GET /third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=28
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_gap_direct&page=29",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=27",
    "results": [
        {
            "id": "mp-1008835",
            "created_at": "2022-09-04T14:42:59.912297Z",
            "structure_string": "Os1 C2\n1.0\n1.435840 -2.486947 0.000000\n1.435840 2.486947 0.000000\n0.000000 0.000000 4.014595\nOs C\n1 2\ndirect\n0.666667 0.333333 0.500000 Os\n0.000000 0.000000 0.819966 C\n0.000000 0.000000 0.180034 C\n",
            "nsites": 3,
            "nelements": 2,
            "elements": [
                "Os",
                "C"
            ],
            "chemical_system": "C-Os",
            "density": 12.408761947172612,
            "density_atomic": 0.10463499113055408,
            "volume": 28.671097188290208,
            "volume_molar": 5.7553794337174615,
            "formula_full": "Os1 C2",
            "formula_reduced": "OsC2",
            "formula_anonymous": "AB2",
            "energy": -27.88123268,
            "energy_per_atom": -9.293744226666666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -27.88123268,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.55e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:05.536000Z",
            "spacegroup": 187
        },
        {
            "id": "mp-752642",
            "created_at": "2022-09-04T14:42:59.980521Z",
            "structure_string": "V4 As4 O16\n1.0\n0.001401 6.155602 0.001089\n-2.363088 0.000565 6.074647\n7.887713 0.001717 -0.319462\nV As O\n4 4 16\ndirect\n0.619414 0.082405 0.209657 V\n0.380524 0.917572 0.790352 V\n0.119039 0.417102 0.290147 V\n0.881014 0.582839 0.709767 V\n0.110640 0.849720 0.145933 As\n0.610696 0.650298 0.354162 As\n0.389321 0.349712 0.645849 As\n0.889343 0.150289 0.854074 As\n0.021961 0.654019 0.941275 O\n0.521997 0.846132 0.558847 O\n0.478009 0.153852 0.441147 O\n0.978048 0.345967 0.058720 O\n0.331338 0.964600 0.069521 O\n0.831589 0.535767 0.430346 O\n0.168450 0.464263 0.569668 O\n0.668634 0.035417 0.930490 O\n0.678608 0.764027 0.202347 O\n0.178700 0.735989 0.297621 O\n0.821302 0.264043 0.702397 O\n0.321388 0.235958 0.797649 O\n0.458738 0.403973 0.249729 O\n0.958660 0.096292 0.250678 O\n0.041317 0.903721 0.749337 O\n0.541271 0.596043 0.750288 O\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "V",
                "As",
                "O"
            ],
            "chemical_system": "As-O-V",
            "density": 4.344086296533923,
            "density_atomic": 0.08267334680749083,
            "volume": 290.2991221086675,
            "volume_molar": 7.284259066011765,
            "formula_full": "V4 As4 O16",
            "formula_reduced": "VAsO4",
            "formula_anonymous": "ABC4",
            "energy": -181.6333678,
            "energy_per_atom": -7.5680569916666665,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -163.8413678,
            "band_gap": 1.4117000000000002,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0005016,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:08.001000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-775947",
            "created_at": "2022-09-04T14:43:00.259023Z",
            "structure_string": "Li3 V4 O3 F9\n1.0\n5.160139 -0.001237 0.006477\n2.553584 -4.944220 0.036256\n0.021600 -3.039155 -8.514059\nLi V O F\n3 4 3 9\ndirect\n0.355899 0.273773 0.117060 Li\n0.199202 0.612891 0.406415 Li\n0.934203 0.098399 0.643544 Li\n0.019296 0.015241 0.994757 V\n0.248519 0.491552 0.753558 V\n0.469595 0.982201 0.497493 V\n0.780833 0.485389 0.251842 V\n0.190383 0.266143 0.312114 O\n0.190271 0.250789 0.935377 O\n0.297229 0.748019 0.568302 O\n0.212089 0.264789 0.615978 F\n0.253021 0.745576 0.874750 F\n0.321825 0.747909 0.195507 F\n0.667577 0.262402 0.444423 F\n0.705140 0.233545 0.804897 F\n0.737192 0.258089 0.126382 F\n0.760417 0.750015 0.369212 F\n0.834732 0.756228 0.066274 F\n0.806313 0.784642 0.678536 F\n",
            "nsites": 19,
            "nelements": 4,
            "elements": [
                "Li",
                "V",
                "O",
                "F"
            ],
            "chemical_system": "F-Li-O-V",
            "density": 3.3832601706919245,
            "density_atomic": 0.08727200710593619,
            "volume": 217.7101298579809,
            "volume_molar": 6.9004265625402095,
            "formula_full": "Li3 V4 O3 F9",
            "formula_reduced": "Li3V4(OF3)3",
            "formula_anonymous": "A3B3C4D9",
            "energy": -130.27349884,
            "energy_per_atom": -6.856499938947368,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -117.25449884,
            "band_gap": 1.5359,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.9999356,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:05.363000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-556908",
            "created_at": "2022-09-04T14:42:59.606130Z",
            "structure_string": "Nd10 As8 Cl6 O24\n1.0\n5.489442 0.000000 0.000000\n0.000000 10.419491 0.000000\n0.000000 9.447866 14.147762\nNd As Cl O\n10 8 6 24\ndirect\n0.764560 0.495672 0.585713 Nd\n0.744045 0.836600 0.968172 Nd\n0.235440 0.495672 0.085713 Nd\n0.708059 0.500000 0.250000 Nd\n0.744045 0.163400 0.531828 Nd\n0.255955 0.163400 0.031828 Nd\n0.235440 0.504328 0.414287 Nd\n0.291941 0.500000 0.750000 Nd\n0.764560 0.504328 0.914287 Nd\n0.255955 0.836600 0.468172 Nd\n0.261616 0.229177 0.361768 As\n0.738384 0.229177 0.861768 As\n0.763250 0.756692 0.350298 As\n0.738384 0.770823 0.638232 As\n0.236750 0.756692 0.850298 As\n0.236750 0.243308 0.649702 As\n0.763250 0.243308 0.149702 As\n0.261616 0.770823 0.138232 As\n0.753656 0.996736 0.080028 Cl\n0.753656 0.003264 0.419972 Cl\n0.747699 0.000000 0.750000 Cl\n0.252301 0.000000 0.250000 Cl\n0.246344 0.996736 0.580028 Cl\n0.246344 0.003264 0.919972 Cl\n0.488490 0.327733 0.563684 O\n0.000715 0.315878 0.054597 O\n0.999285 0.315878 0.554597 O\n0.511510 0.327733 0.063684 O\n0.652239 0.637573 0.757851 O\n0.172823 0.593304 0.844500 O\n0.005777 0.679991 0.120740 O\n0.994223 0.679991 0.620740 O\n0.999285 0.684122 0.945403 O\n0.827177 0.593304 0.344500 O\n0.347761 0.362427 0.242149 O\n0.994223 0.320009 0.879260 O\n0.005777 0.320009 0.379260 O\n0.000715 0.684122 0.445403 O\n0.513351 0.689178 0.596893 O\n0.488490 0.672267 0.936316 O\n0.486649 0.310822 0.403107 O\n0.652239 0.362427 0.742149 O\n0.511510 0.672267 0.436316 O\n0.172823 0.406696 0.655500 O\n0.347761 0.637573 0.257851 O\n0.827177 0.406696 0.155500 O\n0.513351 0.310822 0.903107 O\n0.486649 0.689178 0.096893 O\n",
            "nsites": 48,
            "nelements": 4,
            "elements": [
                "Nd",
                "As",
                "Cl",
                "O"
            ],
            "chemical_system": "As-Cl-Nd-O",
            "density": 5.4143104422339,
            "density_atomic": 0.05931694662958176,
            "volume": 809.212252608803,
            "volume_molar": 10.152479354014352,
            "formula_full": "Nd10 As8 Cl6 O24",
            "formula_reduced": "Nd5As4(ClO4)3",
            "formula_anonymous": "A3B4C5D12",
            "energy": -352.43373315,
            "energy_per_atom": -7.342369440625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -332.26173315,
            "band_gap": 3.6034,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006835,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:57.386000Z",
            "spacegroup": 13
        },
        {
            "id": "mp-1212207",
            "created_at": "2022-09-04T14:42:59.692757Z",
            "structure_string": "In4 Rh4 O12\n1.0\n5.341129 0.000000 0.000000\n0.000000 5.529847 0.000000\n0.000000 0.000000 8.244579\nIn Rh O\n4 4 12\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.500000 In\n0.500000 0.500000 0.500000 In\n0.006395 0.449053 0.250000 Rh\n0.993605 0.550947 0.750000 Rh\n0.506395 0.050947 0.750000 Rh\n0.493605 0.949053 0.250000 Rh\n0.326818 0.181230 0.097344 O\n0.673182 0.818770 0.902656 O\n0.826818 0.318770 0.902656 O\n0.673182 0.818770 0.597344 O\n0.173182 0.681230 0.097344 O\n0.326818 0.181230 0.402656 O\n0.173182 0.681230 0.402656 O\n0.826818 0.318770 0.597344 O\n0.666064 0.617941 0.250000 O\n0.333936 0.382059 0.750000 O\n0.166064 0.882059 0.750000 O\n0.833936 0.117941 0.250000 O\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "In",
                "Rh",
                "O"
            ],
            "chemical_system": "In-O-Rh",
            "density": 7.248054405493056,
            "density_atomic": 0.08213255424961792,
            "volume": 243.50880333291278,
            "volume_molar": 7.33222144984979,
            "formula_full": "In4 Rh4 O12",
            "formula_reduced": "InRhO3",
            "formula_anonymous": "ABC3",
            "energy": -124.09238365,
            "energy_per_atom": -6.2046191825,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -115.84838365,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0011418,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:07.671000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1180571",
            "created_at": "2022-09-04T14:42:59.879770Z",
            "structure_string": "Nb8 Fe4 O24\n1.0\n5.831463 0.000000 0.000000\n0.000000 5.333251 0.000000\n0.000000 0.109164 14.954685\nNb Fe O\n8 4 24\ndirect\n0.171546 0.484078 0.334758 Nb\n0.668939 0.010351 0.835154 Nb\n0.331061 0.510351 0.835154 Nb\n0.828454 0.984078 0.334758 Nb\n0.828454 0.515922 0.665242 Nb\n0.171546 0.015922 0.665242 Nb\n0.668939 0.489649 0.164846 Nb\n0.331061 0.989649 0.164846 Nb\n0.142934 0.250000 0.000000 Fe\n0.349961 0.750000 0.500000 Fe\n0.857066 0.750000 0.000000 Fe\n0.650039 0.250000 0.500000 Fe\n0.907625 0.295594 0.397915 O\n0.609084 0.591433 0.582475 O\n0.114012 0.590664 0.918461 O\n0.114012 0.909336 0.081539 O\n0.857853 0.660662 0.258711 O\n0.885988 0.409336 0.081539 O\n0.092375 0.704406 0.602085 O\n0.359591 0.836824 0.759148 O\n0.857853 0.839338 0.741289 O\n0.609084 0.908567 0.417525 O\n0.907625 0.204406 0.602085 O\n0.401610 0.305864 0.101627 O\n0.359591 0.663176 0.240852 O\n0.092375 0.795594 0.397915 O\n0.598390 0.694136 0.898373 O\n0.390916 0.091433 0.582475 O\n0.598390 0.805864 0.101627 O\n0.640409 0.336824 0.759148 O\n0.142147 0.339338 0.741289 O\n0.885988 0.090664 0.918461 O\n0.390916 0.408567 0.417525 O\n0.142147 0.160662 0.258711 O\n0.640409 0.163176 0.240852 O\n0.401610 0.194136 0.898373 O\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Nb",
                "Fe",
                "O"
            ],
            "chemical_system": "Fe-Nb-O",
            "density": 4.822079609096103,
            "density_atomic": 0.07740262389998118,
            "volume": 465.1005119221644,
            "volume_molar": 7.780279862064813,
            "formula_full": "Nb8 Fe4 O24",
            "formula_reduced": "Nb2FeO6",
            "formula_anonymous": "AB2C6",
            "energy": -330.61138428,
            "energy_per_atom": -9.183649563333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -305.09938428,
            "band_gap": 2.0635,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 15.9997387,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:03.358000Z",
            "spacegroup": 60
        },
        {
            "id": "mp-70",
            "created_at": "2022-09-04T14:42:59.888532Z",
            "structure_string": "Rb1\n1.0\n-2.822078 2.822078 2.822078\n2.822078 -2.822078 2.822078\n2.822078 2.822078 -2.822078\nRb\n1\ndirect\n0.000000 0.000000 0.000000 Rb\n",
            "nsites": 1,
            "nelements": 1,
            "elements": [
                "Rb"
            ],
            "chemical_system": "Rb",
            "density": 1.578645412106472,
            "density_atomic": 0.011123282552164366,
            "volume": 89.90151920625446,
            "volume_molar": 54.13996031979079,
            "formula_full": "Rb1",
            "formula_reduced": "Rb",
            "formula_anonymous": "A",
            "energy": -0.9713216,
            "energy_per_atom": -0.9713216,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -0.9713216,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0027642,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:08.439000Z",
            "spacegroup": 229
        },
        {
            "id": "mp-863755",
            "created_at": "2022-09-04T14:42:59.221760Z",
            "structure_string": "K2 Y2 Ge2 S8\n1.0\n6.711878 0.000000 0.000000\n0.000000 6.542131 0.000000\n0.000000 2.591534 8.309915\nK Y Ge S\n2 2 2 8\ndirect\n0.990871 0.733173 0.065379 K\n0.490871 0.266827 0.934621 K\n0.509110 0.228417 0.449097 Y\n0.009110 0.771583 0.550903 Y\n0.474144 0.774783 0.325483 Ge\n0.974144 0.225217 0.674517 Ge\n0.472139 0.569407 0.166304 S\n0.236327 0.025031 0.280636 S\n0.744915 0.982282 0.298570 S\n0.905495 0.434034 0.426912 S\n0.405495 0.565966 0.573088 S\n0.244915 0.017718 0.701430 S\n0.736327 0.974969 0.719364 S\n0.972139 0.430593 0.833696 S\n",
            "nsites": 14,
            "nelements": 4,
            "elements": [
                "K",
                "Y",
                "Ge",
                "S"
            ],
            "chemical_system": "Ge-K-S-Y",
            "density": 2.993564188900987,
            "density_atomic": 0.03836791189202345,
            "volume": 364.88824409833336,
            "volume_molar": 15.695774054495734,
            "formula_full": "K2 Y2 Ge2 S8",
            "formula_reduced": "KYGeS4",
            "formula_anonymous": "ABCD4",
            "energy": -79.0065117,
            "energy_per_atom": -5.643322264285715,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -74.9825117,
            "band_gap": 2.4131,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0004383,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:02.122000Z",
            "spacegroup": 4
        },
        {
            "id": "mp-1195802",
            "created_at": "2022-09-04T14:42:59.157643Z",
            "structure_string": "Sm8 Ge6 S24\n1.0\n6.173332 -9.656237 0.000000\n6.173332 9.656237 0.000000\n-8.930816 0.000000 7.182859\nSm Ge S\n8 6 24\ndirect\n0.499858 0.499858 0.499858 Sm\n0.999858 0.999858 0.999858 Sm\n0.711382 0.934706 0.474239 Sm\n0.474239 0.711382 0.934706 Sm\n0.934706 0.474239 0.711382 Sm\n0.974239 0.434706 0.211382 Sm\n0.211382 0.974239 0.434706 Sm\n0.434706 0.211382 0.974239 Sm\n0.855883 0.643667 0.469107 Ge\n0.469107 0.855883 0.643667 Ge\n0.643667 0.469107 0.855883 Ge\n0.969107 0.143667 0.355883 Ge\n0.355883 0.969107 0.143667 Ge\n0.143667 0.355883 0.969107 Ge\n0.812072 0.884050 0.282061 S\n0.282061 0.812072 0.884050 S\n0.884050 0.282061 0.812072 S\n0.782061 0.384050 0.312072 S\n0.312072 0.782061 0.384050 S\n0.384050 0.312072 0.782061 S\n0.872231 0.686325 0.689708 S\n0.689708 0.872231 0.686325 S\n0.686325 0.689708 0.872231 S\n0.189708 0.186325 0.372231 S\n0.372231 0.189708 0.186325 S\n0.186325 0.372231 0.189708 S\n0.610278 0.585039 0.295818 S\n0.295818 0.610278 0.585039 S\n0.585039 0.295818 0.610278 S\n0.795818 0.085039 0.110278 S\n0.110278 0.795818 0.085039 S\n0.085039 0.110278 0.795818 S\n0.087337 0.355593 0.633646 S\n0.633646 0.087337 0.355593 S\n0.355593 0.633646 0.087337 S\n0.133646 0.855593 0.587337 S\n0.587337 0.133646 0.855593 S\n0.855593 0.587337 0.133646 S\n",
            "nsites": 38,
            "nelements": 3,
            "elements": [
                "Sm",
                "Ge",
                "S"
            ],
            "chemical_system": "Ge-S-Sm",
            "density": 4.669831273430527,
            "density_atomic": 0.0443740133216716,
            "volume": 856.3570692723746,
            "volume_molar": 13.571323189419239,
            "formula_full": "Sm8 Ge6 S24",
            "formula_reduced": "Sm4(GeS4)3",
            "formula_anonymous": "A3B4C12",
            "energy": -223.65429684,
            "energy_per_atom": -5.885639390526316,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -211.58229684,
            "band_gap": 1.9946,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0025965,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:01.158000Z",
            "spacegroup": 161
        },
        {
            "id": "mp-774351",
            "created_at": "2022-09-04T14:42:59.898688Z",
            "structure_string": "Li12 Cr12 Cu8 O48\n1.0\n9.178733 0.000000 0.000000\n0.000000 8.842220 0.000000\n0.000000 8.276274 12.557155\nLi Cr Cu O\n12 12 8 48\ndirect\n0.912263 0.375865 0.697500 Li\n0.492830 0.715925 0.343621 Li\n0.226310 0.001530 0.178261 Li\n0.726310 0.998470 0.321739 Li\n0.412263 0.624135 0.802500 Li\n0.992830 0.284075 0.156379 Li\n0.007170 0.715925 0.843621 Li\n0.587737 0.375865 0.197500 Li\n0.273690 0.001530 0.678261 Li\n0.773690 0.998470 0.821739 Li\n0.507170 0.284075 0.656379 Li\n0.087737 0.624135 0.302500 Li\n0.750232 0.553310 0.492123 Cr\n0.623611 0.263122 0.852888 Cr\n0.887465 0.967652 0.147838 Cr\n0.123611 0.736878 0.647112 Cr\n0.387465 0.032348 0.352162 Cr\n0.250232 0.446690 0.007877 Cr\n0.749768 0.553310 0.992123 Cr\n0.612535 0.967652 0.647838 Cr\n0.876389 0.263122 0.352888 Cr\n0.112535 0.032348 0.852162 Cr\n0.376389 0.736878 0.147112 Cr\n0.249768 0.446690 0.507877 Cr\n0.973014 0.351511 0.895204 Cu\n0.473014 0.648489 0.604796 Cu\n0.035710 0.867823 0.386147 Cu\n0.535710 0.132177 0.113853 Cu\n0.464290 0.867823 0.886147 Cu\n0.964290 0.132177 0.613853 Cu\n0.526986 0.351511 0.395204 Cu\n0.026986 0.648489 0.104796 Cu\n0.121232 0.604415 0.444582 O\n0.114064 0.150585 0.906588 O\n0.334923 0.455541 0.603554 O\n0.419913 0.868723 0.194537 O\n0.629785 0.513541 0.588225 O\n0.807719 0.290496 0.835703 O\n0.583075 0.153253 0.980284 O\n0.014214 0.872646 0.248240 O\n0.723045 0.974704 0.195897 O\n0.821067 0.761624 0.435903 O\n0.532181 0.457473 0.785051 O\n0.032181 0.542527 0.714949 O\n0.944434 0.182125 0.063305 O\n0.444434 0.817875 0.436695 O\n0.321067 0.238376 0.064097 O\n0.223045 0.025296 0.304103 O\n0.083075 0.846747 0.519716 O\n0.514214 0.127354 0.251760 O\n0.307719 0.709504 0.664297 O\n0.129785 0.486459 0.911775 O\n0.834923 0.544459 0.896446 O\n0.614064 0.849415 0.593412 O\n0.919913 0.131277 0.305463 O\n0.621232 0.395585 0.055418 O\n0.378768 0.604415 0.944582 O\n0.080087 0.868723 0.694537 O\n0.385936 0.150585 0.406588 O\n0.165077 0.455541 0.103554 O\n0.870215 0.513541 0.088225 O\n0.692281 0.290496 0.335703 O\n0.485786 0.872646 0.748240 O\n0.916925 0.153253 0.480284 O\n0.776955 0.974704 0.695897 O\n0.678933 0.761624 0.935903 O\n0.555566 0.182125 0.563305 O\n0.055566 0.817875 0.936695 O\n0.967819 0.457473 0.285051 O\n0.467819 0.542527 0.214949 O\n0.178933 0.238376 0.564097 O\n0.276955 0.025296 0.804103 O\n0.985786 0.127354 0.751760 O\n0.416925 0.846747 0.019716 O\n0.192281 0.709504 0.164297 O\n0.370215 0.486459 0.411775 O\n0.580087 0.131277 0.805463 O\n0.665077 0.544459 0.396446 O\n0.885936 0.849415 0.093412 O\n0.878768 0.395585 0.555418 O\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Li",
                "Cr",
                "Cu",
                "O"
            ],
            "chemical_system": "Cr-Cu-Li-O",
            "density": 3.2319488098559486,
            "density_atomic": 0.07849729275464389,
            "volume": 1019.1434276600222,
            "volume_molar": 7.671781469996914,
            "formula_full": "Li12 Cr12 Cu8 O48",
            "formula_reduced": "Li3Cr3(CuO6)2",
            "formula_anonymous": "A2B3C3D12",
            "energy": -545.13527632,
            "energy_per_atom": -6.814190954,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -488.17127632,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0394977,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:06.180000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1247351",
            "created_at": "2022-09-04T14:42:59.644664Z",
            "structure_string": "Sr10 Os4 N12\n1.0\n6.304469 -0.189571 -0.112479\n-3.724789 5.945223 0.000000\n-2.305879 -1.444675 12.949188\nSr Os N\n10 4 12\ndirect\n0.131707 0.806666 0.999621 Sr\n0.868293 0.674959 0.500379 Sr\n0.868293 0.193334 0.000379 Sr\n0.131707 0.325041 0.499621 Sr\n0.317463 0.058357 0.717059 Sr\n0.682537 0.740894 0.782941 Sr\n0.682537 0.941643 0.282941 Sr\n0.317463 0.259106 0.217059 Sr\n0.000000 0.390305 0.750000 Sr\n0.000000 0.609695 0.250000 Sr\n0.536816 0.864946 0.556648 Os\n0.463184 0.328130 0.943352 Os\n0.463184 0.135054 0.443352 Os\n0.536816 0.671870 0.056648 Os\n0.887185 0.993476 0.623412 N\n0.112815 0.106292 0.876588 N\n0.112815 0.006524 0.376588 N\n0.887185 0.893708 0.123412 N\n0.294187 0.694267 0.640180 N\n0.705813 0.400080 0.859820 N\n0.705813 0.305733 0.359820 N\n0.294187 0.599920 0.140180 N\n0.582212 0.267986 0.582203 N\n0.417788 0.685774 0.917797 N\n0.417788 0.732014 0.417797 N\n0.582212 0.314226 0.082203 N\n",
            "nsites": 26,
            "nelements": 3,
            "elements": [
                "Sr",
                "Os",
                "N"
            ],
            "chemical_system": "N-Os-Sr",
            "density": 6.323211136978895,
            "density_atomic": 0.054844933333517656,
            "volume": 474.0638454584553,
            "volume_molar": 10.980304640683482,
            "formula_full": "Sr10 Os4 N12",
            "formula_reduced": "Sr5(OsN3)2",
            "formula_anonymous": "A2B5C6",
            "energy": -178.48988749,
            "energy_per_atom": -6.864995672692308,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -174.15788749,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0042335,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:04.613000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1102385",
            "created_at": "2022-09-04T14:42:59.854349Z",
            "structure_string": "Cu4 C4 S4\n1.0\n0.000000 0.000000 3.606602\n8.376734 0.000000 0.000000\n0.000000 8.376734 0.000000\nCu C S\n4 4 4\ndirect\n0.500000 0.859592 0.059372 Cu\n0.500000 0.140408 0.940628 Cu\n0.000000 0.059372 0.140408 Cu\n0.000000 0.940628 0.859592 Cu\n0.500000 0.596202 0.793117 C\n0.500000 0.403798 0.206883 C\n0.000000 0.793117 0.403798 C\n0.000000 0.206883 0.596202 C\n0.500000 0.783508 0.757108 S\n0.500000 0.216492 0.242892 S\n0.000000 0.757108 0.216492 S\n0.000000 0.242892 0.783508 S\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Cu",
                "C",
                "S"
            ],
            "chemical_system": "C-Cu-S",
            "density": 2.824628052228111,
            "density_atomic": 0.04741694583259895,
            "volume": 253.07408120221126,
            "volume_molar": 12.700397830894886,
            "formula_full": "Cu4 C4 S4",
            "formula_reduced": "CuCS",
            "formula_anonymous": "ABC",
            "energy": -55.60398352,
            "energy_per_atom": -4.633665293333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -53.59198352,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0069597,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:09.340000Z",
            "spacegroup": 84
        }
    ]
}