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=updated_at&page=12158",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=updated_at&page=12156",
"results": [
{
"id": "mp-1186424",
"created_at": "2022-09-04T14:48:29.373102Z",
"structure_string": "Pd3 F1\n1.0\n0.000000 3.090055 3.090055\n3.090055 0.000000 3.090055\n3.090055 3.090055 0.000000\nPd F\n3 1\ndirect\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pd",
"F"
],
"chemical_system": "F-Pd",
"density": 9.518512128840706,
"density_atomic": 0.06778465143000496,
"volume": 59.01040892908384,
"volume_molar": 8.884224721902594,
"formula_full": "Pd3 F1",
"formula_reduced": "Pd3F",
"formula_anonymous": "AB3",
"energy": -17.78183842,
"energy_per_atom": -4.445459605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.31983842,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.763566,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:57.712000Z",
"spacegroup": 225
},
{
"id": "mp-1194736",
"created_at": "2022-09-04T14:48:31.292441Z",
"structure_string": "Na10 Mn6 S8 O32 F8\n1.0\n-0.010283 -0.013886 9.106094\n6.341506 6.759796 -1.357578\n-7.035408 6.754993 0.256764\nNa Mn S O F\n10 6 8 32 8\ndirect\n0.000000 0.250000 0.750001 Na\n0.999999 0.750000 0.250000 Na\n0.018109 0.851308 0.886809 Na\n0.018110 0.351308 0.386809 Na\n0.981891 0.148693 0.113190 Na\n0.981890 0.648691 0.613188 Na\n0.339361 0.377156 0.116905 Na\n0.339364 0.877152 0.616904 Na\n0.660636 0.622846 0.883093 Na\n0.660637 0.122847 0.383094 Na\n0.000043 0.499961 0.000021 Mn\n0.357011 0.283738 0.555734 Mn\n0.642980 0.716258 0.444274 Mn\n0.999997 0.000034 0.499964 Mn\n0.357022 0.783743 0.055731 Mn\n0.642986 0.216245 0.944291 Mn\n0.298184 0.588954 0.366296 S\n0.298186 0.088954 0.866290 S\n0.701814 0.411045 0.633704 S\n0.701814 0.911046 0.133709 S\n0.280621 0.546533 0.798714 S\n0.280621 0.046546 0.298721 S\n0.719373 0.453461 0.201289 S\n0.719376 0.953456 0.701279 S\n0.217487 0.661984 0.729660 O\n0.217490 0.161977 0.229662 O\n0.782512 0.338019 0.270337 O\n0.782510 0.838024 0.770337 O\n0.315152 0.434558 0.392935 O\n0.315156 0.934551 0.892944 O\n0.684847 0.565443 0.607064 O\n0.684844 0.065450 0.107056 O\n0.337142 0.618326 0.218335 O\n0.337142 0.118318 0.718340 O\n0.662859 0.381674 0.781666 O\n0.662858 0.881683 0.281660 O\n0.599500 0.811706 0.047484 O\n0.599507 0.311701 0.547486 O\n0.400497 0.188295 0.952515 O\n0.400491 0.688300 0.452515 O\n0.349724 0.453776 0.704118 O\n0.349729 0.953762 0.204104 O\n0.650275 0.546225 0.295881 O\n0.650270 0.046238 0.795894 O\n0.154446 0.445505 0.873522 O\n0.154448 0.945497 0.373519 O\n0.845547 0.554502 0.126482 O\n0.845550 0.054504 0.626482 O\n0.388944 0.605552 0.904137 O\n0.388944 0.105543 0.404132 O\n0.611057 0.394450 0.095860 O\n0.611055 0.894458 0.595866 O\n0.141324 0.107808 0.898403 O\n0.141323 0.607814 0.398404 O\n0.858676 0.892192 0.101596 O\n0.858676 0.392187 0.601597 O\n0.918552 0.601265 0.859343 F\n0.918555 0.101257 0.359350 F\n0.081439 0.398744 0.140647 F\n0.081448 0.898737 0.640657 F\n0.121597 0.709756 0.047482 F\n0.121587 0.209755 0.547485 F\n0.878401 0.290244 0.952517 F\n0.878411 0.790245 0.452515 F\n",
"nsites": 64,
"nelements": 5,
"elements": [
"Na",
"Mn",
"S",
"O",
"F"
],
"chemical_system": "F-Mn-Na-O-S",
"density": 2.9864606998208867,
"density_atomic": 0.07777174802165264,
"volume": 822.9209401617356,
"volume_molar": 7.7433527125086075,
"formula_full": "Na10 Mn6 S8 O32 F8",
"formula_reduced": "Na5Mn3S4(O4F)4",
"formula_anonymous": "A3B4C4D5E16",
"energy": -421.80205782,
"energy_per_atom": -6.5906571534375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -386.11405782,
"band_gap": 1.7777,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:57.731000Z",
"spacegroup": 2
},
{
"id": "mp-1183888",
"created_at": "2022-09-04T14:48:31.178405Z",
"structure_string": "Eu2 Cd1 Sn1\n1.0\n0.000000 3.970991 3.970991\n3.970991 0.000000 3.970991\n3.970991 3.970991 0.000000\nEu Cd Sn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Eu",
"Cd",
"Sn"
],
"chemical_system": "Cd-Eu-Sn",
"density": 7.094404553970254,
"density_atomic": 0.031939880532181705,
"volume": 125.23528370651592,
"volume_molar": 18.854612664979335,
"formula_full": "Eu2 Cd1 Sn1",
"formula_reduced": "Eu2CdSn",
"formula_anonymous": "ABC2",
"energy": -27.74271918,
"energy_per_atom": -6.935679795,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.74271918,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0108487,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:57.739000Z",
"spacegroup": 225
},
{
"id": "mp-1225136",
"created_at": "2022-09-04T14:48:29.060224Z",
"structure_string": "Fe2 Te1 Se1\n1.0\n3.755398 0.000000 0.000000\n0.000000 3.755398 0.000000\n0.000000 0.000000 5.937717\nFe Te Se\n2 1 1\ndirect\n0.500000 0.000000 0.012283 Fe\n0.000000 0.500000 0.012283 Fe\n0.500000 0.500000 0.738518 Te\n0.000000 0.000000 0.236916 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Fe",
"Te",
"Se"
],
"chemical_system": "Fe-Se-Te",
"density": 6.310824077785493,
"density_atomic": 0.04776706478699768,
"volume": 83.73970680084179,
"volume_molar": 12.607307538894963,
"formula_full": "Fe2 Te1 Se1",
"formula_reduced": "Fe2TeSe",
"formula_anonymous": "ABC2",
"energy": -24.9669629,
"energy_per_atom": -6.241740725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.0729629,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1061773,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:57.748000Z",
"spacegroup": 99
},
{
"id": "mp-850188",
"created_at": "2022-09-04T14:48:13.839584Z",
"structure_string": "Li2 V2 O2 F8\n1.0\n1.810808 -5.107317 0.000000\n1.810808 5.107317 0.000000\n0.000000 0.000000 10.245645\nLi V O F\n2 2 2 8\ndirect\n0.883511 0.116489 0.561089 Li\n0.116489 0.883511 0.061089 Li\n0.809775 0.190225 0.251809 V\n0.190225 0.809775 0.751809 V\n0.699148 0.300852 0.738821 O\n0.300852 0.699148 0.238821 O\n0.677445 0.322555 0.116363 F\n0.692413 0.307587 0.382767 F\n0.944495 0.055505 0.131607 F\n0.935722 0.064278 0.378778 F\n0.064278 0.935722 0.878778 F\n0.055505 0.944495 0.631607 F\n0.307587 0.692413 0.882767 F\n0.322555 0.677445 0.616363 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.6264870063535044,
"density_atomic": 0.07387432354077325,
"volume": 189.5110415768886,
"volume_molar": 8.151872628215967,
"formula_full": "Li2 V2 O2 F8",
"formula_reduced": "LiVOF4",
"formula_anonymous": "ABCD4",
"energy": -86.70373569,
"energy_per_atom": -6.193123977857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.23373569,
"band_gap": 2.1572,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:57.766000Z",
"spacegroup": 36
},
{
"id": "mp-1224220",
"created_at": "2022-09-04T14:48:29.928493Z",
"structure_string": "K1 Na1 V6 Pb8 O24\n1.0\n5.145750 -8.912701 0.000000\n5.145750 8.912701 0.000000\n0.000000 0.000000 7.490634\nK Na V Pb O\n1 1 6 8 24\ndirect\n0.333333 0.666667 0.487501 K\n0.000000 0.000000 0.011554 Na\n0.274583 0.315654 0.753943 V\n0.041071 0.725417 0.753943 V\n0.684346 0.958929 0.753943 V\n0.057250 0.347367 0.249905 V\n0.290118 0.942750 0.249905 V\n0.652633 0.709882 0.249905 V\n0.665412 0.076619 0.248558 Pb\n0.411208 0.334588 0.248558 Pb\n0.923381 0.588792 0.248558 Pb\n0.669975 0.591244 0.750946 Pb\n0.921269 0.330025 0.750946 Pb\n0.408756 0.078731 0.750946 Pb\n0.333333 0.666667 0.975137 Pb\n0.000000 0.000000 0.475229 Pb\n0.173946 0.745869 0.246272 O\n0.571923 0.826054 0.246272 O\n0.254131 0.428077 0.246272 O\n0.157753 0.922855 0.751475 O\n0.765103 0.842247 0.751475 O\n0.077145 0.234897 0.751475 O\n0.409999 0.994876 0.431415 O\n0.584877 0.590001 0.431415 O\n0.005124 0.415123 0.431415 O\n0.919082 0.672224 0.933709 O\n0.753142 0.080918 0.933709 O\n0.327776 0.246858 0.933709 O\n0.925579 0.672884 0.567683 O\n0.747304 0.074421 0.567683 O\n0.327116 0.252696 0.567683 O\n0.409277 0.995245 0.066701 O\n0.585968 0.590723 0.066701 O\n0.004755 0.414032 0.066701 O\n0.142697 0.631152 0.763207 O\n0.488455 0.857303 0.763207 O\n0.368848 0.511545 0.763207 O\n0.186808 0.035996 0.252967 O\n0.849188 0.813192 0.252967 O\n0.964004 0.150812 0.252967 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Na",
"V",
"Pb",
"O"
],
"chemical_system": "K-Na-O-Pb-V",
"density": 5.822875054695533,
"density_atomic": 0.05821747940447756,
"volume": 687.0788706273595,
"volume_molar": 10.344214180349471,
"formula_full": "K1 Na1 V6 Pb8 O24",
"formula_reduced": "KNaV6(PbO3)8",
"formula_anonymous": "ABC6D8E24",
"energy": -290.22319568,
"energy_per_atom": -7.255579892,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -263.53519568,
"band_gap": 2.943,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:57.804000Z",
"spacegroup": 143
},
{
"id": "mp-1183423",
"created_at": "2022-09-04T14:48:30.221310Z",
"structure_string": "Be3 Co1\n1.0\n-1.544603 1.544603 3.476131\n1.544603 -1.544603 3.476131\n1.544603 1.544603 -3.476131\nBe Co\n3 1\ndirect\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Co\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Be",
"Co"
],
"chemical_system": "Be-Co",
"density": 4.303331888566041,
"density_atomic": 0.1205785667256906,
"volume": 33.173391495851604,
"volume_molar": 4.994370826865134,
"formula_full": "Be3 Co1",
"formula_reduced": "Be3Co",
"formula_anonymous": "AB3",
"energy": -19.34127663,
"energy_per_atom": -4.8353191575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.34127663,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0261251,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:57.806000Z",
"spacegroup": 139
},
{
"id": "mp-972072",
"created_at": "2022-09-04T14:48:31.567472Z",
"structure_string": "Yb1 Y1 Pd2\n1.0\n0.000000 3.490613 3.490613\n3.490613 0.000000 3.490613\n3.490613 3.490613 0.000000\nYb Y Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Y\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Y",
"Pd"
],
"chemical_system": "Pd-Y-Yb",
"density": 9.268549286502733,
"density_atomic": 0.04702457620723618,
"volume": 85.06190427686357,
"volume_molar": 12.80636902172296,
"formula_full": "Yb1 Y1 Pd2",
"formula_reduced": "YbYPd2",
"formula_anonymous": "ABC2",
"energy": -21.8955844,
"energy_per_atom": -5.4738961,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.8955844,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024431,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:57.836000Z",
"spacegroup": 225
},
{
"id": "mp-555343",
"created_at": "2022-09-04T14:48:30.653656Z",
"structure_string": "Ni10 Se8 Br4 O24\n1.0\n0.053322 -0.039030 7.823186\n6.546214 7.215584 -3.124151\n-5.950133 7.126584 1.183555\nNi Se Br O\n10 8 4 24\ndirect\n0.249997 0.250000 0.750002 Ni\n0.417423 0.839632 0.469448 Ni\n0.082579 0.660369 0.030551 Ni\n0.998387 0.349141 0.525746 Ni\n0.501613 0.150860 0.974254 Ni\n0.750001 0.750002 0.249999 Ni\n0.917411 0.339658 0.969373 Ni\n0.582589 0.160341 0.530627 Ni\n0.498404 0.849088 0.025709 Ni\n0.001597 0.650913 0.474291 Ni\n0.262841 0.573948 0.732451 Se\n0.762840 0.073952 0.232452 Se\n0.737160 0.426048 0.267548 Se\n0.237159 0.926052 0.767549 Se\n0.335659 0.565712 0.271938 Se\n0.835660 0.065732 0.771937 Se\n0.664340 0.434268 0.728062 Se\n0.164341 0.934288 0.228062 Se\n0.701385 0.684478 0.981103 Br\n0.201346 0.184470 0.481123 Br\n0.298652 0.315529 0.018877 Br\n0.798615 0.815523 0.518898 Br\n0.709686 0.189618 0.111255 O\n0.209664 0.689616 0.611250 O\n0.290336 0.810384 0.888750 O\n0.790314 0.310381 0.388745 O\n0.870338 0.476134 0.617295 O\n0.370338 0.976119 0.117308 O\n0.129662 0.523881 0.382692 O\n0.629661 0.023866 0.882706 O\n0.982085 0.192805 0.851926 O\n0.482091 0.692799 0.351919 O\n0.017909 0.807201 0.148081 O\n0.517914 0.307194 0.648075 O\n0.697296 0.329118 0.871581 O\n0.197292 0.829128 0.371586 O\n0.302708 0.670872 0.128414 O\n0.802704 0.170882 0.628419 O\n0.080350 0.532621 0.872975 O\n0.580372 0.032613 0.372990 O\n0.919628 0.467387 0.127010 O\n0.419650 0.967378 0.627025 O\n0.208165 0.422439 0.654330 O\n0.708151 0.922427 0.154339 O\n0.791849 0.577573 0.345660 O\n0.291835 0.077561 0.845670 O\n",
"nsites": 46,
"nelements": 4,
"elements": [
"Ni",
"Se",
"Br",
"O"
],
"chemical_system": "Br-Ni-O-Se",
"density": 4.546458583180777,
"density_atomic": 0.06552090325438942,
"volume": 702.0660234399064,
"volume_molar": 9.19117481732299,
"formula_full": "Ni10 Se8 Br4 O24",
"formula_reduced": "Ni5Se4(BrO6)2",
"formula_anonymous": "A2B4C5D12",
"energy": -267.14388766,
"energy_per_atom": -5.807475818695653,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -223.10988766,
"band_gap": 2.8709000000000007,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:57.839000Z",
"spacegroup": 2
},
{
"id": "mp-1227194",
"created_at": "2022-09-04T14:48:14.721065Z",
"structure_string": "Ca1 La3 Fe4 O12\n1.0\n7.864064 0.000000 0.000000\n0.000000 5.559366 0.000000\n0.000000 0.005764 5.568198\nCa La Fe O\n1 3 4 12\ndirect\n0.000000 0.492492 0.468125 Ca\n0.000000 0.007098 0.969518 La\n0.500000 0.506537 0.529978 La\n0.500000 0.994754 0.031150 La\n0.245649 0.000775 0.499738 Fe\n0.753844 0.499550 0.000550 Fe\n0.754351 0.000775 0.499738 Fe\n0.246156 0.499550 0.000550 Fe\n0.787151 0.213303 0.213188 O\n0.208016 0.284039 0.715394 O\n0.291578 0.783729 0.784106 O\n0.706094 0.720118 0.280980 O\n0.708422 0.783729 0.784106 O\n0.293906 0.720118 0.280980 O\n0.212849 0.213303 0.213188 O\n0.791984 0.284039 0.715394 O\n0.000000 0.577187 0.021992 O\n0.000000 0.916800 0.516799 O\n0.500000 0.426766 0.985930 O\n0.500000 0.075339 0.488594 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"La",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-La-O",
"density": 5.949245303645515,
"density_atomic": 0.0821567062735673,
"volume": 243.43721781400944,
"volume_molar": 7.330065959493722,
"formula_full": "Ca1 La3 Fe4 O12",
"formula_reduced": "CaLa3(FeO3)4",
"formula_anonymous": "AB3C4D12",
"energy": -163.75366896999998,
"energy_per_atom": -8.1876834485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.48566897,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.000648,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:57.854000Z",
"spacegroup": 6
},
{
"id": "mp-557737",
"created_at": "2022-09-04T14:48:30.252028Z",
"structure_string": "Al8 Bi4 S16\n1.0\n7.687999 0.000000 0.000000\n0.000000 7.687999 0.000000\n0.000000 0.000000 12.031839\nAl Bi S\n8 4 16\ndirect\n0.000000 0.500000 0.750000 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.250000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.000000 0.250000 Al\n0.500000 0.000000 0.750000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.630684 Bi\n0.000000 0.000000 0.869316 Bi\n0.500000 0.500000 0.369316 Bi\n0.000000 0.000000 0.130684 Bi\n0.845659 0.339131 0.875074 S\n0.654341 0.839131 0.375074 S\n0.339131 0.845659 0.124926 S\n0.839131 0.654341 0.624926 S\n0.345659 0.160869 0.375074 S\n0.154341 0.660869 0.875074 S\n0.839131 0.345659 0.375074 S\n0.660869 0.154341 0.124926 S\n0.654341 0.160869 0.624926 S\n0.160869 0.345659 0.624926 S\n0.660869 0.845659 0.875074 S\n0.339131 0.154341 0.875074 S\n0.160869 0.654341 0.375074 S\n0.154341 0.339131 0.124926 S\n0.845659 0.660869 0.124926 S\n0.345659 0.839131 0.624926 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Al",
"Bi",
"S"
],
"chemical_system": "Al-Bi-S",
"density": 3.6538704646232194,
"density_atomic": 0.03937307944015444,
"volume": 711.1457980460715,
"volume_molar": 15.295071773985628,
"formula_full": "Al8 Bi4 S16",
"formula_reduced": "Al2BiS4",
"formula_anonymous": "AB2C4",
"energy": -144.43885362,
"energy_per_atom": -5.158530486428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.39085362,
"band_gap": 2.6364,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016552,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:57.864000Z",
"spacegroup": 126
},
{
"id": "mp-1365713",
"created_at": "2022-09-04T14:48:30.884756Z",
"structure_string": "Mg8 Mn16 Co8 O56\n1.0\n14.208685 0.000000 0.000000\n0.000000 6.901109 0.000000\n0.000000 3.350431 10.252743\nMg Mn Co O\n8 16 8 56\ndirect\n0.496919 0.975727 0.742862 Mg\n0.878189 0.669315 0.957556 Mg\n0.378189 0.330685 0.542444 Mg\n0.121811 0.330685 0.042444 Mg\n0.621811 0.669315 0.457556 Mg\n0.003081 0.975727 0.242862 Mg\n0.503081 0.024273 0.257138 Mg\n0.996919 0.024273 0.757138 Mg\n0.885368 0.166315 0.974374 Mn\n0.028289 0.562797 0.712909 Mn\n0.471711 0.562797 0.212909 Mn\n0.971711 0.437203 0.287091 Mn\n0.733047 0.514798 0.768698 Mn\n0.233047 0.485202 0.731302 Mn\n0.266953 0.485202 0.231302 Mn\n0.766953 0.514798 0.268698 Mn\n0.528289 0.437203 0.787091 Mn\n0.124849 0.131483 0.460927 Mn\n0.624849 0.868517 0.039073 Mn\n0.875151 0.868517 0.539073 Mn\n0.385368 0.833685 0.525626 Mn\n0.614632 0.166315 0.474374 Mn\n0.114632 0.833685 0.025626 Mn\n0.375151 0.131483 0.960927 Mn\n0.646073 0.366924 0.080331 Co\n0.146073 0.633076 0.419669 Co\n0.353927 0.633076 0.919669 Co\n0.853927 0.366924 0.580331 Co\n0.761152 0.007163 0.257048 Co\n0.261152 0.992837 0.242952 Co\n0.238848 0.992837 0.742952 Co\n0.738848 0.007163 0.757048 Co\n0.997059 0.232659 0.959343 O\n0.497059 0.767341 0.540657 O\n0.002941 0.767341 0.040657 O\n0.502941 0.232659 0.459343 O\n0.865930 0.998462 0.883400 O\n0.365930 0.001538 0.616600 O\n0.134070 0.001538 0.116600 O\n0.634070 0.998462 0.383400 O\n0.870745 0.023533 0.138136 O\n0.370745 0.976467 0.361864 O\n0.129255 0.976467 0.861864 O\n0.629255 0.023533 0.638136 O\n0.305821 0.358110 0.902406 O\n0.805821 0.641890 0.597594 O\n0.694179 0.641890 0.097594 O\n0.194179 0.358110 0.402406 O\n0.372982 0.012034 0.127142 O\n0.872982 0.987966 0.372858 O\n0.627018 0.987966 0.872858 O\n0.127018 0.012034 0.627142 O\n0.358229 0.952251 0.878277 O\n0.464781 0.659069 0.819487 O\n0.858229 0.047749 0.621723 O\n0.141771 0.952251 0.378277 O\n0.472002 0.296135 0.693979 O\n0.972002 0.703865 0.806021 O\n0.527998 0.703865 0.306021 O\n0.027998 0.296135 0.193979 O\n0.485533 0.234182 0.944210 O\n0.985533 0.765818 0.555790 O\n0.514467 0.765818 0.055790 O\n0.014467 0.234182 0.444210 O\n0.874836 0.563942 0.163492 O\n0.374836 0.436058 0.336508 O\n0.125164 0.436058 0.836508 O\n0.625164 0.563942 0.663492 O\n0.743394 0.286082 0.206938 O\n0.243394 0.713918 0.293062 O\n0.256606 0.713918 0.793062 O\n0.756606 0.286082 0.706938 O\n0.680853 0.390434 0.426390 O\n0.180853 0.609566 0.073610 O\n0.319147 0.609566 0.573610 O\n0.819147 0.390434 0.926390 O\n0.737408 0.743145 0.320181 O\n0.237408 0.256855 0.179819 O\n0.262592 0.256855 0.679819 O\n0.762592 0.743145 0.820181 O\n0.863555 0.442204 0.403495 O\n0.363555 0.557796 0.096505 O\n0.136445 0.557796 0.596505 O\n0.636445 0.442204 0.903495 O\n0.035219 0.659069 0.319487 O\n0.535219 0.340931 0.180513 O\n0.964781 0.340931 0.680513 O\n0.641771 0.047749 0.121723 O\n",
"nsites": 88,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Mg-Mn-O",
"density": 4.031649816505785,
"density_atomic": 0.08753259980986207,
"volume": 1005.3397270405908,
"volume_molar": 6.87988334983911,
"formula_full": "Mg8 Mn16 Co8 O56",
"formula_reduced": "MgMn2CoO7",
"formula_anonymous": "ABC2D7",
"energy": -635.1419331,
"energy_per_atom": -7.217521967045454,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -556.8779331,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 64.0009607,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:57.900000Z",
"spacegroup": 14
}
]
}