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=-is_magnetic&page=52",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=50",
"results": [
{
"id": "mp-779340",
"created_at": "2022-09-04T14:43:14.507401Z",
"structure_string": "Li2 V8 O10 F14\n1.0\n-5.238781 0.012843 0.005065\n2.627933 -4.706473 0.030248\n-2.596039 0.582532 17.036590\nLi V O F\n2 8 10 14\ndirect\n0.630061 0.213952 0.925731 Li\n0.627017 0.540627 0.321891 Li\n0.780269 0.290157 0.745805 V\n0.845218 0.129542 0.370020 V\n0.522200 0.529048 0.497077 V\n0.624840 0.344006 0.128313 V\n0.327856 0.640351 0.871534 V\n0.257161 0.745282 0.252201 V\n0.978174 0.954519 0.004310 V\n0.136430 0.910609 0.619965 V\n0.963838 0.455653 0.315404 O\n0.514871 0.050135 0.183166 O\n0.763708 0.807845 0.439201 O\n0.735060 0.683690 0.063725 O\n0.233518 0.186336 0.561607 O\n0.480491 0.925037 0.812924 O\n0.223324 0.792659 0.957081 O\n0.983279 0.410613 0.840774 O\n0.508800 0.918170 0.336679 O\n0.012121 0.567882 0.688914 O\n0.974298 0.052906 0.712050 F\n0.510187 0.075832 0.663758 F\n0.723963 0.300606 0.464530 F\n0.761354 0.844017 0.913991 F\n0.781156 0.205234 0.029313 F\n0.525144 0.445911 0.794044 F\n0.733236 0.675456 0.589738 F\n0.302708 0.312453 0.938696 F\n0.280054 0.335935 0.406154 F\n0.487589 0.527874 0.220718 F\n0.239754 0.172358 0.085416 F\n0.267422 0.696693 0.538702 F\n0.019455 0.564506 0.161220 F\n0.024323 0.958678 0.286817 F\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.354116339599259,
"density_atomic": 0.08104511434859546,
"volume": 419.5194278307441,
"volume_molar": 7.430603076327654,
"formula_full": "Li2 V8 O10 F14",
"formula_reduced": "LiV4O5F7",
"formula_anonymous": "AB4C5D7",
"energy": -247.39775117,
"energy_per_atom": -7.27640444617647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -220.45975117,
"band_gap": 0.2295,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9985188,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.038000Z",
"spacegroup": 1
},
{
"id": "mp-1191871",
"created_at": "2022-09-04T14:43:14.514135Z",
"structure_string": "Cs2 V4 Cr2 O14\n1.0\n0.000000 4.993969 0.000000\n0.032838 0.000000 7.002563\n8.876049 0.000000 -1.541009\nCs V Cr O\n2 4 2 14\ndirect\n0.614238 0.750000 0.500000 Cs\n0.385762 0.250000 0.500000 Cs\n0.994544 0.872480 0.156120 V\n0.994544 0.627520 0.843880 V\n0.005456 0.127520 0.843880 V\n0.005456 0.372480 0.156120 V\n0.500000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cr\n0.116954 0.872369 0.325487 O\n0.116954 0.627631 0.674513 O\n0.883046 0.127631 0.674513 O\n0.883046 0.372369 0.325487 O\n0.842814 0.608888 0.100751 O\n0.842814 0.891112 0.899249 O\n0.157186 0.391112 0.899249 O\n0.157186 0.108888 0.100751 O\n0.322901 0.030684 0.808762 O\n0.322901 0.469316 0.191238 O\n0.677099 0.969316 0.191238 O\n0.677099 0.530684 0.808762 O\n0.286014 0.750000 0.000000 O\n0.713986 0.250000 0.000000 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Cs",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-Cs-O-V",
"density": 4.2632112163710225,
"density_atomic": 0.07081849372282556,
"volume": 310.65331728326726,
"volume_molar": 8.503627292003529,
"formula_full": "Cs2 V4 Cr2 O14",
"formula_reduced": "CsV2CrO7",
"formula_anonymous": "ABC2D7",
"energy": -178.80205261999998,
"energy_per_atom": -8.127366028181818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -158.38605262,
"band_gap": 2.1697,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0017595,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:14.400000Z",
"spacegroup": 13
},
{
"id": "mp-1220102",
"created_at": "2022-09-04T14:43:13.678726Z",
"structure_string": "Pr2 Ga6 Co20\n1.0\n0.000000 5.676765 5.798870\n5.612365 0.000000 5.798870\n5.612365 5.676765 0.000000\nPr Ga Co\n2 6 20\ndirect\n0.751692 0.751692 0.748308 Pr\n0.251692 0.251692 0.248308 Pr\n0.551279 0.195940 0.448721 Ga\n0.195940 0.551279 0.804060 Ga\n0.943844 0.299530 0.700470 Ga\n0.299530 0.943844 0.056156 Ga\n0.446068 0.802043 0.553932 Ga\n0.802043 0.446068 0.197957 Ga\n0.998432 0.998432 0.001568 Co\n0.498941 0.498941 0.501059 Co\n0.448115 0.203797 0.796203 Co\n0.203797 0.448115 0.551885 Co\n0.935989 0.715065 0.064011 Co\n0.715065 0.935989 0.284935 Co\n0.560580 0.798278 0.201722 Co\n0.798278 0.560580 0.439420 Co\n0.061026 0.289138 0.938974 Co\n0.289138 0.061026 0.710862 Co\n0.059239 0.934728 0.702456 Co\n0.934728 0.059239 0.303577 Co\n0.562348 0.436611 0.800641 Co\n0.436611 0.562348 0.200399 Co\n0.799601 0.199359 0.563389 Co\n0.199359 0.799601 0.437652 Co\n0.696423 0.297544 0.065272 Co\n0.297544 0.696423 0.940761 Co\n0.057389 0.705308 0.294692 Co\n0.705308 0.057389 0.942611 Co\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Pr",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Pr",
"density": 8.44332356450779,
"density_atomic": 0.0757770752869065,
"volume": 369.50489173653966,
"volume_molar": 7.947180248378581,
"formula_full": "Pr2 Ga6 Co20",
"formula_reduced": "PrGa3Co10",
"formula_anonymous": "AB3C10",
"energy": -174.78204031,
"energy_per_atom": -6.242215725357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.78204031,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.414742,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.783000Z",
"spacegroup": 42
},
{
"id": "mp-1178867",
"created_at": "2022-09-04T14:43:14.166036Z",
"structure_string": "V6 O18\n1.0\n5.284041 0.000000 -1.025063\n0.000000 8.808439 0.000000\n-0.719393 0.000000 7.639332\nV O\n6 18\ndirect\n0.462093 0.462200 0.181717 V\n0.537907 0.962200 0.818283 V\n0.537907 0.537800 0.818283 V\n0.462093 0.037800 0.181717 V\n0.949985 0.250000 0.065978 V\n0.050015 0.750000 0.934022 V\n0.669505 0.402602 0.021847 O\n0.330495 0.902602 0.978153 O\n0.330495 0.597398 0.978153 O\n0.669505 0.097398 0.021847 O\n0.160587 0.397554 0.207344 O\n0.839413 0.897554 0.792656 O\n0.839413 0.602446 0.792656 O\n0.160587 0.102446 0.207344 O\n0.614739 0.250000 0.299839 O\n0.385261 0.750000 0.700161 O\n0.037671 0.250000 0.882443 O\n0.962329 0.750000 0.117557 O\n0.604466 0.570113 0.347594 O\n0.395534 0.070113 0.652406 O\n0.395534 0.429887 0.652406 O\n0.604466 0.929887 0.347594 O\n0.803506 0.250000 0.453071 O\n0.196494 0.750000 0.546929 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 2.823953579758337,
"density_atomic": 0.06875398232615457,
"volume": 349.0706892605726,
"volume_molar": 8.75897010798912,
"formula_full": "V6 O18",
"formula_reduced": "VO3",
"formula_anonymous": "AB3",
"energy": -180.40574328,
"energy_per_atom": -7.51690597,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.30774328,
"band_gap": 0.4745999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.002168,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:14.128000Z",
"spacegroup": 11
},
{
"id": "mp-21046",
"created_at": "2022-09-04T14:43:15.104953Z",
"structure_string": "U1 Ge2 Ir2\n1.0\n-2.062029 2.062029 5.240719\n2.062029 -2.062029 5.240719\n2.062029 2.062029 -5.240719\nU Ge Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.618150 0.618150 0.000000 Ge\n0.381850 0.381850 0.000000 Ge\n0.250000 0.750000 0.500000 Ir\n0.750000 0.250000 0.500000 Ir\n",
"nsites": 5,
"nelements": 3,
"elements": [
"U",
"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-U",
"density": 14.302913392640676,
"density_atomic": 0.05609570380684951,
"volume": 89.13338563709188,
"volume_molar": 10.735475894438592,
"formula_full": "U1 Ge2 Ir2",
"formula_reduced": "U(GeIr)2",
"formula_anonymous": "AB2C2",
"energy": -40.10989416999999,
"energy_per_atom": -8.021978833999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.10989416999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1821717,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.330000Z",
"spacegroup": 139
},
{
"id": "mp-1213941",
"created_at": "2022-09-04T14:43:13.690561Z",
"structure_string": "Cd4 Mo4 O8\n1.0\n-3.255987 3.255987 5.439537\n3.255987 -3.255987 5.439537\n3.255987 3.255987 -5.439537\nCd Mo O\n4 4 8\ndirect\n0.875000 0.625000 0.250000 Cd\n0.375000 0.625000 0.750000 Cd\n0.375000 0.625000 0.250000 Cd\n0.375000 0.125000 0.750000 Cd\n0.375000 0.125000 0.250000 Mo\n0.875000 0.125000 0.750000 Mo\n0.875000 0.125000 0.250000 Mo\n0.875000 0.625000 0.750000 Mo\n0.161384 0.384980 0.223596 O\n0.161384 0.937788 0.776404 O\n0.134980 0.411384 0.723596 O\n0.588616 0.865020 0.276404 O\n0.687788 0.411384 0.276404 O\n0.588616 0.312212 0.723596 O\n0.615020 0.838616 0.776404 O\n0.062212 0.838616 0.223596 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cd",
"Mo",
"O"
],
"chemical_system": "Cd-Mo-O",
"density": 6.920948265508019,
"density_atomic": 0.06936377673203056,
"volume": 230.66794736122804,
"volume_molar": 8.681967798934911,
"formula_full": "Cd4 Mo4 O8",
"formula_reduced": "CdMoO2",
"formula_anonymous": "ABC2",
"energy": -103.84612039,
"energy_per_atom": -6.490382524375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.54212039,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.6619862,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.920000Z",
"spacegroup": 141
},
{
"id": "mp-1079829",
"created_at": "2022-09-04T14:45:12.134570Z",
"structure_string": "Ti2 Cd1 O6\n1.0\n2.608154 -4.517455 0.000000\n2.608154 4.517455 0.000000\n0.000000 0.000000 4.659511\nTi Cd O\n2 1 6\ndirect\n0.666667 0.333333 0.500000 Ti\n0.333333 0.666667 0.500000 Ti\n0.000000 0.000000 0.000000 Cd\n0.635395 0.635395 0.724778 O\n0.000000 0.364605 0.724778 O\n0.364605 0.000000 0.724778 O\n0.364605 0.364605 0.275222 O\n0.000000 0.635395 0.275222 O\n0.635395 0.000000 0.275222 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Cd",
"O"
],
"chemical_system": "Cd-O-Ti",
"density": 4.599675935780693,
"density_atomic": 0.08196814491781025,
"volume": 109.79875180808754,
"volume_molar": 7.346928207340085,
"formula_full": "Ti2 Cd1 O6",
"formula_reduced": "Ti2CdO6",
"formula_anonymous": "AB2C6",
"energy": -68.74458282,
"energy_per_atom": -7.63828698,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.62258282,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9948176,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:51.742000Z",
"spacegroup": 162
},
{
"id": "mp-1290535",
"created_at": "2022-09-04T14:43:17.044530Z",
"structure_string": "Li4 Fe4 C6 O18\n1.0\n-0.003341 -0.000020 7.093980\n-5.046575 -4.904780 3.549308\n5.046590 -4.904769 -3.549285\nLi Fe C O\n4 4 6 18\ndirect\n0.668677 0.048581 0.549318 Li\n0.168263 0.548782 0.048812 Li\n0.668720 0.450673 0.951435 Li\n0.168286 0.951184 0.451217 Li\n0.845696 0.748747 0.251269 Fe\n0.343026 0.251314 0.748695 Fe\n0.430104 0.500098 0.499901 Fe\n0.926285 0.999471 0.000519 Fe\n0.483543 0.756146 0.243853 C\n0.995914 0.243863 0.756132 C\n0.677002 0.204532 0.204359 C\n0.175516 0.700357 0.700298 C\n0.676988 0.795638 0.795454 C\n0.175506 0.299713 0.299648 C\n0.299208 0.757709 0.242281 O\n0.814369 0.242599 0.757397 O\n0.588837 0.316739 0.316171 O\n0.083322 0.809954 0.809695 O\n0.588815 0.683843 0.683221 O\n0.083303 0.190327 0.190038 O\n0.583477 0.866761 0.356195 O\n0.094222 0.356060 0.866838 O\n0.583505 0.643796 0.133258 O\n0.094228 0.133160 0.643942 O\n0.838568 0.032470 0.252280 O\n0.340199 0.528982 0.748765 O\n0.838544 0.747693 0.967514 O\n0.340178 0.251238 0.471021 O\n0.120269 0.748829 0.528932 O\n0.619067 0.252049 0.032394 O\n0.120276 0.471081 0.251185 O\n0.619075 0.967608 0.747964 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Fe",
"C",
"O"
],
"chemical_system": "C-Fe-Li-O",
"density": 2.890933444311728,
"density_atomic": 0.09115016856002718,
"volume": 351.06901616892037,
"volume_molar": 6.606834474512358,
"formula_full": "Li4 Fe4 C6 O18",
"formula_reduced": "Li2Fe2(CO3)3",
"formula_anonymous": "A2B2C3D9",
"energy": -245.00328141,
"energy_per_atom": -7.6563525440625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -223.61328141,
"band_gap": 3.5757,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.000388,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.354000Z",
"spacegroup": 44
},
{
"id": "mp-510113",
"created_at": "2022-09-04T14:43:14.516473Z",
"structure_string": "Mn10 Ni4 Bi8\n1.0\n0.000000 6.015477 6.015477\n6.015477 0.000000 6.015477\n6.015477 6.015477 0.000000\nMn Ni Bi\n10 4 8\ndirect\n0.916625 0.250124 0.916625 Mn\n0.916625 0.916625 0.250124 Mn\n0.250124 0.916625 0.916625 Mn\n0.916625 0.916625 0.916625 Mn\n0.505563 0.505563 0.994437 Mn\n0.994437 0.505563 0.505563 Mn\n0.505563 0.994437 0.994437 Mn\n0.994437 0.994437 0.505563 Mn\n0.994437 0.505563 0.994437 Mn\n0.505563 0.994437 0.505563 Mn\n0.122332 0.633004 0.122332 Ni\n0.122332 0.122332 0.633004 Ni\n0.633004 0.122332 0.122332 Ni\n0.122332 0.122332 0.122332 Ni\n0.750000 0.750000 0.750000 Bi\n0.250000 0.250000 0.250000 Bi\n0.289270 0.289270 0.710730 Bi\n0.710730 0.289270 0.289270 Bi\n0.289270 0.710730 0.710730 Bi\n0.710730 0.710730 0.289270 Bi\n0.710730 0.289270 0.710730 Bi\n0.289270 0.710730 0.289270 Bi\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Mn",
"Ni",
"Bi"
],
"chemical_system": "Bi-Mn-Ni",
"density": 9.367781795477246,
"density_atomic": 0.05053386005290316,
"volume": 435.3516627656886,
"volume_molar": 11.917040878522855,
"formula_full": "Mn10 Ni4 Bi8",
"formula_reduced": "Mn5(NiBi2)2",
"formula_anonymous": "A2B4C5",
"energy": -142.49073845,
"energy_per_atom": -6.476851747727273,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -142.49073845,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 41.1898534,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:09.600000Z",
"spacegroup": 216
},
{
"id": "mp-1406",
"created_at": "2022-09-04T14:43:14.553214Z",
"structure_string": "Mn1 Te1\n1.0\n0.000000 2.884982 2.884982\n2.884982 0.000000 2.884982\n2.884982 2.884982 0.000000\nMn Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Te"
],
"chemical_system": "Mn-Te",
"density": 6.311653854342164,
"density_atomic": 0.04164574892032001,
"volume": 48.024109347308425,
"volume_molar": 14.460397318156154,
"formula_full": "Mn1 Te1",
"formula_reduced": "MnTe",
"formula_anonymous": "AB",
"energy": -12.80053356,
"energy_per_atom": -6.40026678,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.37853356,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.6010175,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:09.014000Z",
"spacegroup": 225
},
{
"id": "mp-1359598",
"created_at": "2022-09-04T14:43:18.817681Z",
"structure_string": "V4 P6 O24\n1.0\n6.234945 0.000000 0.000000\n-1.775693 7.954015 0.000000\n-2.384712 -3.744451 8.317743\nV P O\n4 6 24\ndirect\n0.361487 0.455978 0.115084 V\n0.944405 0.285964 0.480588 V\n0.638513 0.544022 0.884916 V\n0.055595 0.714036 0.519412 V\n0.780221 0.832208 0.246270 P\n0.219779 0.167792 0.753730 P\n0.615020 0.777078 0.648383 P\n0.384980 0.222922 0.351617 P\n0.867029 0.371515 0.155297 P\n0.132971 0.628485 0.844703 P\n0.710029 0.975089 0.753266 O\n0.289971 0.024911 0.246734 O\n0.175123 0.827697 0.914568 O\n0.824877 0.172303 0.085432 O\n0.198417 0.966991 0.685600 O\n0.801583 0.033009 0.314400 O\n0.356081 0.709849 0.526945 O\n0.643919 0.290151 0.473055 O\n0.082026 0.549024 0.656151 O\n0.917974 0.450976 0.343849 O\n0.761269 0.699956 0.546898 O\n0.238731 0.300044 0.453102 O\n0.980288 0.794543 0.350316 O\n0.672364 0.444296 0.076676 O\n0.327636 0.555704 0.923324 O\n0.540110 0.707358 0.238372 O\n0.459890 0.292642 0.761628 O\n0.096652 0.489786 0.139662 O\n0.019712 0.205457 0.649684 O\n0.413243 0.354795 0.254347 O\n0.586757 0.645205 0.745653 O\n0.221657 0.232942 0.931151 O\n0.778343 0.767058 0.068849 O\n0.903348 0.510214 0.860338 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"V",
"P",
"O"
],
"chemical_system": "O-P-V",
"density": 3.114137302758513,
"density_atomic": 0.08242413290161392,
"volume": 412.5005481171917,
"volume_molar": 7.306283424526122,
"formula_full": "V4 P6 O24",
"formula_reduced": "V2(PO4)3",
"formula_anonymous": "A2B3C12",
"energy": -270.61912696,
"energy_per_atom": -7.959386087058824,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -247.33112696,
"band_gap": 0.9898,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0004664,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.938000Z",
"spacegroup": 2
},
{
"id": "mp-1519692",
"created_at": "2022-09-04T14:43:16.408308Z",
"structure_string": "Na1 In1 Ge4 O12\n1.0\n0.000000 -3.685872 -3.754020\n0.000000 -3.685872 3.754020\n-7.420834 0.000000 0.000000\nNa In Ge O\n1 1 4 12\ndirect\n0.015896 0.984104 0.500000 Na\n0.483278 0.516722 0.000000 In\n0.502431 0.006941 0.256501 Ge\n0.502431 0.006941 0.743499 Ge\n0.993059 0.497569 0.743499 Ge\n0.993059 0.497569 0.256501 Ge\n0.293571 0.299927 0.224467 O\n0.700073 0.706429 0.224467 O\n0.700073 0.706429 0.775533 O\n0.293571 0.299927 0.775533 O\n0.226930 0.773070 0.192069 O\n0.797919 0.202081 0.295356 O\n0.797919 0.202081 0.704644 O\n0.226930 0.773070 0.807931 O\n0.550016 0.073362 -0.000000 O\n0.445624 0.968519 0.500000 O\n0.926638 0.449984 -0.000000 O\n0.031481 0.554376 0.500000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Na",
"In",
"Ge",
"O"
],
"chemical_system": "Ge-In-Na-O",
"density": 5.016187244700006,
"density_atomic": 0.08765021007198913,
"volume": 205.36174397318828,
"volume_molar": 6.870651827364564,
"formula_full": "Na1 In1 Ge4 O12",
"formula_reduced": "NaIn(GeO3)4",
"formula_anonymous": "ABC4D12",
"energy": -109.66322618,
"energy_per_atom": -6.0924014544444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.41922618,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999925,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.289000Z",
"spacegroup": 38
}
]
}