GET /third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=92
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=93",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=91",
    "results": [
        {
            "id": "mp-1187728",
            "created_at": "2022-09-04T14:40:25.857772Z",
            "structure_string": "V2 I2\n1.0\n2.090576 -3.620983 0.000000\n2.090576 3.620983 0.000000\n0.000000 0.000000 8.460864\nV I\n2 2\ndirect\n0.666667 0.333333 0.852434 V\n0.333333 0.666667 0.352434 V\n0.666667 0.333333 0.522565 I\n0.333333 0.666667 0.022565 I\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "V",
                "I"
            ],
            "chemical_system": "I-V",
            "density": 4.6109027819813235,
            "density_atomic": 0.03122646590570816,
            "volume": 128.0964682996293,
            "volume_molar": 19.28537407398114,
            "formula_full": "V2 I2",
            "formula_reduced": "VI",
            "formula_anonymous": "AB",
            "energy": -19.8218194,
            "energy_per_atom": -4.95545485,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -19.0638194,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.0007384,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:49.754000Z",
            "spacegroup": 186
        },
        {
            "id": "mp-1219677",
            "created_at": "2022-09-04T14:39:07.671612Z",
            "structure_string": "Si18 C20 N2 O36\n1.0\n6.647233 8.471366 0.000000\n-6.647233 8.471366 0.000000\n0.000000 3.267368 10.220427\nSi C N O\n18 20 2 36\ndirect\n0.739412 0.500360 0.260306 Si\n0.259526 0.739973 0.499992 Si\n0.499663 0.260061 0.739869 Si\n0.500360 0.739412 0.260306 Si\n0.260061 0.499663 0.739869 Si\n0.739973 0.259526 0.499992 Si\n0.930162 0.698032 0.164516 Si\n0.163619 0.931012 0.698141 Si\n0.697964 0.164592 0.930852 Si\n0.698032 0.930162 0.164516 Si\n0.164592 0.697964 0.930852 Si\n0.931012 0.163619 0.698141 Si\n0.069788 0.301295 0.836510 Si\n0.835646 0.068810 0.302178 Si\n0.302259 0.835024 0.069553 Si\n0.301295 0.069788 0.836510 Si\n0.835024 0.302259 0.069553 Si\n0.068810 0.835646 0.302178 Si\n0.761242 0.761242 0.797282 C\n0.240594 0.240594 0.200298 C\n0.847597 0.743065 0.671882 C\n0.743065 0.847597 0.671882 C\n0.686259 0.686259 0.885097 C\n0.149174 0.261883 0.325816 C\n0.261883 0.149174 0.325816 C\n0.317197 0.317197 0.113434 C\n0.853522 0.614467 0.630893 C\n0.614467 0.853522 0.630893 C\n0.634074 0.634074 0.799850 C\n0.178180 0.366895 0.365963 C\n0.366895 0.178180 0.365963 C\n0.365108 0.365108 0.193151 C\n0.712650 0.591145 0.679714 C\n0.627920 0.627920 0.583500 C\n0.591145 0.712650 0.679714 C\n0.275401 0.434398 0.301700 C\n0.322698 0.322698 0.412267 C\n0.434398 0.275401 0.301700 C\n0.943487 0.543915 0.568524 N\n0.543915 0.943487 0.568524 N\n0.039823 0.657419 0.039850 O\n0.038421 0.038421 0.657083 O\n0.657419 0.039823 0.039850 O\n0.959883 0.342671 0.960469 O\n0.960387 0.960387 0.342437 O\n0.342671 0.959883 0.960469 O\n0.738135 0.396120 0.396754 O\n0.396120 0.738135 0.396754 O\n0.398070 0.398070 0.737317 O\n0.262311 0.601651 0.601719 O\n0.601651 0.262311 0.601719 O\n0.601559 0.601559 0.261255 O\n0.998869 0.732787 0.268148 O\n0.265123 0.001603 0.733408 O\n0.731284 0.269060 0.999606 O\n0.732787 0.998869 0.268148 O\n0.269060 0.731284 0.999606 O\n0.001603 0.265123 0.733408 O\n0.859332 0.576147 0.237816 O\n0.238483 0.858284 0.577716 O\n0.577003 0.238581 0.858812 O\n0.576147 0.859332 0.237816 O\n0.238581 0.577003 0.858812 O\n0.858284 0.238483 0.577716 O\n0.140626 0.423298 0.763526 O\n0.762737 0.138823 0.425035 O\n0.423882 0.761793 0.140315 O\n0.423298 0.140626 0.763526 O\n0.761793 0.423882 0.140315 O\n0.138823 0.762737 0.425035 O\n0.824776 0.824776 0.111515 O\n0.111661 0.825228 0.825822 O\n0.825228 0.111661 0.825822 O\n0.175447 0.175447 0.890296 O\n0.887057 0.174663 0.174638 O\n0.174663 0.887057 0.174638 O\n",
            "nsites": 76,
            "nelements": 4,
            "elements": [
                "Si",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "C-N-O-Si",
            "density": 1.9471857230963698,
            "density_atomic": 0.06602679373867418,
            "volume": 1151.0478655195425,
            "volume_molar": 9.120752983758205,
            "formula_full": "Si18 C20 N2 O36",
            "formula_reduced": "Si9C10NO18",
            "formula_anonymous": "AB9C10D18",
            "energy": -610.2455233799999,
            "energy_per_atom": -8.029546360263156,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -584.79152338,
            "band_gap": 0.0077,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.063128,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:32.410000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-766406",
            "created_at": "2022-09-04T14:39:06.911139Z",
            "structure_string": "Li12 V4 Si12 O36\n1.0\n5.375572 0.000000 0.000000\n0.000000 11.799326 0.000000\n0.000000 0.000000 12.739113\nLi V Si O\n12 4 12 36\ndirect\n0.829218 0.937667 0.000000 Li\n0.180287 0.602600 0.000000 Li\n0.841159 0.141806 0.000000 Li\n0.326263 0.400630 0.000000 Li\n0.326559 0.833513 0.753603 Li\n0.673441 0.333513 0.746397 Li\n0.170782 0.437667 0.500000 Li\n0.673737 0.900630 0.500000 Li\n0.158841 0.641806 0.500000 Li\n0.819713 0.102600 0.500000 Li\n0.673441 0.333513 0.253603 Li\n0.326559 0.833513 0.246397 Li\n0.873404 0.044321 0.773566 V\n0.126596 0.544321 0.726434 V\n0.126596 0.544321 0.273566 V\n0.873404 0.044321 0.226434 V\n0.350616 0.164164 0.886711 Si\n0.639631 0.537463 0.883034 Si\n0.836883 0.762939 0.811147 Si\n0.163117 0.262939 0.688853 Si\n0.360369 0.037463 0.616966 Si\n0.649384 0.664164 0.613289 Si\n0.649384 0.664164 0.386711 Si\n0.360369 0.037463 0.383034 Si\n0.163117 0.262939 0.311147 Si\n0.836883 0.762939 0.188853 Si\n0.639631 0.537463 0.116966 Si\n0.350616 0.164164 0.113289 Si\n0.724724 0.484816 0.000000 O\n0.364210 0.238901 0.000000 O\n0.089918 0.096138 0.890683 O\n0.604718 0.093856 0.878130 O\n0.692288 0.674893 0.891666 O\n0.340151 0.513556 0.873920 O\n0.813024 0.476728 0.796024 O\n0.344515 0.265837 0.796247 O\n0.837098 0.890056 0.855914 O\n0.108655 0.708965 0.786839 O\n0.891345 0.208965 0.713161 O\n0.162902 0.390056 0.644086 O\n0.655485 0.765837 0.703753 O\n0.186976 0.976728 0.703976 O\n0.659849 0.013556 0.626080 O\n0.307712 0.174893 0.608334 O\n0.395282 0.593856 0.621870 O\n0.910082 0.596138 0.609317 O\n0.635790 0.738901 0.500000 O\n0.275276 0.984816 0.500000 O\n0.910082 0.596138 0.390683 O\n0.395282 0.593856 0.378130 O\n0.307712 0.174893 0.391666 O\n0.659849 0.013556 0.373920 O\n0.186976 0.976728 0.296024 O\n0.655485 0.765837 0.296247 O\n0.162902 0.390056 0.355914 O\n0.891345 0.208965 0.286839 O\n0.108655 0.708965 0.213161 O\n0.837098 0.890056 0.144086 O\n0.344515 0.265837 0.203753 O\n0.813024 0.476728 0.203976 O\n0.340151 0.513556 0.126080 O\n0.692288 0.674893 0.108334 O\n0.604718 0.093856 0.121870 O\n0.089918 0.096138 0.109317 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Li",
                "V",
                "Si",
                "O"
            ],
            "chemical_system": "Li-O-Si-V",
            "density": 2.4662202128085826,
            "density_atomic": 0.07920614939662043,
            "volume": 808.0180704091993,
            "volume_molar": 7.60312274473092,
            "formula_full": "Li12 V4 Si12 O36",
            "formula_reduced": "Li3V(SiO3)3",
            "formula_anonymous": "AB3C3D9",
            "energy": -484.55685052,
            "energy_per_atom": -7.571200789375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -453.02485052,
            "band_gap": 1.9627,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 7.99998,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:41.444000Z",
            "spacegroup": 31
        },
        {
            "id": "mp-1182699",
            "created_at": "2022-09-04T14:39:11.749121Z",
            "structure_string": "Co8 C4 N36 Cl16 O24\n1.0\n9.970602 0.000000 0.000000\n0.000000 11.464298 0.000000\n0.000000 0.000000 18.090634\nCo C N Cl O\n8 4 36 16 24\ndirect\n0.660907 0.033449 0.115069 Co\n0.160907 0.466551 0.384931 Co\n0.339093 0.966551 0.615069 Co\n0.839093 0.533449 0.884931 Co\n0.339093 0.966551 0.884931 Co\n0.839093 0.533449 0.615069 Co\n0.660907 0.033449 0.384931 Co\n0.160907 0.466551 0.115069 Co\n0.581532 0.710197 0.250000 C\n0.081532 0.789803 0.250000 C\n0.418468 0.289803 0.750000 C\n0.918468 0.210197 0.750000 C\n0.784262 0.980038 0.250000 N\n0.284262 0.519962 0.250000 N\n0.215738 0.019962 0.750000 N\n0.715738 0.480038 0.750000 N\n0.791444 0.976972 0.184684 N\n0.291444 0.523028 0.315316 N\n0.208556 0.023028 0.684684 N\n0.708556 0.476972 0.815316 N\n0.208556 0.023028 0.815316 N\n0.708556 0.476972 0.684684 N\n0.791444 0.976972 0.315316 N\n0.291444 0.523028 0.184684 N\n0.524588 0.084783 0.171735 N\n0.024588 0.415217 0.328265 N\n0.475412 0.915217 0.671735 N\n0.975412 0.584783 0.828265 N\n0.475412 0.915217 0.828265 N\n0.975412 0.584783 0.671735 N\n0.524588 0.084783 0.328265 N\n0.024588 0.415217 0.171735 N\n0.707466 0.157418 0.068656 N\n0.207466 0.342582 0.431344 N\n0.292534 0.842582 0.568656 N\n0.792534 0.657418 0.931344 N\n0.292534 0.842582 0.931344 N\n0.792534 0.657418 0.568656 N\n0.707466 0.157418 0.431344 N\n0.207466 0.342582 0.068656 N\n0.614093 0.931771 0.064473 N\n0.114093 0.568229 0.435527 N\n0.385907 0.068229 0.564473 N\n0.885907 0.431771 0.935527 N\n0.385907 0.068229 0.935527 N\n0.885907 0.431771 0.564473 N\n0.614093 0.931771 0.435527 N\n0.114093 0.568229 0.064473 N\n0.560064 0.275583 0.250000 Cl\n0.060064 0.224417 0.250000 Cl\n0.439936 0.724417 0.750000 Cl\n0.939936 0.775583 0.750000 Cl\n0.475454 0.013963 0.250000 Cl\n0.975454 0.486037 0.250000 Cl\n0.524546 0.986037 0.750000 Cl\n0.024546 0.513963 0.750000 Cl\n0.178155 0.296799 0.986162 Cl\n0.678155 0.203201 0.513838 Cl\n0.821845 0.703201 0.486162 Cl\n0.321845 0.796799 0.013838 Cl\n0.821845 0.703201 0.013838 Cl\n0.321845 0.796799 0.486162 Cl\n0.178155 0.296799 0.513838 Cl\n0.678155 0.203201 0.986162 Cl\n0.581511 0.710784 0.185011 O\n0.081511 0.789216 0.314989 O\n0.418489 0.289216 0.685011 O\n0.918489 0.210784 0.814989 O\n0.418489 0.289216 0.814989 O\n0.918489 0.210784 0.685011 O\n0.581511 0.710784 0.314989 O\n0.081511 0.789216 0.185011 O\n0.655410 0.450925 0.106740 O\n0.155410 0.049075 0.393260 O\n0.344590 0.549075 0.606740 O\n0.844590 0.950925 0.893260 O\n0.344590 0.549075 0.893260 O\n0.844590 0.950925 0.606740 O\n0.655410 0.450925 0.393260 O\n0.155410 0.049075 0.106740 O\n0.547269 0.455821 0.074043 O\n0.047269 0.044179 0.425957 O\n0.452731 0.544179 0.574043 O\n0.952731 0.955821 0.925957 O\n0.452731 0.544179 0.925957 O\n0.952731 0.955821 0.574043 O\n0.547269 0.455821 0.425957 O\n0.047269 0.044179 0.074043 O\n",
            "nsites": 88,
            "nelements": 5,
            "elements": [
                "Co",
                "C",
                "N",
                "Cl",
                "O"
            ],
            "chemical_system": "C-Cl-Co-N-O",
            "density": 1.585951346059669,
            "density_atomic": 0.04255592527710137,
            "volume": 2067.867151918121,
            "volume_molar": 14.151121661171853,
            "formula_full": "Co8 C4 N36 Cl16 O24",
            "formula_reduced": "Co2CN9(Cl2O3)2",
            "formula_anonymous": "AB2C4D6E9",
            "energy": -487.95003747,
            "energy_per_atom": -5.544886789431818,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -461.15803747000007,
            "band_gap": 0.3049999999999999,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 28.2571215,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:37.405000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1095913",
            "created_at": "2022-09-04T14:39:10.270535Z",
            "structure_string": "Li1 La1 In2\n1.0\n-5.967362 6.377621 9.012363\n5.967362 -6.377621 9.012363\n5.967362 6.377621 -9.012363\nLi La In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 La\n0.000000 0.237042 0.237042 In\n0.000000 0.762958 0.762958 In\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Li",
                "La",
                "In"
            ],
            "chemical_system": "In-La-Li",
            "density": 0.4544634958501487,
            "density_atomic": 0.002915548247285223,
            "volume": 1371.9546585190456,
            "volume_molar": 206.55260174848564,
            "formula_full": "Li1 La1 In2",
            "formula_reduced": "LiLaIn2",
            "formula_anonymous": "ABC2",
            "energy": -6.43087594,
            "energy_per_atom": -1.607718985,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -6.43087594,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.0000172,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:39.823000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-1222081",
            "created_at": "2022-09-04T14:39:07.677245Z",
            "structure_string": "Mn4 In4 Cu4\n1.0\n2.565842 -4.589276 0.000000\n2.565842 4.589276 0.000000\n0.000000 0.000000 7.895659\nMn In Cu\n4 4 4\ndirect\n0.829565 0.170435 0.000000 Mn\n0.170661 0.336449 0.500000 Mn\n0.663551 0.829339 0.500000 Mn\n0.169229 0.830771 0.500000 Mn\n0.334352 0.665648 0.183734 In\n0.667546 0.332454 0.308881 In\n0.667546 0.332454 0.691119 In\n0.334352 0.665648 0.816266 In\n0.996955 0.003045 0.245945 Cu\n0.996955 0.003045 0.754055 Cu\n0.831053 0.662634 0.000000 Cu\n0.337366 0.168947 0.000000 Cu\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Mn",
                "In",
                "Cu"
            ],
            "chemical_system": "Cu-In-Mn",
            "density": 8.333648300872374,
            "density_atomic": 0.0645340290045871,
            "volume": 185.94840869376117,
            "volume_molar": 9.331729093765311,
            "formula_full": "Mn4 In4 Cu4",
            "formula_reduced": "MnInCu",
            "formula_anonymous": "ABC",
            "energy": -61.60054038999999,
            "energy_per_atom": -5.133378365833333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -61.60054038999999,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.96435,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:31.852000Z",
            "spacegroup": 38
        },
        {
            "id": "mp-1120753",
            "created_at": "2022-09-04T14:39:10.276966Z",
            "structure_string": "Cs1 Fe4 As3\n1.0\n3.869689 0.000000 0.000000\n0.000000 3.869689 0.000000\n0.000000 0.000000 10.165783\nCs Fe As\n1 4 3\ndirect\n0.000000 0.000000 0.500000 Cs\n0.500000 0.000000 0.867142 Fe\n0.000000 0.500000 0.867142 Fe\n0.500000 0.000000 0.132858 Fe\n0.000000 0.500000 0.132858 Fe\n0.500000 0.500000 0.741819 As\n0.500000 0.500000 0.258181 As\n0.000000 0.000000 0.000000 As\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Cs",
                "Fe",
                "As"
            ],
            "chemical_system": "As-Cs-Fe",
            "density": 6.338256790842048,
            "density_atomic": 0.05255294110050434,
            "volume": 152.22744593305407,
            "volume_molar": 11.459188836801765,
            "formula_full": "Cs1 Fe4 As3",
            "formula_reduced": "CsFe4As3",
            "formula_anonymous": "AB3C4",
            "energy": -49.40938176,
            "energy_per_atom": -6.17617272,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -49.40938176,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.7702508,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:42.710000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-729583",
            "created_at": "2022-09-04T14:39:10.288203Z",
            "structure_string": "Li8 W2 O10\n1.0\n5.157526 0.000000 0.000000\n-1.020412 5.087470 0.000000\n-1.586235 -2.868952 7.147265\nLi W O\n8 2 10\ndirect\n0.915491 0.605973 0.390649 Li\n0.581096 0.397055 0.098681 Li\n0.177557 0.801767 0.696116 Li\n0.500000 0.000000 0.000000 Li\n0.418904 0.602945 0.901319 Li\n0.822443 0.198233 0.303884 Li\n0.084509 0.394027 0.609351 Li\n0.000000 0.000000 0.500000 Li\n0.323690 0.216568 0.783717 W\n0.676310 0.783432 0.216283 W\n0.381557 0.897197 0.334941 O\n0.279748 0.511367 0.249318 O\n0.720252 0.488633 0.750682 O\n0.117398 0.081190 0.154629 O\n0.618443 0.102803 0.665059 O\n0.048026 0.742550 0.041559 O\n0.477970 0.331943 0.427990 O\n0.951974 0.257450 0.958441 O\n0.882602 0.918810 0.845371 O\n0.522030 0.668057 0.572010 O\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Li",
                "W",
                "O"
            ],
            "chemical_system": "Li-O-W",
            "density": 5.163984500195917,
            "density_atomic": 0.10664655317843542,
            "volume": 187.5353624091071,
            "volume_molar": 5.646821749526279,
            "formula_full": "Li8 W2 O10",
            "formula_reduced": "Li4WO5",
            "formula_anonymous": "AB4C5",
            "energy": -66.52140484,
            "energy_per_atom": -3.326070242,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -52.99540483999999,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.6103215,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:34.137000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1278779",
            "created_at": "2022-09-04T14:39:11.785741Z",
            "structure_string": "Sr8 Nb4 Co4 O24\n1.0\n-4.020003 4.020299 -0.000252\n-8.034093 -8.034739 -0.000159\n0.000363 -0.000247 7.970281\nSr Nb Co O\n8 4 4 24\ndirect\n0.999822 0.498523 0.000669 Sr\n0.499801 0.751431 0.500524 Sr\n0.003264 0.001975 0.999563 Sr\n0.503475 0.247995 0.499569 Sr\n0.999770 0.498516 0.499249 Sr\n0.499777 0.751417 0.999365 Sr\n0.003276 0.001983 0.500371 Sr\n0.503470 0.248006 0.000385 Sr\n0.501362 0.500321 0.249939 Nb\n0.001742 0.749574 0.749928 Nb\n0.502043 0.998560 0.250002 Nb\n0.001594 0.251450 0.750009 Nb\n0.501659 0.499219 0.749934 Co\n0.001851 0.750754 0.249916 Co\n0.501893 0.001688 0.750003 Co\n0.001956 0.248186 0.250011 Co\n0.503355 0.500641 0.505352 O\n0.003948 0.749537 0.005356 O\n0.492096 0.000053 0.498950 O\n0.991285 0.249976 0.998983 O\n0.503880 0.500527 0.994680 O\n0.004362 0.749363 0.494690 O\n0.491871 0.999953 0.001078 O\n0.991135 0.249915 0.501050 O\n0.755739 0.374322 0.250065 O\n0.253842 0.627898 0.750227 O\n0.746634 0.875442 0.250100 O\n0.239689 0.123521 0.749987 O\n0.256781 0.624047 0.249853 O\n0.757607 0.874385 0.749953 O\n0.240692 0.129031 0.250026 O\n0.744923 0.372008 0.749953 O\n0.256546 0.375752 0.250082 O\n0.757771 0.625675 0.750003 O\n0.245844 0.877845 0.250112 O\n0.739674 0.121255 0.750174 O\n0.752882 0.622366 0.250069 O\n0.256827 0.875548 0.749939 O\n0.740326 0.126491 0.249895 O\n0.245538 0.374848 0.749985 O\n",
            "nsites": 40,
            "nelements": 4,
            "elements": [
                "Sr",
                "Nb",
                "Co",
                "O"
            ],
            "chemical_system": "Co-Nb-O-Sr",
            "density": 5.457919744358883,
            "density_atomic": 0.07768902729272446,
            "volume": 514.8732246226228,
            "volume_molar": 7.751597580581332,
            "formula_full": "Sr8 Nb4 Co4 O24",
            "formula_reduced": "Sr2NbCoO6",
            "formula_anonymous": "ABC2D6",
            "energy": -312.23432935,
            "energy_per_atom": -7.8058582337499995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -289.19432935,
            "band_gap": 1.3491,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 0.2779914,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:36.970000Z",
            "spacegroup": 31
        },
        {
            "id": "mp-1112273",
            "created_at": "2022-09-04T14:39:11.790330Z",
            "structure_string": "Cs2 Cu1 Mo1 Br6\n1.0\n0.000000 5.384580 5.384580\n5.384580 0.000000 5.384580\n5.384580 5.384580 0.000000\nCs Cu Mo Br\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Mo\n0.246471 0.246471 0.753529 Br\n0.246471 0.753529 0.753529 Br\n0.753529 0.753529 0.246471 Br\n0.246471 0.753529 0.246471 Br\n0.753529 0.246471 0.753529 Br\n0.753529 0.246471 0.246471 Br\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Cs",
                "Cu",
                "Mo",
                "Br"
            ],
            "chemical_system": "Br-Cs-Cu-Mo",
            "density": 4.811474909662854,
            "density_atomic": 0.03202687044978088,
            "volume": 312.23781342233576,
            "volume_molar": 18.80340063023923,
            "formula_full": "Cs2 Cu1 Mo1 Br6",
            "formula_reduced": "Cs2CuMoBr6",
            "formula_anonymous": "ABC2D6",
            "energy": -39.27109584,
            "energy_per_atom": -3.927109584,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -36.06709584,
            "band_gap": 0.3988999999999998,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 2.9997256,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:37.624000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1044485",
            "created_at": "2022-09-04T14:39:06.914244Z",
            "structure_string": "Pr2 Ti4 Zn2 O12\n1.0\n5.380510 0.000000 0.000000\n0.000000 5.640589 0.000000\n0.000000 0.000000 7.719763\nPr Ti Zn O\n2 4 2 12\ndirect\n0.014623 0.690084 0.000000 Pr\n0.514623 0.309916 0.500000 Pr\n0.004154 0.226868 0.748370 Ti\n0.004154 0.226868 0.251630 Ti\n0.504154 0.773132 0.248370 Ti\n0.504154 0.773132 0.751630 Ti\n0.506271 0.295721 0.000000 Zn\n0.006271 0.704279 0.500000 Zn\n0.078350 0.234012 0.500000 O\n0.203180 0.957755 0.797058 O\n0.203180 0.957755 0.202942 O\n0.306234 0.443118 0.194848 O\n0.306234 0.443118 0.805152 O\n0.373379 0.727366 0.500000 O\n0.578350 0.765988 0.000000 O\n0.703180 0.042245 0.702942 O\n0.703180 0.042245 0.297058 O\n0.806234 0.556882 0.694848 O\n0.806234 0.556882 0.305152 O\n0.873379 0.272634 0.000000 O\n",
            "nsites": 20,
            "nelements": 4,
            "elements": [
                "Pr",
                "Ti",
                "Zn",
                "O"
            ],
            "chemical_system": "O-Pr-Ti-Zn",
            "density": 5.642370967720281,
            "density_atomic": 0.08536466279423859,
            "volume": 234.2889826462225,
            "volume_molar": 7.054606160063747,
            "formula_full": "Pr2 Ti4 Zn2 O12",
            "formula_reduced": "PrTi2ZnO6",
            "formula_anonymous": "ABC2D6",
            "energy": -165.98380523,
            "energy_per_atom": -8.2991902615,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -157.73980523,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.005638,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:33.853000Z",
            "spacegroup": 31
        },
        {
            "id": "mp-622785",
            "created_at": "2022-09-04T14:39:22.131477Z",
            "structure_string": "Fe16 S16 N16 O16\n1.0\n10.435039 0.000000 0.000000\n0.000000 11.217004 0.000000\n0.000000 8.058805 12.996840\nFe S N O\n16 16 16 16\ndirect\n0.086054 0.216055 0.544186 Fe\n0.650967 0.752662 0.385782 Fe\n0.819837 0.728771 0.091548 Fe\n0.680163 0.728771 0.591548 Fe\n0.913946 0.783945 0.455814 Fe\n0.212444 0.989615 0.106506 Fe\n0.849033 0.752662 0.885782 Fe\n0.586054 0.783945 0.955814 Fe\n0.413946 0.216055 0.044186 Fe\n0.712444 0.010385 0.393494 Fe\n0.150967 0.247338 0.114218 Fe\n0.180163 0.271229 0.908452 Fe\n0.349033 0.247338 0.614218 Fe\n0.319837 0.271229 0.408452 Fe\n0.787556 0.010385 0.893494 Fe\n0.287556 0.989615 0.606506 Fe\n0.228415 0.411607 0.467046 S\n0.309566 0.073362 0.205673 S\n0.654845 0.897822 0.042433 S\n0.271585 0.411607 0.967046 S\n0.154845 0.102178 0.457567 S\n0.030405 0.138973 0.042853 S\n0.728415 0.588393 0.032954 S\n0.969595 0.861027 0.957147 S\n0.809566 0.926638 0.294327 S\n0.771585 0.588393 0.532954 S\n0.690434 0.926638 0.794327 S\n0.345155 0.102178 0.957567 S\n0.845155 0.897822 0.542433 S\n0.190434 0.073362 0.705673 S\n0.530405 0.861027 0.457147 S\n0.469595 0.138973 0.542853 S\n0.417303 0.756050 0.955526 N\n0.697976 0.196438 0.333800 N\n0.627038 0.633775 0.722315 N\n0.872962 0.633775 0.222315 N\n0.560781 0.682232 0.323715 N\n0.939219 0.682232 0.823715 N\n0.302024 0.803562 0.666200 N\n0.197976 0.803562 0.166200 N\n0.802024 0.196438 0.833800 N\n0.917303 0.243950 0.544474 N\n0.439219 0.317768 0.676285 N\n0.127038 0.366225 0.777685 N\n0.082697 0.756050 0.455526 N\n0.060781 0.317768 0.176285 N\n0.582697 0.243950 0.044474 N\n0.372962 0.366225 0.277685 N\n0.194032 0.681828 0.199717 O\n0.907717 0.568452 0.308831 O\n0.998408 0.631609 0.785719 O\n0.694032 0.318172 0.300283 O\n0.501592 0.631609 0.285719 O\n0.694584 0.258464 0.044989 O\n0.305968 0.681828 0.699717 O\n0.805968 0.318172 0.800283 O\n0.407717 0.431548 0.191169 O\n0.592283 0.568452 0.808831 O\n0.194584 0.741536 0.455011 O\n0.305416 0.741536 0.955011 O\n0.805416 0.258464 0.544989 O\n0.498408 0.368391 0.714281 O\n0.001592 0.368391 0.214281 O\n0.092283 0.431548 0.691169 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Fe",
                "S",
                "N",
                "O"
            ],
            "chemical_system": "Fe-N-O-S",
            "density": 2.0593656432994805,
            "density_atomic": 0.04206987776747439,
            "volume": 1521.278487038546,
            "volume_molar": 14.314614350165563,
            "formula_full": "Fe16 S16 N16 O16",
            "formula_reduced": "FeSNO",
            "formula_anonymous": "ABCD",
            "energy": -426.57994557,
            "energy_per_atom": -6.66531164953125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -371.44394557,
            "band_gap": 1.5851000000000002,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 48.0000002,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:28.592000Z",
            "spacegroup": 14
        }
    ]
}