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=1752",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=1750",
"results": [
{
"id": "mp-505043",
"created_at": "2022-09-04T14:41:14.655151Z",
"structure_string": "Eu6 Sb10 O24\n1.0\n-5.524037 5.524037 5.524037\n5.524037 -5.524037 5.524037\n5.524037 5.524037 -5.524037\nEu Sb O\n6 10 24\ndirect\n0.250000 0.750000 0.500000 Eu\n0.500000 0.250000 0.750000 Eu\n0.500000 0.750000 0.250000 Eu\n0.250000 0.500000 0.750000 Eu\n0.750000 0.500000 0.250000 Eu\n0.750000 0.250000 0.500000 Eu\n0.276737 0.000000 0.276737 Sb\n0.723263 0.000000 0.723263 Sb\n0.723263 0.723263 0.000000 Sb\n0.276737 0.276737 0.000000 Sb\n0.000000 0.276737 0.276737 Sb\n0.000000 0.723263 0.723263 Sb\n0.502554 0.502554 0.502554 Sb\n0.000000 0.000000 0.497446 Sb\n0.497446 0.000000 0.000000 Sb\n0.000000 0.497446 0.000000 Sb\n0.513174 0.513174 0.796392 O\n0.000000 0.283218 0.486826 O\n0.203608 0.716782 0.716782 O\n0.716782 0.203608 0.716782 O\n0.283218 0.000000 0.486826 O\n0.486826 0.283218 0.000000 O\n0.283218 0.486826 0.000000 O\n0.486826 0.000000 0.283218 O\n0.000000 0.486826 0.283218 O\n0.796392 0.513174 0.513174 O\n0.513174 0.796392 0.513174 O\n0.716782 0.716782 0.203608 O\n0.470129 0.272554 0.470129 O\n0.802424 0.000000 0.529871 O\n0.529871 0.000000 0.802424 O\n0.802424 0.529871 0.000000 O\n0.197576 0.197576 0.727446 O\n0.727446 0.197576 0.197576 O\n0.000000 0.529871 0.802424 O\n0.000000 0.802424 0.529871 O\n0.529871 0.802424 0.000000 O\n0.470129 0.470129 0.272554 O\n0.272554 0.470129 0.470129 O\n0.197576 0.727446 0.197576 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Eu",
"Sb",
"O"
],
"chemical_system": "Eu-O-Sb",
"density": 6.189787327515486,
"density_atomic": 0.059323977776518315,
"volume": 674.2636198584925,
"volume_molar": 10.151276070337431,
"formula_full": "Eu6 Sb10 O24",
"formula_reduced": "Eu3Sb5O12",
"formula_anonymous": "A3B5C12",
"energy": -315.75488015,
"energy_per_atom": -7.89387200375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -299.26688015,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 35.9504504,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.804000Z",
"spacegroup": 217
},
{
"id": "mp-581085",
"created_at": "2022-09-04T14:41:14.662738Z",
"structure_string": "Na14 Sr4 Fe14 F64\n1.0\n0.000000 5.505590 22.773330\n5.282687 0.000000 22.773330\n5.282687 5.505590 0.000000\nNa Sr Fe F\n14 4 14 64\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Na\n0.745666 0.745666 0.254334 Na\n0.254334 0.254334 0.745666 Na\n0.504334 0.504334 0.995666 Na\n0.995666 0.995666 0.504334 Na\n0.062689 0.554596 0.440108 Na\n0.942607 0.440108 0.554596 Na\n0.440108 0.942607 0.062689 Na\n0.554596 0.062689 0.942607 Na\n0.187311 0.695404 0.809892 Na\n0.307393 0.809892 0.695404 Na\n0.809892 0.307393 0.187311 Na\n0.695404 0.187311 0.307393 Na\n0.867833 0.867833 0.132167 Sr\n0.132167 0.132167 0.867833 Sr\n0.382167 0.382167 0.117833 Sr\n0.117833 0.117833 0.382167 Sr\n0.500000 0.500000 0.500000 Fe\n0.750000 0.750000 0.750000 Fe\n0.625000 0.625000 0.125000 Fe\n0.625000 0.125000 0.625000 Fe\n0.125000 0.625000 0.625000 Fe\n0.625000 0.625000 0.625000 Fe\n0.192919 0.692579 0.279566 Fe\n0.834936 0.279566 0.692579 Fe\n0.279566 0.834936 0.192919 Fe\n0.692579 0.192919 0.834936 Fe\n0.057081 0.557421 0.970434 Fe\n0.415064 0.970434 0.557421 Fe\n0.970434 0.415064 0.057081 Fe\n0.557421 0.057081 0.415064 Fe\n0.245341 0.695194 0.059206 F\n0.000259 0.059206 0.695194 F\n0.059206 0.000259 0.245341 F\n0.695194 0.245341 0.000259 F\n0.004659 0.554806 0.190794 F\n0.249741 0.190794 0.554806 F\n0.190794 0.249741 0.004659 F\n0.554806 0.004659 0.249741 F\n0.024901 0.150404 0.734682 F\n0.090014 0.734682 0.150404 F\n0.734682 0.090014 0.024901 F\n0.150404 0.024901 0.090014 F\n0.225099 0.099596 0.515318 F\n0.159986 0.515318 0.099596 F\n0.515318 0.159986 0.225099 F\n0.099596 0.225099 0.159986 F\n0.141413 0.586038 0.390566 F\n0.881983 0.390566 0.586038 F\n0.390566 0.881983 0.141413 F\n0.586038 0.141413 0.881983 F\n0.108587 0.663962 0.859434 F\n0.368017 0.859434 0.663962 F\n0.859434 0.368017 0.108587 F\n0.663962 0.108587 0.368017 F\n0.840600 0.807314 0.984066 F\n0.368021 0.984066 0.807314 F\n0.984066 0.368021 0.840600 F\n0.807314 0.840600 0.368021 F\n0.409400 0.442686 0.265934 F\n0.881979 0.265934 0.442686 F\n0.265934 0.881979 0.409400 F\n0.442686 0.409400 0.881979 F\n0.519884 0.647086 0.126068 F\n0.706961 0.126068 0.647086 F\n0.126068 0.706961 0.519884 F\n0.647086 0.519884 0.706961 F\n0.730116 0.602914 0.123932 F\n0.543039 0.123932 0.602914 F\n0.123932 0.543039 0.730116 F\n0.602914 0.730116 0.543039 F\n0.312355 0.267594 0.485112 F\n0.934938 0.485112 0.267594 F\n0.485112 0.934938 0.312355 F\n0.267594 0.312355 0.934938 F\n0.937645 0.982406 0.764888 F\n0.315062 0.764888 0.982406 F\n0.764888 0.315062 0.937645 F\n0.982406 0.937645 0.315062 F\n0.418851 0.640444 0.323887 F\n0.616818 0.323887 0.640444 F\n0.323887 0.616818 0.418851 F\n0.640444 0.418851 0.616818 F\n0.831149 0.609556 0.926113 F\n0.633182 0.926113 0.609556 F\n0.926113 0.633182 0.831149 F\n0.609556 0.831149 0.633182 F\n0.616900 0.616900 0.383100 F\n0.383100 0.383100 0.616900 F\n0.633100 0.633100 0.866900 F\n0.866900 0.866900 0.633100 F\n0.681286 0.318714 0.318714 F\n0.318714 0.681286 0.681286 F\n0.568714 0.931286 0.931286 F\n0.931286 0.568714 0.568714 F\n",
"nsites": 96,
"nelements": 4,
"elements": [
"Na",
"Sr",
"Fe",
"F"
],
"chemical_system": "F-Fe-Na-Sr",
"density": 3.3469989899188506,
"density_atomic": 0.07246961466447088,
"volume": 1324.6931206199056,
"volume_molar": 8.309883787684093,
"formula_full": "Na14 Sr4 Fe14 F64",
"formula_reduced": "Na7Sr2Fe7F32",
"formula_anonymous": "A2B7C7D32",
"energy": -551.07407961,
"energy_per_atom": -5.7403549959375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -489.92207961,
"band_gap": 3.196,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 70.1039822,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:29.097000Z",
"spacegroup": 70
},
{
"id": "mp-1217369",
"created_at": "2022-09-04T14:41:14.663776Z",
"structure_string": "V4 Zn3 Cu3 O22\n1.0\n5.903576 0.000000 0.000000\n2.925914 5.174683 0.000000\n0.095718 0.092514 14.664837\nV Zn Cu O\n4 3 3 22\ndirect\n0.000952 0.995161 0.871820 V\n0.003630 0.997163 0.373275 V\n0.996370 0.002837 0.626725 V\n0.999048 0.004839 0.128180 V\n0.000000 0.500000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.334575 0.335791 0.767057 O\n0.332163 0.333353 0.263878 O\n0.667837 0.666647 0.736122 O\n0.665425 0.664209 0.232943 O\n0.351216 0.322197 0.553348 O\n0.342095 0.313936 0.056017 O\n0.657905 0.686064 0.943983 O\n0.648784 0.677803 0.446652 O\n0.998875 0.001038 0.748839 O\n0.001125 0.998962 0.251161 O\n0.314472 0.846342 0.583113 O\n0.315625 0.852961 0.084137 O\n0.839893 0.844530 0.585484 O\n0.838442 0.850159 0.085545 O\n0.836383 0.316521 0.584199 O\n0.841243 0.317510 0.087940 O\n0.684375 0.147039 0.915863 O\n0.685528 0.153658 0.416887 O\n0.161558 0.149841 0.914455 O\n0.160107 0.155470 0.414516 O\n0.158757 0.682490 0.912060 O\n0.163617 0.683479 0.415801 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"V",
"Zn",
"Cu",
"O"
],
"chemical_system": "Cu-O-V-Zn",
"density": 3.493884830571769,
"density_atomic": 0.07142887819416319,
"volume": 447.99807597447165,
"volume_molar": 8.430960855398258,
"formula_full": "V4 Zn3 Cu3 O22",
"formula_reduced": "V4Zn3Cu3O22",
"formula_anonymous": "A3B3C4D22",
"energy": -200.03992282,
"energy_per_atom": -6.251247588125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -178.12592282,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9250408,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.284000Z",
"spacegroup": 2
},
{
"id": "mp-1247473",
"created_at": "2022-09-04T14:41:14.687305Z",
"structure_string": "Li12 Cr4 N8\n1.0\n7.428060 -0.029013 0.039070\n-3.355932 6.241476 0.000000\n-8.144256 -4.379023 5.896813\nLi Cr N\n12 4 8\ndirect\n0.000000 0.500000 0.373099 Li\n0.000000 0.000000 0.876901 Li\n0.000000 0.500000 0.126901 Li\n0.000000 0.000000 0.123099 Li\n0.532287 0.500000 0.516143 Li\n0.467713 0.500000 0.983857 Li\n0.532287 0.000000 0.266143 Li\n0.467713 0.000000 0.733857 Li\n0.467713 0.967713 0.983857 Li\n0.532287 0.032287 0.516143 Li\n0.467713 0.467713 0.733857 Li\n0.532287 0.532287 0.266143 Li\n0.000000 0.500000 0.621818 Cr\n0.000000 0.000000 0.628182 Cr\n0.000000 0.500000 0.878182 Cr\n0.000000 0.000000 0.371818 Cr\n0.410153 0.705077 0.750879 N\n0.589847 0.294923 0.340725 N\n0.410153 0.205077 0.909275 N\n0.589847 0.794923 0.499121 N\n0.000000 0.294923 0.954198 N\n0.000000 0.705077 0.954198 N\n0.000000 0.794923 0.295802 N\n0.000000 0.205077 0.295802 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Cr",
"N"
],
"chemical_system": "Cr-Li-N",
"density": 2.432125809609816,
"density_atomic": 0.08715406625776903,
"volume": 275.374414878326,
"volume_molar": 6.909764533749656,
"formula_full": "Li12 Cr4 N8",
"formula_reduced": "Li3CrN2",
"formula_anonymous": "AB2C3",
"energy": -139.39170204,
"energy_per_atom": -5.807987585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.50370204,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3054008,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.153000Z",
"spacegroup": 141
},
{
"id": "mp-777187",
"created_at": "2022-09-04T14:41:14.955505Z",
"structure_string": "Li3 Fe9 O5 F11\n1.0\n6.161709 0.000000 0.000000\n-2.951447 5.476744 0.000000\n-2.865793 -1.670919 10.204420\nLi Fe O F\n3 9 5 11\ndirect\n0.610392 0.046521 0.195973 Li\n0.605209 0.561902 0.194609 Li\n0.638265 0.792858 0.425255 Li\n0.633079 0.299404 0.936617 Fe\n0.632226 0.076805 0.691156 Fe\n0.999923 0.983489 0.976437 Fe\n0.637967 0.562268 0.690322 Fe\n0.136379 0.058546 0.689661 Fe\n0.261624 0.170949 0.390691 Fe\n0.222239 0.658572 0.877790 Fe\n0.029488 0.487717 0.481133 Fe\n0.130798 0.552391 0.201041 Fe\n0.391637 0.211181 0.585631 O\n0.392970 0.964750 0.815585 O\n0.855640 0.428799 0.818464 O\n0.858393 0.924085 0.783000 O\n0.375895 0.467611 0.312509 O\n0.384741 0.436563 0.823679 F\n0.858453 0.158920 0.546679 F\n0.410151 0.710345 0.556875 F\n0.821140 0.405443 0.291154 F\n0.873282 0.182381 0.072363 F\n0.896744 0.688382 0.558883 F\n0.870424 0.661757 0.073089 F\n0.390093 0.197821 0.062191 F\n0.851758 0.933549 0.309181 F\n0.343094 0.918596 0.307028 F\n0.387997 0.708392 0.083001 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.917518323910791,
"density_atomic": 0.08131039689547158,
"volume": 344.3594062884153,
"volume_molar": 7.406360059638808,
"formula_full": "Li3 Fe9 O5 F11",
"formula_reduced": "Li3Fe9O5F11",
"formula_anonymous": "A3B5C9D11",
"energy": -190.03392987,
"energy_per_atom": -6.786926066785715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.21292987,
"band_gap": 1.6456000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 36.0000487,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.542000Z",
"spacegroup": 1
},
{
"id": "mp-753253",
"created_at": "2022-09-04T14:41:14.691109Z",
"structure_string": "Li2 Mn4 F14\n1.0\n-5.613397 0.000000 0.000000\n-0.415667 -6.729896 0.000000\n1.608865 2.721013 7.777342\nLi Mn F\n2 4 14\ndirect\n0.128374 0.019681 0.754372 Li\n0.871626 0.980319 0.245628 Li\n0.719491 0.718232 0.818499 Mn\n0.206471 0.477733 0.671762 Mn\n0.793529 0.522267 0.328238 Mn\n0.280509 0.281768 0.181501 Mn\n0.332232 0.176253 0.960214 F\n0.069604 0.587074 0.869959 F\n0.841906 0.964945 0.822042 F\n0.566099 0.456091 0.776548 F\n0.103265 0.209365 0.627318 F\n0.315708 0.751197 0.696854 F\n0.797929 0.592586 0.577975 F\n0.202071 0.407414 0.422025 F\n0.684292 0.248803 0.303146 F\n0.896735 0.790635 0.372682 F\n0.433901 0.543909 0.223452 F\n0.158094 0.035055 0.177958 F\n0.930396 0.412926 0.130041 F\n0.667768 0.823747 0.039786 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 2.8236866336002158,
"density_atomic": 0.06807140076139961,
"volume": 293.8091441676509,
"volume_molar": 8.846800113763635,
"formula_full": "Li2 Mn4 F14",
"formula_reduced": "LiMn2F7",
"formula_anonymous": "AB2C7",
"energy": -123.24606012,
"energy_per_atom": -6.162303006,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.10606012,
"band_gap": 1.2902,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9988656,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.708000Z",
"spacegroup": 2
},
{
"id": "mp-772528",
"created_at": "2022-09-04T14:41:14.692167Z",
"structure_string": "Mn4 Zn4 O12\n1.0\n5.188248 0.000000 0.000000\n0.000000 7.405507 0.000000\n0.000000 0.000000 5.077817\nMn Zn O\n4 4 12\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.048148 0.250000 0.991164 Zn\n0.451852 0.750000 0.491164 Zn\n0.548148 0.250000 0.508836 Zn\n0.951852 0.750000 0.008836 Zn\n0.062070 0.750000 0.620070 O\n0.189492 0.564430 0.184818 O\n0.189492 0.935570 0.184818 O\n0.310508 0.064430 0.684818 O\n0.310508 0.435570 0.684818 O\n0.437930 0.250000 0.120070 O\n0.562070 0.750000 0.879930 O\n0.689492 0.935570 0.315182 O\n0.689492 0.564430 0.315182 O\n0.810508 0.064430 0.815182 O\n0.810508 0.435570 0.815182 O\n0.937930 0.250000 0.379930 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"O"
],
"chemical_system": "Mn-O-Zn",
"density": 5.731355844333344,
"density_atomic": 0.10251264195835083,
"volume": 195.097888591396,
"volume_molar": 5.874534735380925,
"formula_full": "Mn4 Zn4 O12",
"formula_reduced": "MnZnO3",
"formula_anonymous": "ABC3",
"energy": -135.48379976,
"energy_per_atom": -6.774189988000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.56779976,
"band_gap": 0.1149,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9976204,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.839000Z",
"spacegroup": 62
},
{
"id": "mp-1206079",
"created_at": "2022-09-04T14:41:14.730585Z",
"structure_string": "Th2 Co3 P3\n1.0\n5.383756 0.000000 0.000000\n0.000000 5.383756 0.000000\n0.000000 0.000000 17.846609\nTh Co P\n2 3 3\ndirect\n0.500000 0.500000 0.764770 Th\n0.500000 0.500000 0.235230 Th\n0.500000 0.500000 0.119344 Co\n0.500000 0.500000 0.880656 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 0.378864 P\n0.500000 0.500000 0.621136 P\n0.500000 0.500000 0.000000 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Th",
"Co",
"P"
],
"chemical_system": "Co-P-Th",
"density": 2.355583901718103,
"density_atomic": 0.015465484876090133,
"volume": 517.280904161506,
"volume_molar": 38.93923021650824,
"formula_full": "Th2 Co3 P3",
"formula_reduced": "Th2(CoP)3",
"formula_anonymous": "A2B3C3",
"energy": -40.59369727,
"energy_per_atom": -5.07421215875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.59369727,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.174772,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.469000Z",
"spacegroup": 123
},
{
"id": "mp-12185",
"created_at": "2022-09-04T14:41:14.690005Z",
"structure_string": "Li4 Cu4 P12 O36\n1.0\n8.262470 0.000000 0.000000\n0.000000 8.768784 0.000000\n0.000000 0.000000 8.919235\nLi Cu P O\n4 4 12 36\ndirect\n0.379270 0.083804 0.886847 Li\n0.879270 0.416196 0.113153 Li\n0.620730 0.583804 0.613153 Li\n0.120730 0.916196 0.386847 Li\n0.403268 0.861815 0.615044 Cu\n0.903268 0.638185 0.384956 Cu\n0.596732 0.361815 0.884956 Cu\n0.096732 0.138185 0.115044 Cu\n0.068340 0.940350 0.765516 P\n0.568340 0.559650 0.234484 P\n0.931660 0.440350 0.734484 P\n0.431660 0.059650 0.265516 P\n0.222381 0.425142 0.936160 P\n0.722381 0.074858 0.063840 P\n0.777619 0.925142 0.563840 P\n0.277619 0.574858 0.436160 P\n0.454323 0.681950 0.951186 P\n0.954323 0.818050 0.048814 P\n0.545677 0.181950 0.548814 P\n0.045677 0.318050 0.451186 P\n0.970645 0.303206 0.617760 O\n0.470645 0.196794 0.382240 O\n0.029355 0.803206 0.882240 O\n0.529355 0.696794 0.117760 O\n0.110621 0.476056 0.798175 O\n0.610621 0.023944 0.201825 O\n0.889379 0.976056 0.701825 O\n0.389379 0.523944 0.298175 O\n0.288966 0.587705 0.988753 O\n0.788966 0.912295 0.011247 O\n0.711034 0.087705 0.511247 O\n0.211034 0.412295 0.488753 O\n0.333703 0.122467 0.136051 O\n0.833703 0.377533 0.863949 O\n0.666297 0.622467 0.363949 O\n0.166297 0.877533 0.636051 O\n0.860276 0.172965 0.119256 O\n0.360276 0.327035 0.880744 O\n0.139724 0.672965 0.380744 O\n0.639724 0.827035 0.619256 O\n0.060881 0.917097 0.148680 O\n0.560881 0.582903 0.851320 O\n0.939119 0.417097 0.351320 O\n0.439119 0.082903 0.648680 O\n0.085757 0.162419 0.396397 O\n0.585757 0.337581 0.603603 O\n0.914243 0.662419 0.103603 O\n0.414243 0.837581 0.896397 O\n0.129926 0.074944 0.850593 O\n0.629926 0.425056 0.149407 O\n0.870074 0.574944 0.649407 O\n0.370074 0.925056 0.350593 O\n0.118636 0.360795 0.060810 O\n0.618636 0.139205 0.939190 O\n0.881364 0.860795 0.439190 O\n0.381364 0.639205 0.560810 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Li-O-P",
"density": 3.159658562784603,
"density_atomic": 0.08665849700345803,
"volume": 646.2147618111283,
"volume_molar": 6.949279030029441,
"formula_full": "Li4 Cu4 P12 O36",
"formula_reduced": "LiCu(PO3)3",
"formula_anonymous": "ABC3D9",
"energy": -401.7071477,
"energy_per_atom": -7.173341923214286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -376.9751477,
"band_gap": 0.6669,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0174265,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.834000Z",
"spacegroup": 19
},
{
"id": "mp-754842",
"created_at": "2022-09-04T14:41:14.690613Z",
"structure_string": "Li2 Fe2 Si2 O8\n1.0\n5.213015 0.000000 0.000000\n0.000000 5.084732 0.000000\n0.000000 5.049445 6.731599\nLi Fe Si O\n2 2 2 8\ndirect\n0.681088 0.508325 0.002959 Li\n0.318912 0.508325 0.502959 Li\n0.322115 0.009591 0.004943 Fe\n0.677885 0.009591 0.504943 Fe\n0.814623 0.761476 0.252785 Si\n0.185377 0.761476 0.752785 Si\n0.663993 0.841955 0.055874 O\n0.123735 0.714573 0.239406 O\n0.761678 0.069829 0.264315 O\n0.683396 0.429340 0.449912 O\n0.336007 0.841955 0.555874 O\n0.876265 0.714573 0.739406 O\n0.238322 0.069829 0.764315 O\n0.316604 0.429340 0.949912 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.882495169985566,
"density_atomic": 0.07846080439397157,
"volume": 178.4330419262904,
"volume_molar": 7.675349247965017,
"formula_full": "Li2 Fe2 Si2 O8",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy": -106.40831184,
"energy_per_atom": -7.600593702857142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.40031184,
"band_gap": 2.985,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 9.9999477,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.322000Z",
"spacegroup": 7
},
{
"id": "mp-971875",
"created_at": "2022-09-04T14:41:14.706588Z",
"structure_string": "U1 Ga1\n1.0\n1.463264 -2.534447 0.000000\n1.463264 2.534447 0.000000\n0.000000 0.000000 5.279443\nU Ga\n1 1\ndirect\n0.333333 0.666667 0.000000 U\n0.666667 0.333333 0.500000 Ga\n",
"nsites": 2,
"nelements": 2,
"elements": [
"U",
"Ga"
],
"chemical_system": "Ga-U",
"density": 13.050460956533248,
"density_atomic": 0.0510747198223966,
"volume": 39.158315639413196,
"volume_molar": 11.790844435252783,
"formula_full": "U1 Ga1",
"formula_reduced": "UGa",
"formula_anonymous": "AB",
"energy": -14.54701964,
"energy_per_atom": -7.27350982,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.54701964,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2093875,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.440000Z",
"spacegroup": 187
},
{
"id": "mp-1080018",
"created_at": "2022-09-04T14:41:14.714917Z",
"structure_string": "Th2 Co4 Sn4\n1.0\n4.460070 0.000000 0.000000\n0.000000 4.460070 0.000000\n0.000000 0.000000 9.982270\nTh Co Sn\n2 4 4\ndirect\n0.000000 0.500000 0.232909 Th\n0.500000 0.000000 0.767091 Th\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.626965 Co\n0.500000 0.000000 0.373035 Co\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.500000 0.874091 Sn\n0.500000 0.000000 0.125909 Sn\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Th",
"Co",
"Sn"
],
"chemical_system": "Co-Sn-Th",
"density": 9.823008309958844,
"density_atomic": 0.05036018741401346,
"volume": 198.5695549103011,
"volume_molar": 11.958138103203824,
"formula_full": "Th2 Co4 Sn4",
"formula_reduced": "Th(CoSn)2",
"formula_anonymous": "AB2C2",
"energy": -62.63901052,
"energy_per_atom": -6.263901052,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.63901052,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1472356,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:18.074000Z",
"spacegroup": 129
}
]
}