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=76",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=74",
"results": [
{
"id": "mp-1096334",
"created_at": "2022-09-04T14:39:07.934947Z",
"structure_string": "Ti2 Ag1 Mo1\n1.0\n-4.982151 5.556345 7.886109\n4.982151 -5.556345 7.886109\n4.982151 5.556345 -7.886109\nTi Ag Mo\n2 1 1\ndirect\n0.000000 0.221649 0.221649 Ti\n0.000000 0.778351 0.778351 Ti\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Ag",
"Mo"
],
"chemical_system": "Ag-Mo-Ti",
"density": 0.5696108536329587,
"density_atomic": 0.004580692456938443,
"volume": 873.2304204228208,
"volume_molar": 131.46791269250517,
"formula_full": "Ti2 Ag1 Mo1",
"formula_reduced": "Ti2AgMo",
"formula_anonymous": "ABC2",
"energy": -17.07153508,
"energy_per_atom": -4.26788377,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.07153508,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9999509,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.740000Z",
"spacegroup": 71
},
{
"id": "mp-1218883",
"created_at": "2022-09-04T14:39:06.719864Z",
"structure_string": "Sr2 Ce1 Eu1 Cu2 Ru1 O10\n1.0\n2.757917 2.754192 0.000000\n-2.757917 2.754192 0.000000\n0.000000 2.744289 14.470642\nSr Ce Eu Cu Ru O\n2 1 1 2 1 10\ndirect\n0.575212 0.575212 0.841196 Sr\n0.417173 0.417173 0.152500 Sr\n0.293366 0.293366 0.412160 Ce\n0.704135 0.704135 0.590787 Eu\n0.141137 0.141137 0.713880 Cu\n0.854858 0.854858 0.286073 Cu\n0.972774 0.972774 0.000318 Ru\n0.062765 0.062765 0.866099 O\n0.926074 0.926074 0.136416 O\n0.645883 0.146563 0.704518 O\n0.146563 0.645883 0.704518 O\n0.348206 0.848898 0.299535 O\n0.848898 0.348206 0.299535 O\n0.752719 0.252706 0.494105 O\n0.252706 0.752719 0.494105 O\n0.474413 0.954117 0.002127 O\n0.954117 0.474413 0.002127 O\n",
"nsites": 17,
"nelements": 6,
"elements": [
"Sr",
"Ce",
"Eu",
"Cu",
"Ru",
"O"
],
"chemical_system": "Ce-Cu-Eu-O-Ru-Sr",
"density": 6.461952007932866,
"density_atomic": 0.07733137317971936,
"volume": 219.83315827706465,
"volume_molar": 7.787448369763778,
"formula_full": "Sr2 Ce1 Eu1 Cu2 Ru1 O10",
"formula_reduced": "Sr2CeEuCu2RuO10",
"formula_anonymous": "ABCD2E2F10",
"energy": -128.06651369,
"energy_per_atom": -7.533324334705882,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -121.19651369,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9050614,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.413000Z",
"spacegroup": 8
},
{
"id": "mp-1190655",
"created_at": "2022-09-04T14:39:07.942800Z",
"structure_string": "Li4 B4 H16\n1.0\n7.484810 0.000000 0.000000\n0.000000 8.685812 0.000000\n0.000000 1.042278 13.773539\nLi B H\n4 4 16\ndirect\n0.514331 0.743639 0.842494 Li\n0.514331 0.756361 0.157506 Li\n0.485669 0.256361 0.157506 Li\n0.485669 0.243639 0.842494 Li\n0.432088 0.504859 0.154085 B\n0.432088 0.995141 0.845915 B\n0.567912 0.495141 0.845915 B\n0.567912 0.004859 0.154085 B\n0.353650 0.462487 0.084099 H\n0.353650 0.037513 0.915901 H\n0.646350 0.537513 0.915901 H\n0.646350 0.962487 0.084099 H\n0.587704 0.547566 0.141817 H\n0.587704 0.952434 0.858183 H\n0.412296 0.452434 0.858183 H\n0.412296 0.047566 0.141817 H\n0.474501 0.211293 0.343863 H\n0.474501 0.288707 0.656137 H\n0.525499 0.788707 0.656137 H\n0.525499 0.711293 0.343863 H\n0.391937 0.451853 0.235147 H\n0.391937 0.048147 0.764853 H\n0.608063 0.548147 0.764853 H\n0.608063 0.951853 0.235147 H\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"B",
"H"
],
"chemical_system": "B-H-Li",
"density": 0.1615865408357268,
"density_atomic": 0.02680244992151538,
"volume": 895.4405313797175,
"volume_molar": 22.468620509074402,
"formula_full": "Li4 B4 H16",
"formula_reduced": "LiBH4",
"formula_anonymous": "ABC4",
"energy": -81.00728015,
"energy_per_atom": -3.375303339583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.14328015,
"band_gap": 0.9397000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0017483,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.107000Z",
"spacegroup": 13
},
{
"id": "mp-770632",
"created_at": "2022-09-04T14:39:08.004816Z",
"structure_string": "Li6 Cr2 O8\n1.0\n6.402270 -0.000007 0.000230\n-0.000006 5.463260 0.000156\n0.000179 0.000143 5.025534\nLi Cr O\n6 2 8\ndirect\n0.000006 0.159678 0.490084 Li\n0.246903 0.331750 0.991223 Li\n0.253094 0.668260 0.491277 Li\n0.500023 0.840359 0.990050 Li\n0.746904 0.668285 0.491260 Li\n0.753106 0.331755 0.991242 Li\n0.000010 0.828219 0.998899 Cr\n0.499981 0.171803 0.498236 Cr\n0.999981 0.128066 0.887434 O\n0.000027 0.818869 0.342692 O\n0.225806 0.684512 0.892014 O\n0.274099 0.315511 0.391807 O\n0.500018 0.181131 0.842088 O\n0.499940 0.871693 0.387280 O\n0.725866 0.315560 0.391920 O\n0.774235 0.684549 0.891962 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 2.5849380225463934,
"density_atomic": 0.09102316096225099,
"volume": 175.77943713287982,
"volume_molar": 6.616053207048583,
"formula_full": "Li6 Cr2 O8",
"formula_reduced": "Li3CrO4",
"formula_anonymous": "AB3C4",
"energy": -105.22587769,
"energy_per_atom": -6.576617355625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.73187769,
"band_gap": 0.8956999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9967909,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.132000Z",
"spacegroup": 31
},
{
"id": "mp-766957",
"created_at": "2022-09-04T14:39:06.658480Z",
"structure_string": "Fe4 B4 P8 H20 N4 O36\n1.0\n8.390516 0.000000 0.000000\n0.000000 9.473411 0.000000\n0.000000 2.080396 9.577578\nFe B P H N O\n4 4 8 20 4 36\ndirect\n0.346494 0.788137 0.930619 Fe\n0.153506 0.788137 0.430619 Fe\n0.846494 0.211863 0.569381 Fe\n0.653506 0.211863 0.069381 Fe\n0.937550 0.667611 0.691564 B\n0.562450 0.667611 0.191564 B\n0.437550 0.332389 0.808436 B\n0.062450 0.332389 0.308436 B\n0.062411 0.924491 0.705118 P\n0.437589 0.924491 0.205118 P\n0.257123 0.578142 0.716341 P\n0.242877 0.578142 0.216341 P\n0.757123 0.421858 0.783659 P\n0.742877 0.421858 0.283659 P\n0.562411 0.075509 0.794882 P\n0.937589 0.075509 0.294882 P\n0.686366 0.887845 0.521545 H\n0.554193 0.845191 0.653921 H\n0.501310 0.829541 0.489129 H\n0.813634 0.887845 0.021545 H\n0.945807 0.845191 0.153921 H\n0.635050 0.714816 0.584389 H\n0.998690 0.829541 0.989129 H\n0.864950 0.714816 0.084389 H\n0.917462 0.600209 0.503464 H\n0.582538 0.600209 0.003464 H\n0.417462 0.399791 0.996536 H\n0.082538 0.399791 0.496536 H\n0.135050 0.285184 0.915611 H\n0.001310 0.170459 0.010871 H\n0.364950 0.285184 0.415611 H\n0.054193 0.154809 0.846079 H\n0.186366 0.112155 0.978455 H\n0.498690 0.170459 0.510871 H\n0.445807 0.154809 0.346079 H\n0.313634 0.112155 0.478455 H\n0.593899 0.819210 0.561228 N\n0.906101 0.819210 0.061228 N\n0.093899 0.180790 0.938772 N\n0.406101 0.180790 0.438772 N\n0.494174 0.923188 0.805729 O\n0.153128 0.887506 0.845964 O\n0.165757 0.911434 0.578438 O\n0.005826 0.923188 0.305729 O\n0.918834 0.813936 0.718786 O\n0.346872 0.887506 0.345964 O\n0.334243 0.911434 0.078438 O\n0.581166 0.813936 0.218786 O\n0.370496 0.655191 0.799074 O\n0.947457 0.686810 0.536415 O\n0.079510 0.591605 0.762204 O\n0.790240 0.589244 0.742477 O\n0.276396 0.629178 0.558257 O\n0.129504 0.655191 0.299074 O\n0.552543 0.686810 0.036415 O\n0.420490 0.591605 0.262204 O\n0.709760 0.589244 0.242477 O\n0.223604 0.629178 0.058257 O\n0.776396 0.370822 0.941743 O\n0.290240 0.410756 0.757523 O\n0.579510 0.408395 0.737796 O\n0.447457 0.313190 0.963585 O\n0.870496 0.344809 0.700926 O\n0.723604 0.370822 0.441743 O\n0.209760 0.410756 0.257523 O\n0.920490 0.408395 0.237796 O\n0.052543 0.313190 0.463585 O\n0.629504 0.344809 0.200926 O\n0.418834 0.186064 0.781214 O\n0.665757 0.088566 0.921562 O\n0.653128 0.112494 0.654036 O\n0.081166 0.186064 0.281214 O\n0.994174 0.076812 0.694271 O\n0.834243 0.088566 0.421562 O\n0.846872 0.112494 0.154036 O\n0.505826 0.076812 0.194271 O\n",
"nsites": 76,
"nelements": 6,
"elements": [
"Fe",
"B",
"P",
"H",
"N",
"O"
],
"chemical_system": "B-Fe-H-N-O-P",
"density": 2.5445569091225653,
"density_atomic": 0.09983040785411108,
"volume": 761.2910898958154,
"volume_molar": 6.032371187745282,
"formula_full": "Fe4 B4 P8 H20 N4 O36",
"formula_reduced": "FeBP2H5NO9",
"formula_anonymous": "ABCD2E5F9",
"energy": -531.5058903400001,
"energy_per_atom": -6.993498557105264,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -496.30589034,
"band_gap": 2.8005,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.003502,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.564000Z",
"spacegroup": 14
},
{
"id": "mp-1327088",
"created_at": "2022-09-04T14:39:13.833498Z",
"structure_string": "Mg12 Si12 Mo8 O48\n1.0\n-6.032356 6.032356 6.032356\n6.032356 -6.032356 6.032356\n6.032356 6.032356 -6.032356\nMg Si Mo O\n12 12 8 48\ndirect\n0.250000 0.375000 0.125000 Mg\n0.750000 0.125000 0.375000 Mg\n0.375000 0.125000 0.250000 Mg\n0.125000 0.375000 0.750000 Mg\n0.250000 0.875000 0.625000 Mg\n0.125000 0.250000 0.375000 Mg\n0.625000 0.250000 0.875000 Mg\n0.750000 0.625000 0.875000 Mg\n0.875000 0.750000 0.625000 Mg\n0.875000 0.625000 0.250000 Mg\n0.625000 0.875000 0.750000 Mg\n0.375000 0.750000 0.125000 Mg\n0.125000 0.750000 0.875000 Si\n0.875000 0.250000 0.125000 Si\n0.750000 0.375000 0.625000 Si\n0.125000 0.875000 0.250000 Si\n0.250000 0.125000 0.875000 Si\n0.375000 0.625000 0.750000 Si\n0.375000 0.250000 0.625000 Si\n0.875000 0.125000 0.750000 Si\n0.625000 0.375000 0.250000 Si\n0.750000 0.875000 0.125000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.500000 0.000000 0.000000 Mo\n0.500000 0.500000 0.000000 Mo\n0.000000 0.500000 0.500000 Mo\n0.000000 0.000000 0.500000 Mo\n0.500000 0.500000 0.500000 Mo\n0.000000 0.500000 0.000000 Mo\n0.500000 0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.593551 0.894891 0.372640 O\n0.372640 0.593551 0.894891 O\n0.279089 0.301340 0.906449 O\n0.477749 0.605109 0.198660 O\n0.301340 0.894891 0.022251 O\n0.127360 0.022251 0.220911 O\n0.372640 0.279089 0.477749 O\n0.894891 0.372640 0.593551 O\n0.198660 0.220911 0.593551 O\n0.477749 0.372640 0.279089 O\n0.894891 0.022251 0.301340 O\n0.605109 0.906449 0.127360 O\n0.906449 0.127360 0.605109 O\n0.279089 0.477749 0.372640 O\n0.593551 0.198660 0.220911 O\n0.220911 0.593551 0.198660 O\n0.022251 0.301340 0.894891 O\n0.906449 0.279089 0.301340 O\n0.022251 0.220911 0.127360 O\n0.801340 0.779089 0.406449 O\n0.198660 0.477749 0.605109 O\n0.605109 0.198660 0.477749 O\n0.220911 0.127360 0.022251 O\n0.127360 0.605109 0.906449 O\n0.406449 0.105109 0.627360 O\n0.627360 0.406449 0.105109 O\n0.720911 0.698660 0.093551 O\n0.522251 0.394891 0.801340 O\n0.698660 0.105109 0.977749 O\n0.872640 0.977749 0.779089 O\n0.627360 0.720911 0.522251 O\n0.105109 0.627360 0.406449 O\n0.872640 0.394891 0.093551 O\n0.779089 0.872640 0.977749 O\n0.394891 0.801340 0.522251 O\n0.698660 0.093551 0.720911 O\n0.801340 0.522251 0.394891 O\n0.977749 0.779089 0.872640 O\n0.093551 0.720911 0.698660 O\n0.977749 0.698660 0.105109 O\n0.779089 0.406449 0.801340 O\n0.406449 0.801340 0.779089 O\n0.720911 0.522251 0.627360 O\n0.093551 0.872640 0.394891 O\n0.394891 0.093551 0.872640 O\n0.105109 0.977749 0.698660 O\n0.522251 0.627360 0.720911 O\n0.301340 0.906449 0.279089 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Mg",
"Si",
"Mo",
"O"
],
"chemical_system": "Mg-Mo-O-Si",
"density": 4.092804806839361,
"density_atomic": 0.09111064161847329,
"volume": 878.0533050683672,
"volume_molar": 6.6097007473811615,
"formula_full": "Mg12 Si12 Mo8 O48",
"formula_reduced": "Mg3Si3(MoO6)2",
"formula_anonymous": "A2B3C3D12",
"energy": -632.22226403,
"energy_per_atom": -7.902778300375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -573.63026403,
"band_gap": 2.6674999999999995,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 23.9999721,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.656000Z",
"spacegroup": 230
},
{
"id": "mp-1235587",
"created_at": "2022-09-04T14:39:05.873188Z",
"structure_string": "Li1 Ni9 O13\n1.0\n2.886867 0.000889 -0.001081\n-1.441911 4.833939 -0.772411\n-0.005717 -0.076353 16.109197\nLi Ni O\n1 9 13\ndirect\n0.792037 0.586247 0.770680 Li\n0.498983 0.997412 0.497197 Ni\n0.647131 0.295508 0.049229 Ni\n0.353445 0.707554 0.961489 Ni\n0.747706 0.494674 0.411257 Ni\n0.252306 0.504222 0.579849 Ni\n0.937946 0.875595 0.125759 Ni\n0.066009 0.133257 0.876221 Ni\n0.993761 0.986707 0.332335 Ni\n0.011050 0.022705 0.666683 Ni\n0.997096 0.994595 0.013393 O\n0.876290 0.751250 0.227098 O\n0.137614 0.274835 0.771578 O\n0.297456 0.598140 0.076242 O\n0.701286 0.403615 0.933181 O\n0.566274 0.131568 0.153087 O\n0.427434 0.855894 0.857540 O\n0.609837 0.220226 0.308631 O\n0.384550 0.768983 0.685524 O\n0.383989 0.766829 0.381360 O\n0.617699 0.235531 0.611205 O\n0.125206 0.249887 0.455666 O\n0.866565 0.732263 0.529797 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 5.493220754421107,
"density_atomic": 0.10238006483370585,
"volume": 224.65311032336714,
"volume_molar": 5.8821419675614175,
"formula_full": "Li1 Ni9 O13",
"formula_reduced": "LiNi9O13",
"formula_anonymous": "AB9C13",
"energy": -140.56199069000002,
"energy_per_atom": -6.111390899565218,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.76199069,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.6572824,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.218000Z",
"spacegroup": 8
},
{
"id": "mp-1233810",
"created_at": "2022-09-04T14:39:07.962455Z",
"structure_string": "Mg1 V8 O8 F8\n1.0\n-5.001650 0.148482 -0.005755\n-0.152108 4.429932 -9.503398\n0.146269 -4.641421 -3.269303\nMg V O F\n1 8 8 8\ndirect\n0.521949 0.646056 0.570034 Mg\n0.493877 0.261091 0.753438 V\n0.530898 0.004452 0.516296 V\n0.484422 0.781296 0.069679 V\n0.502637 0.483728 0.033762 V\n0.990519 0.230769 0.276919 V\n0.039007 0.776787 0.716361 V\n0.003397 0.497249 0.491553 V\n0.025213 0.006416 0.018338 V\n0.829269 0.069844 0.304952 O\n0.697565 0.819727 0.556807 O\n0.670039 0.571343 0.292966 O\n0.687721 0.319866 0.034860 O\n0.324981 0.439100 0.696878 O\n0.335589 0.652872 0.878583 O\n0.323680 0.178254 0.494059 O\n0.261454 0.917314 0.767527 O\n0.837082 0.568253 0.772540 F\n0.822550 0.320225 0.546152 F\n0.879778 0.818920 0.025066 F\n0.700042 0.081135 0.797557 F\n0.346526 0.933361 0.243828 F\n0.159736 0.683045 0.418558 F\n0.199541 0.189348 0.982025 F\n0.165859 0.424551 0.217449 F\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Mg",
"V",
"O",
"F"
],
"chemical_system": "F-Mg-O-V",
"density": 4.03722402438143,
"density_atomic": 0.08538939262014084,
"volume": 292.7764120681102,
"volume_molar": 7.052563058727689,
"formula_full": "Mg1 V8 O8 F8",
"formula_reduced": "MgV8(OF)8",
"formula_anonymous": "AB8C8D8",
"energy": -196.08878001,
"energy_per_atom": -7.843551200399999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -173.29678001,
"band_gap": 0.2317,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.917000Z",
"spacegroup": 1
},
{
"id": "mp-1360171",
"created_at": "2022-09-04T14:39:06.664780Z",
"structure_string": "Sr4 Y2 V2 Cu4 O14\n1.0\n-2.791870 2.828541 11.996219\n2.791870 -2.828541 11.996219\n2.791870 2.828541 -11.996219\nSr Y V Cu O\n4 2 2 4 14\ndirect\n0.163976 0.655044 0.531374 Sr\n0.836024 0.367398 0.491068 Sr\n0.623670 0.155044 0.491068 Sr\n0.376330 0.867398 0.531374 Sr\n0.500000 0.015524 0.515524 Y\n0.000000 0.515524 0.515524 Y\n0.826584 0.718645 0.045228 V\n0.173416 0.218645 0.892061 V\n0.065121 0.080360 0.013206 Cu\n0.934879 0.948085 0.015240 Cu\n0.567154 0.580360 0.015240 Cu\n0.432846 0.448085 0.013206 Cu\n0.128078 0.872760 0.500838 O\n0.871922 0.372760 0.744682 O\n0.308839 0.822336 0.005185 O\n0.691161 0.696347 0.513497 O\n0.317151 0.322336 0.513497 O\n0.682849 0.196347 0.005185 O\n0.818888 0.332549 0.022915 O\n0.181112 0.204027 0.513661 O\n0.809634 0.832549 0.513661 O\n0.190366 0.704027 0.022915 O\n0.642433 0.718776 0.997610 O\n0.357567 0.355178 0.076343 O\n0.221165 0.218776 0.076343 O\n0.778835 0.855178 0.997610 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Y",
"V",
"Cu",
"O"
],
"chemical_system": "Cu-O-Sr-V-Y",
"density": 4.856955153734498,
"density_atomic": 0.06861377290947791,
"volume": 378.93266756080845,
"volume_molar": 8.776868702359517,
"formula_full": "Sr4 Y2 V2 Cu4 O14",
"formula_reduced": "Sr2YVCu2O7",
"formula_anonymous": "ABC2D2E7",
"energy": -188.51623202,
"energy_per_atom": -7.250624308461538,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.49823202,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6872778,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.560000Z",
"spacegroup": 46
},
{
"id": "mp-997163",
"created_at": "2022-09-04T14:39:07.964645Z",
"structure_string": "Mn1 Au1 O2\n1.0\n6.221677 -1.581038 0.000000\n6.221677 1.581038 0.000000\n5.819907 0.000000 2.708805\nMn Au O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Au\n0.111864 0.111864 0.111864 O\n0.888136 0.888136 0.888136 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Au",
"O"
],
"chemical_system": "Au-Mn-O",
"density": 8.846311041265302,
"density_atomic": 0.07505894989434973,
"volume": 53.291446331586776,
"volume_molar": 8.023214777820032,
"formula_full": "Mn1 Au1 O2",
"formula_reduced": "MnAuO2",
"formula_anonymous": "ABC2",
"energy": -27.74761477,
"energy_per_atom": -6.9369036925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.70561477,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999604,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.477000Z",
"spacegroup": 166
},
{
"id": "mp-20630",
"created_at": "2022-09-04T14:39:08.010505Z",
"structure_string": "Ho1 Mn6 Sn6\n1.0\n2.727695 -4.724506 0.000000\n2.727695 4.724506 0.000000\n0.000000 0.000000 8.993162\nHo Mn Sn\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Ho\n0.000000 0.500000 0.751432 Mn\n0.000000 0.500000 0.248568 Mn\n0.500000 0.500000 0.248568 Mn\n0.500000 0.000000 0.248568 Mn\n0.500000 0.500000 0.751432 Mn\n0.500000 0.000000 0.751432 Mn\n0.000000 0.000000 0.666559 Sn\n0.333333 0.666667 0.500000 Sn\n0.666667 0.333333 0.000000 Sn\n0.333333 0.666667 0.000000 Sn\n0.000000 0.000000 0.333441 Sn\n0.666667 0.333333 0.500000 Sn\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ho",
"Mn",
"Sn"
],
"chemical_system": "Ho-Mn-Sn",
"density": 8.645626389303011,
"density_atomic": 0.05608525869705875,
"volume": 231.78996231824019,
"volume_molar": 10.737475229504142,
"formula_full": "Ho1 Mn6 Sn6",
"formula_reduced": "Ho(MnSn)6",
"formula_anonymous": "AB6C6",
"energy": -85.41056063,
"energy_per_atom": -6.570043125384616,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.41056063,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.7993739,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.274000Z",
"spacegroup": 191
},
{
"id": "mp-1211623",
"created_at": "2022-09-04T14:39:15.669734Z",
"structure_string": "Sr2 Mn1 Sn2\n1.0\n8.688456 0.000000 0.000000\n0.000000 8.688456 0.000000\n0.000000 0.000000 27.486471\nSr Mn Sn\n2 1 2\ndirect\n0.500000 0.500000 0.670838 Sr\n0.500000 0.500000 0.329162 Sr\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.215147 Sn\n0.500000 0.500000 0.784853 Sn\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"Sn"
],
"chemical_system": "Mn-Sn-Sr",
"density": 0.37421189465573396,
"density_atomic": 0.002409715704074322,
"volume": 2074.933566456015,
"volume_molar": 249.91084009693873,
"formula_full": "Sr2 Mn1 Sn2",
"formula_reduced": "Sr2MnSn2",
"formula_anonymous": "AB2C2",
"energy": -10.02784783,
"energy_per_atom": -2.005569566,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.02784783,
"band_gap": 0.5518000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9912003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.879000Z",
"spacegroup": 123
}
]
}