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=12165",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=12163",
"results": [
{
"id": "mp-763610",
"created_at": "2022-09-04T14:41:29.502059Z",
"structure_string": "Li4 Cr4 Si4 O16\n1.0\n4.773368 0.000001 -0.000047\n0.000002 5.778264 0.000001\n-0.000099 0.000001 10.193767\nLi Cr Si O\n4 4 4 16\ndirect\n0.000177 0.256258 0.500144 Li\n0.499821 0.256260 0.000144 Li\n0.500177 0.756258 0.999854 Li\n0.999820 0.756256 0.499855 Li\n0.499050 0.006620 0.731153 Cr\n0.999051 0.506583 0.768875 Cr\n0.000983 0.006589 0.231134 Cr\n0.500936 0.506642 0.268854 Cr\n0.059174 0.506612 0.091795 Si\n0.440845 0.506605 0.591792 Si\n0.559157 0.006603 0.408205 Si\n0.940818 0.006612 0.908207 Si\n0.189209 0.506491 0.943472 O\n0.310826 0.506492 0.443464 O\n0.689177 0.006493 0.556532 O\n0.810784 0.006485 0.056530 O\n0.220438 0.006511 0.399904 O\n0.279529 0.006510 0.899911 O\n0.720471 0.506511 0.100091 O\n0.779559 0.506509 0.600092 O\n0.220685 0.288971 0.171140 O\n0.220653 0.724251 0.171128 O\n0.279346 0.724247 0.671126 O\n0.279326 0.288983 0.671136 O\n0.720678 0.788979 0.328861 O\n0.720646 0.224251 0.328873 O\n0.779345 0.224255 0.828870 O\n0.779320 0.788965 0.828857 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-Li-O-Si",
"density": 3.5676901531175567,
"density_atomic": 0.09958662886352472,
"volume": 281.16224356154976,
"volume_molar": 6.047137882589487,
"formula_full": "Li4 Cr4 Si4 O16",
"formula_reduced": "LiCrSiO4",
"formula_anonymous": "ABCD4",
"energy": -224.56914054,
"energy_per_atom": -8.020326447857142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -205.58114054,
"band_gap": 2.5476,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.114000Z",
"spacegroup": 62
},
{
"id": "mp-1179957",
"created_at": "2022-09-04T14:41:29.544323Z",
"structure_string": "Pr2 Br6 O12\n1.0\n7.536664 0.000000 0.000000\n0.000000 6.450726 0.000000\n0.000000 3.023200 10.082173\nPr Br O\n2 6 12\ndirect\n0.636133 0.500000 0.250000 Pr\n0.363867 0.500000 0.750000 Pr\n0.348547 0.000000 0.250000 Br\n0.651453 0.000000 0.750000 Br\n0.281849 0.348558 0.468881 Br\n0.718151 0.651442 0.531119 Br\n0.281849 0.651442 0.031119 Br\n0.718151 0.348558 0.968881 Br\n0.905729 0.055912 0.289196 O\n0.094271 0.944088 0.710804 O\n0.905729 0.944088 0.210804 O\n0.094271 0.055912 0.789196 O\n0.811279 0.505349 0.421308 O\n0.188721 0.494651 0.578692 O\n0.811279 0.494651 0.078692 O\n0.188721 0.505349 0.921308 O\n0.484345 0.162794 0.316849 O\n0.515655 0.837206 0.683151 O\n0.484345 0.837206 0.183151 O\n0.515655 0.162794 0.816849 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pr",
"Br",
"O"
],
"chemical_system": "Br-O-Pr",
"density": 3.229281181523827,
"density_atomic": 0.04080262474475237,
"volume": 490.1645451760356,
"volume_molar": 14.759199433057328,
"formula_full": "Pr2 Br6 O12",
"formula_reduced": "Pr(BrO2)3",
"formula_anonymous": "AB3C6",
"energy": -93.01772651,
"energy_per_atom": -4.6508863255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.08572651,
"band_gap": 0.7632,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0005941,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.391000Z",
"spacegroup": 13
},
{
"id": "mp-505236",
"created_at": "2022-09-04T14:41:30.004515Z",
"structure_string": "V2 Hg1 P4 O14\n1.0\n4.951882 0.000000 0.000000\n-1.817659 6.731913 0.000000\n-0.581268 -0.589098 8.247636\nV Hg P O\n2 1 4 14\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 Hg\n0.013495 0.636631 0.256929 P\n0.986505 0.363369 0.743071 P\n0.618084 0.240197 0.195254 P\n0.381916 0.759803 0.804746 P\n0.780220 0.465523 0.153197 O\n0.219780 0.534477 0.846803 O\n0.534329 0.257873 0.371101 O\n0.465671 0.742127 0.628899 O\n0.244762 0.550304 0.323007 O\n0.755238 0.449696 0.676993 O\n0.848911 0.700112 0.401955 O\n0.172974 0.887807 0.809225 O\n0.827026 0.112193 0.190775 O\n0.889120 0.191662 0.845221 O\n0.110880 0.808338 0.154779 O\n0.626151 0.813926 0.933019 O\n0.373849 0.186074 0.066981 O\n0.151089 0.299888 0.598045 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"V",
"Hg",
"P",
"O"
],
"chemical_system": "Hg-O-P-V",
"density": 3.9279361292668926,
"density_atomic": 0.07638024150186747,
"volume": 274.940214734547,
"volume_molar": 7.8844222557908,
"formula_full": "V2 Hg1 P4 O14",
"formula_reduced": "V2Hg(P2O7)2",
"formula_anonymous": "AB2C4D14",
"energy": -162.34614376,
"energy_per_atom": -7.73076875047619,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.32814376,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0002484,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:22.417000Z",
"spacegroup": 2
},
{
"id": "mp-1226593",
"created_at": "2022-09-04T14:41:29.509248Z",
"structure_string": "Ce2 Y2 Ga4 Pd8\n1.0\n5.700787 0.000000 0.000000\n0.000000 7.132091 0.000000\n0.000000 0.000000 7.455427\nCe Y Ga Pd\n2 2 4 8\ndirect\n0.899199 0.500000 0.533966 Ce\n0.100801 0.500000 0.033966 Ce\n0.598958 0.000000 0.466412 Y\n0.401042 0.000000 0.966412 Y\n0.598943 0.500000 0.884627 Ga\n0.401057 0.500000 0.384627 Ga\n0.898939 0.000000 0.117779 Ga\n0.101061 0.000000 0.617779 Ga\n0.337331 0.697937 0.680921 Pd\n0.662669 0.302063 0.180921 Pd\n0.164055 0.198168 0.317687 Pd\n0.835945 0.801832 0.817687 Pd\n0.164055 0.801832 0.317687 Pd\n0.835945 0.198168 0.817687 Pd\n0.337331 0.302063 0.680921 Pd\n0.662669 0.697937 0.180921 Pd\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ce",
"Y",
"Ga",
"Pd"
],
"chemical_system": "Ce-Ga-Pd-Y",
"density": 8.700741080831307,
"density_atomic": 0.05278320657614371,
"volume": 303.1267146856417,
"volume_molar": 11.409198399708085,
"formula_full": "Ce2 Y2 Ga4 Pd8",
"formula_reduced": "CeY(GaPd2)2",
"formula_anonymous": "ABC2D4",
"energy": -92.03647606,
"energy_per_atom": -5.75227975375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.03647606,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9099531,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.777000Z",
"spacegroup": 26
},
{
"id": "mp-1235802",
"created_at": "2022-09-04T14:41:29.518425Z",
"structure_string": "Li1 Er2 Tl2 W4 O16\n1.0\n4.094686 5.227760 -3.421655\n4.406487 -5.555421 -3.544129\n0.058835 -0.089546 -7.490795\nLi Er Tl W O\n1 2 2 4 16\ndirect\n0.344846 0.628166 0.241373 Li\n0.256948 0.791875 0.736943 Er\n0.757382 0.199188 0.261001 Er\n0.795055 0.202910 0.740198 Tl\n0.144371 0.894630 0.235475 Tl\n0.294313 0.312175 0.702003 W\n0.712693 0.677812 0.290552 W\n0.697323 0.687924 0.793425 W\n0.316393 0.288691 0.204562 W\n0.384016 0.259641 0.923020 O\n0.628875 0.742624 0.062172 O\n0.757371 0.613169 0.565500 O\n0.232223 0.364915 0.452221 O\n0.625114 0.914826 0.631411 O\n0.400271 0.068833 0.365428 O\n0.040192 0.331435 0.889672 O\n0.967544 0.656062 0.109248 O\n0.400181 0.619898 0.530860 O\n0.606275 0.378236 0.449477 O\n0.371067 0.586721 0.977557 O\n0.642847 0.412866 0.029904 O\n0.245146 0.049415 0.790614 O\n0.778358 0.936138 0.210189 O\n0.970003 0.771637 0.697112 O\n0.031194 0.210213 0.306511 O\n",
"nsites": 25,
"nelements": 5,
"elements": [
"Li",
"Er",
"Tl",
"W",
"O"
],
"chemical_system": "Er-Li-O-Tl-W",
"density": 8.485810025043527,
"density_atomic": 0.0733570376071605,
"volume": 340.7989310293483,
"volume_molar": 8.20935653406507,
"formula_full": "Li1 Er2 Tl2 W4 O16",
"formula_reduced": "LiEr2Tl2(WO4)4",
"formula_anonymous": "AB2C2D4E16",
"energy": -208.04959638,
"energy_per_atom": -8.3219838552,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -179.30559638,
"band_gap": 1.9454,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9997187,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.167000Z",
"spacegroup": 1
},
{
"id": "mp-1097104",
"created_at": "2022-09-04T14:41:29.528404Z",
"structure_string": "Be2 Co1 Au1\n1.0\n-4.364154 5.128587 7.257874\n4.364154 -5.128587 7.257874\n4.364154 5.128587 -7.257874\nBe Co Au\n2 1 1\ndirect\n0.000000 0.244157 0.244157 Be\n0.000000 0.755843 0.755843 Be\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Co",
"Au"
],
"chemical_system": "Au-Be-Co",
"density": 0.7000227833505301,
"density_atomic": 0.006155917361176318,
"volume": 649.7813023330856,
"volume_molar": 97.82686164664896,
"formula_full": "Be2 Co1 Au1",
"formula_reduced": "Be2CoAu",
"formula_anonymous": "ABC2",
"energy": -9.87277949,
"energy_per_atom": -2.4681948725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.87277949,
"band_gap": 0.7319,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000966,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.077000Z",
"spacegroup": 71
},
{
"id": "mp-752454",
"created_at": "2022-09-04T14:41:29.541326Z",
"structure_string": "V6 O6 F6\n1.0\n3.109571 0.000000 0.000000\n0.000000 4.746768 0.000000\n0.000000 0.818658 14.211966\nV O F\n6 6 6\ndirect\n0.000000 0.953144 0.999421 V\n0.000000 0.993628 0.333342 V\n0.000000 0.017255 0.666794 V\n0.500000 0.480540 0.166756 V\n0.500000 0.505449 0.499841 V\n0.500000 0.550320 0.833367 V\n0.500000 0.797763 0.933782 O\n0.000000 0.682750 0.102378 O\n0.000000 0.717659 0.765400 O\n0.000000 0.700519 0.433648 O\n0.000000 0.286615 0.233128 O\n0.000000 0.309869 0.567018 O\n0.500000 0.793309 0.268946 F\n0.500000 0.816662 0.601878 F\n0.000000 0.302605 0.899068 F\n0.500000 0.185571 0.061743 F\n0.500000 0.193976 0.398367 F\n0.500000 0.212368 0.735125 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.081685444921864,
"density_atomic": 0.08580643563743899,
"volume": 209.77447514608397,
"volume_molar": 7.018285651026885,
"formula_full": "V6 O6 F6",
"formula_reduced": "VOF",
"formula_anonymous": "ABC",
"energy": -146.18752038,
"energy_per_atom": -8.12152891,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -129.09352038,
"band_gap": 0.6502000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9999982,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.011000Z",
"spacegroup": 6
},
{
"id": "mp-1643079",
"created_at": "2022-09-04T14:41:29.543115Z",
"structure_string": "Li8 Mn4 O8 F4\n1.0\n0.000002 0.000001 4.606584\n5.690833 -0.000024 0.000002\n-0.000039 8.710385 0.000002\nLi Mn O F\n8 4 8 4\ndirect\n0.739618 0.125807 0.427033 Li\n0.739710 0.125775 0.073061 Li\n0.239622 0.374190 0.572971 Li\n0.239712 0.374229 0.926944 Li\n0.760296 0.625792 0.073039 Li\n0.760396 0.625797 0.427010 Li\n0.260399 0.874210 0.572984 Li\n0.260317 0.874204 0.926957 Li\n0.250858 0.375818 0.250067 Mn\n0.249077 0.875836 0.250044 Mn\n0.750855 0.124194 0.749903 Mn\n0.749117 0.624168 0.749980 Mn\n0.254956 0.126165 0.097821 O\n0.254986 0.126179 0.402197 O\n0.754967 0.373840 0.902184 O\n0.754999 0.373801 0.597802 O\n0.245029 0.626131 0.097843 O\n0.245007 0.626112 0.402159 O\n0.745047 0.873878 0.597852 O\n0.745060 0.873834 0.902147 O\n0.250141 0.123696 0.749977 F\n0.750128 0.376317 0.250031 F\n0.249857 0.623736 0.749954 F\n0.749846 0.876293 0.250038 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.485268511130007,
"density_atomic": 0.10510395397817424,
"volume": 228.34535801558724,
"volume_molar": 5.729699532760253,
"formula_full": "Li8 Mn4 O8 F4",
"formula_reduced": "Li2MnO2F",
"formula_anonymous": "ABC2D2",
"energy": -158.15894623,
"energy_per_atom": -6.589956092916666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -144.14294623,
"band_gap": 2.1221,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0024124,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.964000Z",
"spacegroup": 71
},
{
"id": "mp-1226350",
"created_at": "2022-09-04T14:41:29.549042Z",
"structure_string": "Cr3 Te5\n1.0\n1.994538 -3.454641 0.000000\n1.994538 3.454641 0.000000\n0.000000 0.000000 14.825803\nCr Te\n3 5\ndirect\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.282225 Cr\n0.000000 0.000000 0.717775 Cr\n0.333333 0.666667 0.815866 Te\n0.333333 0.666667 0.392519 Te\n0.666667 0.333333 0.184134 Te\n0.666667 0.333333 0.607481 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"Te"
],
"chemical_system": "Cr-Te",
"density": 6.453120007440156,
"density_atomic": 0.039155838482160615,
"volume": 204.3118040658176,
"volume_molar": 15.379930537673673,
"formula_full": "Cr3 Te5",
"formula_reduced": "Cr3Te5",
"formula_anonymous": "A3B5",
"energy": -46.49418994,
"energy_per_atom": -5.8117737425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.38418994,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.9530625,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.788000Z",
"spacegroup": 164
},
{
"id": "mp-772095",
"created_at": "2022-09-04T14:41:29.549896Z",
"structure_string": "Li4 Fe2 Ni6 O16\n1.0\n2.842724 -4.923742 0.000000\n2.842724 4.923742 0.000000\n0.000000 0.000000 9.095883\nLi Fe Ni O\n4 2 6 16\ndirect\n0.333333 0.666667 0.894437 Li\n0.000000 0.000000 0.995957 Li\n0.000000 0.000000 0.495957 Li\n0.666667 0.333333 0.394437 Li\n0.333333 0.666667 0.491140 Fe\n0.666667 0.333333 0.991140 Fe\n0.170238 0.829762 0.213470 Ni\n0.170238 0.340477 0.213470 Ni\n0.659523 0.829762 0.213470 Ni\n0.340477 0.170238 0.713470 Ni\n0.829762 0.659523 0.713470 Ni\n0.829762 0.170238 0.713470 Ni\n0.167920 0.832080 0.591987 O\n0.042447 0.521223 0.346674 O\n0.333333 0.666667 0.111650 O\n0.000000 0.000000 0.304299 O\n0.000000 0.000000 0.804299 O\n0.167920 0.335839 0.591987 O\n0.478777 0.957553 0.346674 O\n0.478777 0.521223 0.346674 O\n0.335839 0.167920 0.091987 O\n0.664161 0.832080 0.591987 O\n0.521223 0.478777 0.846674 O\n0.521223 0.042447 0.846674 O\n0.666667 0.333333 0.611650 O\n0.832080 0.664161 0.091987 O\n0.957553 0.478777 0.846674 O\n0.832080 0.167920 0.091987 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Li-Ni-O",
"density": 4.8754682572898655,
"density_atomic": 0.10996467271756706,
"volume": 254.6272298915045,
"volume_molar": 5.476432213341141,
"formula_full": "Li4 Fe2 Ni6 O16",
"formula_reduced": "Li2FeNi3O8",
"formula_anonymous": "AB2C3D8",
"energy": -173.75089186,
"energy_per_atom": -6.205388995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.00089186,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.000022,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.129000Z",
"spacegroup": 186
},
{
"id": "mp-779989",
"created_at": "2022-09-04T14:41:29.552368Z",
"structure_string": "Gd8 P16 O52\n1.0\n9.856570 0.000000 0.000000\n0.000000 8.881127 0.000000\n0.000000 3.769709 13.701491\nGd P O\n8 16 52\ndirect\n0.999142 0.718210 0.991330 Gd\n0.993888 0.782782 0.513710 Gd\n0.500858 0.718210 0.491330 Gd\n0.506112 0.782782 0.013710 Gd\n0.493888 0.217218 0.986290 Gd\n0.499142 0.281790 0.508670 Gd\n0.006112 0.217218 0.486290 Gd\n0.000858 0.281790 0.008670 Gd\n0.721605 0.971750 0.596570 P\n0.754306 0.890273 0.812654 P\n0.267429 0.767255 0.686145 P\n0.778395 0.971750 0.096570 P\n0.745694 0.890273 0.312654 P\n0.279262 0.542233 0.899639 P\n0.232571 0.767255 0.186145 P\n0.779262 0.457767 0.600361 P\n0.220738 0.542233 0.399639 P\n0.767429 0.232745 0.813855 P\n0.720738 0.457767 0.100361 P\n0.254306 0.109727 0.687346 P\n0.221605 0.028250 0.903430 P\n0.732571 0.232745 0.313855 P\n0.245694 0.109727 0.187346 P\n0.278395 0.028250 0.403430 P\n0.305105 0.929946 0.710640 O\n0.156451 0.874532 0.901043 O\n0.871241 0.989589 0.561403 O\n0.626168 0.865101 0.871866 O\n0.723734 0.864186 0.708254 O\n0.640256 0.879534 0.540436 O\n0.871660 0.784710 0.854192 O\n0.194895 0.929946 0.210640 O\n0.343549 0.874532 0.401043 O\n0.628759 0.989589 0.061403 O\n0.366039 0.631969 0.954826 O\n0.126054 0.773770 0.645110 O\n0.873832 0.865101 0.371866 O\n0.776266 0.864186 0.208254 O\n0.379207 0.728467 0.624687 O\n0.270124 0.642529 0.787860 O\n0.859744 0.879534 0.040436 O\n0.843211 0.612301 0.602787 O\n0.130159 0.520411 0.938131 O\n0.628340 0.784710 0.354192 O\n0.133961 0.631969 0.454826 O\n0.373946 0.773770 0.145110 O\n0.120793 0.728467 0.124687 O\n0.229876 0.642529 0.287860 O\n0.630159 0.479589 0.561869 O\n0.343211 0.387699 0.897213 O\n0.656789 0.612301 0.102787 O\n0.369841 0.520411 0.438131 O\n0.770124 0.357471 0.712140 O\n0.879207 0.271533 0.875313 O\n0.626054 0.226230 0.854890 O\n0.866039 0.368031 0.545174 O\n0.371660 0.215290 0.645808 O\n0.869841 0.479589 0.061869 O\n0.156789 0.387699 0.397213 O\n0.140256 0.120466 0.959564 O\n0.729876 0.357471 0.212140 O\n0.620793 0.271533 0.375313 O\n0.223734 0.135814 0.791746 O\n0.126168 0.134899 0.628134 O\n0.873946 0.226230 0.354890 O\n0.633961 0.368031 0.045174 O\n0.371241 0.010411 0.938597 O\n0.656451 0.125468 0.598957 O\n0.805105 0.070054 0.789360 O\n0.128340 0.215290 0.145808 O\n0.359744 0.120466 0.459564 O\n0.276266 0.135814 0.291746 O\n0.373832 0.134899 0.128134 O\n0.128759 0.010411 0.438597 O\n0.843549 0.125468 0.098957 O\n0.694895 0.070054 0.289360 O\n",
"nsites": 76,
"nelements": 3,
"elements": [
"Gd",
"P",
"O"
],
"chemical_system": "Gd-O-P",
"density": 3.5796465578151424,
"density_atomic": 0.06336535487215816,
"volume": 1199.393582713025,
"volume_molar": 9.503838133866498,
"formula_full": "Gd8 P16 O52",
"formula_reduced": "Gd2P4O13",
"formula_anonymous": "A2B4C13",
"energy": -693.4628693000001,
"energy_per_atom": -9.124511438157896,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -657.7388693,
"band_gap": 3.3476,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 56.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.918000Z",
"spacegroup": 14
},
{
"id": "mp-1028072",
"created_at": "2022-09-04T14:41:30.140382Z",
"structure_string": "Ce1 Mg14 Zn1\n1.0\n6.492056 -0.000000 -0.000000\n-3.246028 5.622285 0.000000\n-0.000000 -0.000000 10.235266\nCe Mg Zn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Ce\n0.162487 0.831243 0.125000 Mg\n0.182295 0.841147 0.625000 Mg\n0.668757 0.337513 0.125000 Mg\n0.658853 0.317705 0.625000 Mg\n0.668757 0.831243 0.125000 Mg\n0.658853 0.841147 0.625000 Mg\n0.331790 0.168210 0.363479 Mg\n0.331790 0.168210 0.886521 Mg\n0.331790 0.663582 0.363479 Mg\n0.331790 0.663582 0.886521 Mg\n0.836418 0.168210 0.363479 Mg\n0.836418 0.168210 0.886521 Mg\n0.833333 0.666667 0.383600 Mg\n0.833333 0.666667 0.866400 Mg\n0.166667 0.333333 0.125000 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Zn"
],
"chemical_system": "Ce-Mg-Zn",
"density": 2.4259642819404297,
"density_atomic": 0.042827796926322374,
"volume": 373.58914416086265,
"volume_molar": 14.061290078404044,
"formula_full": "Ce1 Mg14 Zn1",
"formula_reduced": "CeMg14Zn",
"formula_anonymous": "ABC14",
"energy": -29.00439699,
"energy_per_atom": -1.812774811875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.00439699,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0956189,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.770000Z",
"spacegroup": 187
}
]
}