 P\n0.814296 0.064920 0.754918 P\n0.749376 0.814296 0.254918 P\n0.119009 0.133176 0.755266 O\n0.133176 0.014167 0.255266 O\n0.000731 0.681520 0.750924 O\n0.376511 0.374635 0.244615 O\n0.283749 0.140953 0.564222 O\n0.140953 0.857204 0.064222 O\n0.284481 0.143783 0.948868 O\n0.143783 0.859301 0.448868 O\n0.319211 0.000731 0.250924 O\n0.001876 0.376511 0.744615 O\n0.553956 0.438520 0.452347 O\n0.115436 0.553956 0.952347 O\n0.459156 0.244990 0.267557 O\n0.139732 0.564962 0.565424 O\n0.564962 0.425230 0.065424 O\n0.681520 0.680789 0.250924 O\n0.244990 0.785834 0.767557 O\n0.374635 0.998124 0.744615 O\n0.985833 0.119009 0.255266 O\n0.214166 0.459156 0.767557 O\n0.140699 0.284481 0.448868 O\n0.438520 0.884564 0.952347 O\n0.142796 0.283749 0.064222 O\n0.574770 0.139732 0.065424 O\n0.425230 0.860268 0.565424 O\n0.857204 0.716251 0.564222 O\n0.561480 0.115436 0.452347 O\n0.859301 0.715519 0.948868 O\n0.785834 0.540844 0.267557 O\n0.014167 0.880991 0.755266 O\n0.625365 0.001876 0.244615 O\n0.755010 0.214166 0.267557 O\n0.318480 0.319211 0.750924 O\n0.435038 0.574770 0.565424 O\n0.860268 0.435038 0.065424 O\n0.540844 0.755010 0.767557 O\n0.884564 0.446044 0.452347 O\n0.446044 0.561480 0.952347 O\n0.998124 0.623489 0.244615 O\n0.680789 0.999269 0.750924 O\n0.856217 0.140699 0.948868 O\n0.715519 0.856217 0.448868 O\n0.859047 0.142796 0.564222 O\n0.716251 0.859047 0.064222 O\n0.623489 0.625365 0.744615 O\n0.999269 0.318480 0.250924 O\n0.866824 0.985833 0.755266 O\n0.880991 0.866824 0.255266 O\n0.250009 0.726946 0.282791 F\n0.523063 0.250009 0.782791 F\n0.726946 0.476937 0.782791 F\n0.273054 0.523063 0.282791 F\n0.476937 0.749991 0.282791 F\n0.749991 0.273054 0.782791 F\n",
"nsites": 94,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O-P",
"density": 3.3728175019351445,
"density_atomic": 0.09006276702600674,
"volume": 1043.7165446277743,
"volume_molar": 6.686604197116254,
"formula_full": "Li14 Mn14 P12 O48 F6",
"formula_reduced": "Li7Mn7P6(O8F)3",
"formula_anonymous": "A3B6C7D7E24",
"energy": -714.54847397,
"energy_per_atom": -7.60157951031915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -655.44847397,
"band_gap": 1.6920999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 70.1658989,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:47.523000Z",
"spacegroup": 173
},
{
"id": "mp-1196616",
"created_at": "2022-09-04T14:46:03.618736Z",
"structure_string": "Ni4 Bi2 B2 P4 O20\n1.0\n-4.886626 0.000002 1.497054\n0.000675 -0.000002 -6.401326\n0.000004 -11.359127 -0.000004\nNi Bi B P O\n4 2 2 4 20\ndirect\n0.349250 0.335162 0.394541 Ni\n0.650759 0.664840 0.894540 Ni\n0.650100 0.664914 0.605591 Ni\n0.349904 0.335086 0.105594 Ni\n0.250392 0.941303 0.749971 Bi\n0.749609 0.058696 0.249971 Bi\n0.060048 0.486887 0.749987 B\n0.939952 0.513113 0.249987 B\n0.792404 0.214152 0.564538 P\n0.207595 0.785847 0.064539 P\n0.207572 0.785839 0.435447 P\n0.792427 0.214162 0.935448 P\n0.874246 0.625739 0.750005 O\n0.125753 0.374260 0.250006 O\n0.347396 0.632935 0.749978 O\n0.652603 0.367065 0.249978 O\n0.031445 0.344673 0.645065 O\n0.968553 0.655327 0.145065 O\n0.968556 0.655309 0.354907 O\n0.031442 0.344691 0.854907 O\n0.644860 0.992302 0.625202 O\n0.355138 0.007698 0.125203 O\n0.355145 0.007650 0.374761 O\n0.644853 0.992350 0.874761 O\n0.930459 0.181060 0.448744 O\n0.069540 0.818940 0.948745 O\n0.069553 0.818951 0.551242 O\n0.930446 0.181049 0.051242 O\n0.583589 0.345545 0.548835 O\n0.416412 0.654455 0.048836 O\n0.416354 0.654387 0.451181 O\n0.583645 0.345614 0.951182 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Ni",
"Bi",
"B",
"P",
"O"
],
"chemical_system": "B-Bi-Ni-O-P",
"density": 5.22605450004595,
"density_atomic": 0.09006167224273189,
"volume": 355.3120789691138,
"volume_molar": 6.686685479000747,
"formula_full": "Ni4 Bi2 B2 P4 O20",
"formula_reduced": "Ni2BiB(PO5)2",
"formula_anonymous": "ABC2D2E10",
"energy": -237.78295582,
"energy_per_atom": -7.430717369375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -213.87895582,
"band_gap": 3.5479,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:16.078000Z",
"spacegroup": 11
},
{
"id": "mp-24345",
"created_at": "2022-09-04T14:40:07.583204Z",
"structure_string": "Zn1 H12 S2 O12\n1.0\n6.540892 0.000000 0.000000\n-0.546678 6.726638 0.000000\n-0.786131 -1.505688 6.813795\nZn H S O\n1 12 2 12\ndirect\n0.000000 0.000000 0.000000 Zn\n0.202110 0.066844 0.389568 H\n0.797890 0.933156 0.610432 H\n0.182680 0.831340 0.293294 H\n0.701076 0.847319 0.180510 H\n0.391090 0.182673 0.042598 H\n0.608910 0.817327 0.957402 H\n0.815850 0.323689 0.171074 H\n0.184150 0.676311 0.828926 H\n0.056963 0.402288 0.189710 H\n0.943037 0.597712 0.810290 H\n0.817320 0.168660 0.706706 H\n0.298924 0.152681 0.819490 H\n0.493430 0.546439 0.358356 S\n0.506570 0.453561 0.641644 S\n0.641517 0.729637 0.394027 O\n0.723555 0.417123 0.688020 O\n0.276445 0.582877 0.311980 O\n0.445138 0.629865 0.775978 O\n0.123353 0.959494 0.285633 O\n0.876647 0.040506 0.714367 O\n0.293946 0.093363 0.935952 O\n0.706054 0.906637 0.064048 O\n0.945583 0.299527 0.115311 O\n0.054417 0.700473 0.884689 O\n0.358483 0.270363 0.605973 O\n0.554862 0.370135 0.224022 O\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Zn",
"H",
"S",
"O"
],
"chemical_system": "H-O-S-Zn",
"density": 1.8479333100656532,
"density_atomic": 0.09006160166259716,
"volume": 299.79480157538853,
"volume_molar": 6.686690719271331,
"formula_full": "Zn1 H12 S2 O12",
"formula_reduced": "ZnH12(SO6)2",
"formula_anonymous": "AB2C12D12",
"energy": -148.34086284,
"energy_per_atom": -5.494106031111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.09686284,
"band_gap": 5.0235,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.058000Z",
"spacegroup": 2
},
{
"id": "mp-1234113",
"created_at": "2022-09-04T14:43:54.802110Z",
"structure_string": "Mg1 V8 Zn4 O16\n1.0\n3.039838 0.000565 0.070404\n-0.001667 -10.693075 0.000035\n-0.229580 0.000416 -9.911566\nMg V Zn O\n1 8 4 16\ndirect\n0.748690 0.749964 0.964015 Mg\n0.754940 0.564398 0.390793 V\n0.777127 0.080681 0.124231 V\n0.247598 0.084071 0.612989 V\n0.776758 0.419138 0.124160 V\n0.247502 0.415961 0.613117 V\n0.755552 0.935664 0.390981 V\n0.240170 0.970201 0.875131 V\n0.239927 0.529846 0.875147 V\n0.253765 0.750230 0.198203 Zn\n0.418508 0.249969 0.358405 Zn\n0.251769 0.749981 0.629599 Zn\n0.853218 0.249863 0.860289 Zn\n0.265816 0.905784 0.527617 O\n0.739209 0.115373 0.480184 O\n0.312111 0.000600 0.246499 O\n0.755850 0.929996 0.996900 O\n0.755744 0.569907 0.996977 O\n0.888213 0.249976 0.221163 O\n0.234735 0.127663 0.988106 O\n0.303629 0.250067 0.711664 O\n0.312024 0.499182 0.246590 O\n0.740017 0.021696 0.744774 O\n0.265175 0.594213 0.527413 O\n0.230548 0.749925 0.825007 O\n0.772698 0.749866 0.338315 O\n0.739872 0.478583 0.744671 O\n0.234019 0.372287 0.988005 O\n0.738986 0.384908 0.480303 O\n",
"nsites": 29,
"nelements": 4,
"elements": [
"Mg",
"V",
"Zn",
"O"
],
"chemical_system": "Mg-O-V-Zn",
"density": 4.89626655956594,
"density_atomic": 0.09006078448952595,
"volume": 322.00474562124975,
"volume_molar": 6.6867513914453784,
"formula_full": "Mg1 V8 Zn4 O16",
"formula_reduced": "MgV8Zn4O16",
"formula_anonymous": "AB4C8D16",
"energy": -220.03592821,
"energy_per_atom": -7.5874458003448275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -195.44392821,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.5552013,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.242000Z",
"spacegroup": 6
},
{
"id": "mp-1225100",
"created_at": "2022-09-04T14:46:25.375174Z",
"structure_string": "Fe7 Si1 O10\n1.0\n1.523943 10.882281 0.000000\n-1.523943 10.882281 0.000000\n0.000000 0.845341 6.025879\nFe Si O\n7 1 10\ndirect\n0.090194 0.090194 0.700066 Fe\n0.909421 0.909421 0.294613 Fe\n0.301874 0.301874 0.095252 Fe\n0.694767 0.694767 0.914175 Fe\n0.301996 0.301996 0.603474 Fe\n0.696489 0.696489 0.396091 Fe\n0.444950 0.444950 0.776671 Fe\n0.558468 0.558468 0.219303 Si\n0.018352 0.018352 0.237027 O\n0.996644 0.996644 0.756659 O\n0.209222 0.209222 0.155602 O\n0.794093 0.794093 0.865895 O\n0.193078 0.193078 0.649169 O\n0.802077 0.802077 0.334183 O\n0.396018 0.396018 0.061782 O\n0.598314 0.598314 0.970194 O\n0.398029 0.398029 0.536533 O\n0.596014 0.596014 0.433309 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-O-Si",
"density": 4.810436364956547,
"density_atomic": 0.09006031119508717,
"volume": 199.8660648752223,
"volume_molar": 6.686786532366003,
"formula_full": "Fe7 Si1 O10",
"formula_reduced": "Fe7SiO10",
"formula_anonymous": "AB7C10",
"energy": -146.32201542,
"energy_per_atom": -8.129000856666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.66001542,
"band_gap": 0.0004999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 29.9998845,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.631000Z",
"spacegroup": 8
},
{
"id": "mp-1033197",
"created_at": "2022-09-04T14:44:58.157178Z",
"structure_string": "Hf1 Mg6 Ga1 O8\n1.0\n9.103425 0.000000 -0.000000\n-0.000000 4.417653 -0.000000\n-0.000000 -0.000000 4.417653\nHf Mg Ga O\n1 6 1 8\ndirect\n0.500000 0.000000 0.000000 Hf\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.236059 0.000000 0.500000 Mg\n0.763941 -0.000000 0.500000 Mg\n0.236059 0.500000 0.000000 Mg\n0.763941 0.500000 -0.000000 Mg\n-0.000000 0.000000 0.000000 Ga\n0.274444 -0.000000 0.000000 O\n0.725556 0.000000 -0.000000 O\n0.244368 0.500000 0.500000 O\n0.755632 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Hf",
"Mg",
"Ga",
"O"
],
"chemical_system": "Ga-Hf-Mg-O",
"density": 4.879365633784361,
"density_atomic": 0.09006000457839475,
"volume": 177.65932918726915,
"volume_molar": 6.6868092980806955,
"formula_full": "Hf1 Mg6 Ga1 O8",
"formula_reduced": "HfMg6GaO8",
"formula_anonymous": "ABC6D8",
"energy": -104.16852932,
"energy_per_atom": -6.5105330825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.67252932,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001834,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.591000Z",
"spacegroup": 123
},
{
"id": "mp-1226575",
"created_at": "2022-09-04T14:42:10.999980Z",
"structure_string": "Co12 Ge4 C1\n1.0\n3.654072 0.000000 0.000000\n0.000000 3.654072 0.000000\n0.000000 0.000000 14.137213\nCo Ge C\n12 4 1\ndirect\n0.500000 0.500000 0.868692 Co\n0.500000 0.500000 0.131308 Co\n0.500000 0.500000 0.377536 Co\n0.500000 0.500000 0.622464 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.000000 0.255482 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.000000 0.744518 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.500000 0.255482 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.744518 Co\n0.000000 0.000000 0.863153 Ge\n0.000000 0.000000 0.136847 Ge\n0.000000 0.000000 0.378865 Ge\n0.000000 0.000000 0.621135 Ge\n0.500000 0.500000 0.000000 C\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Co",
"Ge",
"C"
],
"chemical_system": "C-Co-Ge",
"density": 8.88286672216377,
"density_atomic": 0.09005978774299701,
"volume": 188.7634917429828,
"volume_molar": 6.6868253977961185,
"formula_full": "Co12 Ge4 C1",
"formula_reduced": "Co12Ge4C",
"formula_anonymous": "AB4C12",
"energy": -113.6004089,
"energy_per_atom": -6.682376994117647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.6004089,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.1169095,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.189000Z",
"spacegroup": 123
},
{
"id": "mp-767036",
"created_at": "2022-09-04T14:43:53.262967Z",
"structure_string": "Li8 Co4 C8 O24\n1.0\n-4.329748 -0.158918 -4.834345\n0.083071 -7.926858 0.186095\n-8.647557 0.015519 4.570510\nLi Co C O\n8 4 8 24\ndirect\n0.585667 0.080461 0.178619 Li\n0.085876 0.080507 0.678725 Li\n0.836569 0.417636 0.428853 Li\n0.336630 0.417559 0.928866 Li\n0.044182 0.911121 0.388939 Li\n0.543837 0.911484 0.888633 Li\n0.794703 0.587271 0.139030 Li\n0.294966 0.587387 0.639074 Li\n0.763610 0.495140 0.752593 Co\n0.013500 0.003168 0.002714 Co\n0.263450 0.495115 0.252601 Co\n0.513559 0.003189 0.502654 Co\n0.507836 0.742147 0.362395 C\n0.007909 0.742147 0.862438 C\n0.257619 0.756341 0.112600 C\n0.757576 0.756382 0.612649 C\n0.238787 0.229607 0.392917 C\n0.738907 0.229625 0.892871 C\n0.989001 0.268638 0.142714 C\n0.489194 0.268593 0.642717 C\n0.399568 0.750547 0.492928 O\n0.899702 0.750414 0.992982 O\n0.149376 0.747728 0.243125 O\n0.649336 0.747725 0.743133 O\n0.591075 0.881891 0.305161 O\n0.090982 0.881932 0.805253 O\n0.340233 0.616691 0.055067 O\n0.840266 0.616720 0.555059 O\n0.214145 0.087783 0.463350 O\n0.714146 0.087753 0.963251 O\n0.964321 0.410317 0.213293 O\n0.464509 0.410278 0.713252 O\n0.537552 0.600676 0.294342 O\n0.037686 0.600713 0.794293 O\n0.287706 0.898105 0.044872 O\n0.787707 0.898144 0.544913 O\n0.142691 0.366226 0.446852 O\n0.642831 0.366234 0.946842 O\n0.892650 0.132010 0.196551 O\n0.392905 0.131979 0.696564 O\n0.357282 0.238385 0.265848 O\n0.857460 0.238444 0.765835 O\n0.107756 0.259909 0.015768 O\n0.607862 0.259873 0.515717 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Li",
"Co",
"C",
"O"
],
"chemical_system": "C-Co-Li-O",
"density": 2.621568917196423,
"density_atomic": 0.0900582534671455,
"volume": 488.57265498771653,
"volume_molar": 6.686939317779421,
"formula_full": "Li8 Co4 C8 O24",
"formula_reduced": "Li2Co(CO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -321.55668033,
"energy_per_atom": -7.308106371136364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -298.51668033,
"band_gap": 2.2155,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9999159,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.343000Z",
"spacegroup": 7
}
]
}