GET /third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=10244
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=10245",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=10243",
    "results": [
        {
            "id": "mp-1180187",
            "created_at": "2022-09-04T14:45:20.128381Z",
            "structure_string": "Mn4 N4 F12\n1.0\n5.603628 0.000000 0.000000\n0.000000 5.658279 0.000000\n0.000000 0.000000 8.054709\nMn N F\n4 4 12\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.002791 0.497477 0.250000 N\n0.502791 0.002523 0.250000 N\n0.997209 0.502523 0.750000 N\n0.497209 0.997477 0.750000 N\n0.749225 0.733245 0.004231 F\n0.249225 0.766755 0.495769 F\n0.250775 0.266755 0.504231 F\n0.750775 0.233245 0.995769 F\n0.250775 0.266755 0.995769 F\n0.750775 0.233245 0.504231 F\n0.749225 0.733245 0.495769 F\n0.249225 0.766755 0.004231 F\n0.500626 0.489729 0.250000 F\n0.000626 0.010271 0.250000 F\n0.499374 0.510271 0.750000 F\n0.999374 0.989729 0.750000 F\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Mn",
                "N",
                "F"
            ],
            "chemical_system": "F-Mn-N",
            "density": 3.275435952262908,
            "density_atomic": 0.07831167013025293,
            "volume": 255.38977736951253,
            "volume_molar": 7.689965939921335,
            "formula_full": "Mn4 N4 F12",
            "formula_reduced": "MnNF3",
            "formula_anonymous": "ABC3",
            "energy": -114.66366724,
            "energy_per_atom": -5.733183362,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -102.44766724,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 28.000005,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:54.229000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1110869",
            "created_at": "2022-09-04T14:45:20.151680Z",
            "structure_string": "K2 Li1 Bi1 Cl6\n1.0\n0.000000 5.274899 5.274899\n5.274899 0.000000 5.274899\n5.274899 5.274899 0.000000\nK Li Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Bi\n0.743480 0.256520 0.256520 Cl\n0.256520 0.256520 0.743480 Cl\n0.256520 0.743480 0.743480 Cl\n0.256520 0.743480 0.256520 Cl\n0.743480 0.256520 0.743480 Cl\n0.743480 0.743480 0.256520 Cl\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "K",
                "Li",
                "Bi",
                "Cl"
            ],
            "chemical_system": "Bi-Cl-K-Li",
            "density": 2.8671083866646487,
            "density_atomic": 0.034066503335670364,
            "volume": 293.5434817441095,
            "volume_molar": 17.677601662435176,
            "formula_full": "K2 Li1 Bi1 Cl6",
            "formula_reduced": "K2LiBiCl6",
            "formula_anonymous": "ABC2D6",
            "energy": -38.10168875,
            "energy_per_atom": -3.810168875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -34.41768875,
            "band_gap": 3.6182,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005039,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:03.987000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1222936",
            "created_at": "2022-09-04T14:45:20.168828Z",
            "structure_string": "Li4 Al2 Ga2 Si4 H8 O20\n1.0\n0.000000 0.000000 -5.052861\n0.004339 -8.318503 0.000000\n-10.604594 0.005244 0.000000\nLi Al Ga Si H O\n4 2 2 4 8 20\ndirect\n0.243040 0.686539 0.186187 Li\n0.743040 0.313461 0.813813 Li\n0.740797 0.179328 0.311570 Li\n0.240797 0.820672 0.688430 Li\n0.247874 0.080808 0.156088 Al\n0.747874 0.919192 0.843912 Al\n0.745439 0.581751 0.344864 Ga\n0.245439 0.418249 0.655136 Ga\n0.748807 0.875107 0.142871 Si\n0.248807 0.124893 0.857129 Si\n0.247857 0.369926 0.353612 Si\n0.747857 0.630074 0.646388 Si\n0.655643 0.330237 0.037935 H\n0.155643 0.669763 0.962065 H\n0.154048 0.830237 0.464642 H\n0.654048 0.169763 0.535358 H\n0.884377 0.460464 0.018763 H\n0.384377 0.539536 0.981237 H\n0.384803 0.960824 0.481557 H\n0.884803 0.039176 0.518443 H\n0.220338 0.584760 0.017383 O\n0.720338 0.415240 0.982617 O\n0.720310 0.082837 0.481912 O\n0.220310 0.917163 0.518088 O\n0.867374 0.722453 0.223418 O\n0.367374 0.277547 0.776582 O\n0.364266 0.220052 0.269454 O\n0.864266 0.779948 0.730546 O\n0.391402 0.540667 0.311724 O\n0.891402 0.459333 0.688276 O\n0.909503 0.039184 0.186311 O\n0.409503 0.960816 0.813689 O\n0.817635 0.670619 0.499207 O\n0.317635 0.329381 0.500793 O\n0.304763 0.160000 0.005771 O\n0.804763 0.840000 0.994229 O\n0.929170 0.388245 0.324023 O\n0.429170 0.611755 0.675977 O\n0.432554 0.899251 0.175586 O\n0.932554 0.100749 0.824414 O\n",
            "nsites": 40,
            "nelements": 6,
            "elements": [
                "Li",
                "Al",
                "Ga",
                "Si",
                "H",
                "O"
            ],
            "chemical_system": "Al-Ga-H-Li-O-Si",
            "density": 2.464598636519522,
            "density_atomic": 0.08973947580770497,
            "volume": 445.73471863945997,
            "volume_molar": 6.71069304316456,
            "formula_full": "Li4 Al2 Ga2 Si4 H8 O20",
            "formula_reduced": "Li2AlGaSi2(H2O5)2",
            "formula_anonymous": "ABC2D2E4F10",
            "energy": -267.75323101,
            "energy_per_atom": -6.6938307752499995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -254.01323101,
            "band_gap": 4.349,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0036189,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:03.258000Z",
            "spacegroup": 4
        },
        {
            "id": "mp-556959",
            "created_at": "2022-09-04T14:45:20.171668Z",
            "structure_string": "V4 Zn4 Se8 O28\n1.0\n12.790761 0.000000 0.000000\n0.000000 7.576662 0.000000\n0.000000 4.065182 6.760275\nV Zn Se O\n4 4 8 28\ndirect\n0.754448 0.037092 0.222973 V\n0.254448 0.962908 0.277027 V\n0.745552 0.037092 0.722973 V\n0.245552 0.962908 0.777027 V\n0.992254 0.715905 0.487096 Zn\n0.507746 0.715905 0.987096 Zn\n0.492254 0.284095 0.012904 Zn\n0.007746 0.284095 0.512904 Zn\n0.488285 0.161708 0.660959 Se\n0.011715 0.161708 0.160959 Se\n0.988285 0.838292 0.839041 Se\n0.230494 0.463524 0.608274 Se\n0.511715 0.838292 0.339041 Se\n0.769506 0.536476 0.391726 Se\n0.269506 0.463524 0.108274 Se\n0.730494 0.536476 0.891726 Se\n0.904599 0.058107 0.712634 O\n0.228368 0.661931 0.880624 O\n0.269106 0.966459 0.485517 O\n0.728368 0.338069 0.619376 O\n0.463157 0.316388 0.752082 O\n0.730894 0.033541 0.514483 O\n0.036843 0.316388 0.252082 O\n0.593439 0.532646 0.923109 O\n0.771632 0.338069 0.119376 O\n0.263341 0.264020 0.572785 O\n0.769106 0.033541 0.014483 O\n0.906561 0.532646 0.423109 O\n0.763341 0.735980 0.927215 O\n0.963157 0.683612 0.747918 O\n0.536843 0.683612 0.247918 O\n0.236659 0.264020 0.072785 O\n0.404599 0.941893 0.787366 O\n0.595401 0.058107 0.212634 O\n0.271632 0.661931 0.380624 O\n0.907923 0.003253 0.306567 O\n0.406561 0.467354 0.076891 O\n0.736659 0.735980 0.427215 O\n0.095401 0.941893 0.287366 O\n0.092077 0.996747 0.693433 O\n0.230894 0.966459 0.985517 O\n0.592077 0.003253 0.806567 O\n0.407923 0.996747 0.193433 O\n0.093439 0.467354 0.576891 O\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "V",
                "Zn",
                "Se",
                "O"
            ],
            "chemical_system": "O-Se-V-Zn",
            "density": 3.9161313314791695,
            "density_atomic": 0.06716051473571498,
            "volume": 655.1468548617518,
            "volume_molar": 8.966787678292636,
            "formula_full": "V4 Zn4 Se8 O28",
            "formula_reduced": "VZnSe2O7",
            "formula_anonymous": "ABC2D7",
            "energy": -282.62387375000003,
            "energy_per_atom": -6.423269857954546,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -256.58787375,
            "band_gap": 1.971,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9984936,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:03.995000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1187929",
            "created_at": "2022-09-04T14:45:20.232654Z",
            "structure_string": "Yb2 Zn1 In1\n1.0\n0.000000 3.723962 3.723962\n3.723962 0.000000 3.723962\n3.723962 3.723962 0.000000\nYb Zn In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 In\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Yb",
                "Zn",
                "In"
            ],
            "chemical_system": "In-Yb-Zn",
            "density": 8.461405840688025,
            "density_atomic": 0.03872703727498867,
            "volume": 103.28701293613663,
            "volume_molar": 15.550223264533892,
            "formula_full": "Yb2 Zn1 In1",
            "formula_reduced": "Yb2ZnIn",
            "formula_anonymous": "ABC2",
            "energy": -8.71495735,
            "energy_per_atom": -2.1787393375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -8.71495735,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0011555,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:02.010000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-715438",
            "created_at": "2022-09-04T14:45:20.248724Z",
            "structure_string": "Fe6 O8\n1.0\n2.942666 -0.001116 -0.005274\n1.468998 4.882617 -0.004146\n-0.022716 -0.004597 9.990235\nFe O\n6 8\ndirect\n0.870626 0.254699 0.573300 Fe\n0.131228 0.727940 0.423911 Fe\n0.863838 0.272427 0.924768 Fe\n0.128822 0.749838 0.075200 Fe\n0.617950 0.764849 0.739782 Fe\n0.384119 0.238238 0.239456 Fe\n0.964403 0.072402 0.753351 O\n0.041048 0.922900 0.254256 O\n0.769255 0.469800 0.109987 O\n0.224780 0.550474 0.886051 O\n0.770606 0.446589 0.385496 O\n0.234554 0.528245 0.613827 O\n0.506616 0.981699 0.509689 O\n0.492154 0.019899 0.010926 O\n",
            "nsites": 14,
            "nelements": 2,
            "elements": [
                "Fe",
                "O"
            ],
            "chemical_system": "Fe-O",
            "density": 5.356414639938137,
            "density_atomic": 0.09752388242193832,
            "volume": 143.5545801943038,
            "volume_molar": 6.175042061948612,
            "formula_full": "Fe6 O8",
            "formula_reduced": "Fe3O4",
            "formula_anonymous": "A3B4",
            "energy": -111.89190841,
            "energy_per_atom": -7.992279172142857,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -92.85990841,
            "band_gap": 0.5739999999999998,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 28.0001089,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:07.298000Z",
            "spacegroup": 36
        },
        {
            "id": "mp-570552",
            "created_at": "2022-09-04T14:45:20.131282Z",
            "structure_string": "Cd13 I26\n1.0\n2.167936 -3.754976 0.000000\n2.167936 3.754976 0.000000\n0.000000 0.000000 101.764933\nCd I\n13 26\ndirect\n0.000000 0.000000 0.403793 Cd\n0.000000 0.000000 0.634617 Cd\n0.000000 0.000000 0.788493 Cd\n0.666667 0.333333 0.480729 Cd\n0.000000 0.000000 0.557639 Cd\n0.666667 0.333333 0.173175 Cd\n0.000000 0.000000 0.942360 Cd\n0.666667 0.333333 0.326899 Cd\n0.333333 0.666667 0.865429 Cd\n0.000000 0.000000 0.711551 Cd\n0.000000 0.000000 0.096155 Cd\n0.666667 0.333333 0.019150 Cd\n0.000000 0.000000 0.249954 Cd\n0.666667 0.333333 0.694644 I\n0.333333 0.666667 0.805417 I\n0.666667 0.333333 0.233033 I\n0.333333 0.666667 0.651543 I\n0.000000 0.000000 0.156223 I\n0.000000 0.000000 0.463839 I\n0.333333 0.666667 0.343845 I\n0.333333 0.666667 0.036065 I\n0.333333 0.666667 0.959302 I\n0.666667 0.333333 0.925430 I\n0.666667 0.333333 0.386888 I\n0.333333 0.666667 0.420713 I\n0.666667 0.333333 0.848483 I\n0.333333 0.666667 0.266884 I\n0.333333 0.666667 0.574585 I\n0.666667 0.333333 0.540691 I\n0.333333 0.666667 0.113075 I\n0.333333 0.666667 0.190094 I\n0.333333 0.666667 0.728447 I\n0.000000 0.000000 0.882367 I\n0.000000 0.000000 0.309974 I\n0.666667 0.333333 0.617698 I\n0.000000 0.000000 0.002237 I\n0.666667 0.333333 0.079233 I\n0.333333 0.666667 0.497650 I\n0.666667 0.333333 0.771597 I\n",
            "nsites": 39,
            "nelements": 2,
            "elements": [
                "Cd",
                "I"
            ],
            "chemical_system": "Cd-I",
            "density": 4.77147516289334,
            "density_atomic": 0.02353871971612276,
            "volume": 1656.844572276677,
            "volume_molar": 25.583977517159337,
            "formula_full": "Cd13 I26",
            "formula_reduced": "CdI2",
            "formula_anonymous": "AB2",
            "energy": -84.34671134,
            "energy_per_atom": -2.162736188205128,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -74.49271134,
            "band_gap": 2.4063,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0196624,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:04.205000Z",
            "spacegroup": 156
        },
        {
            "id": "mp-570292",
            "created_at": "2022-09-04T14:45:20.195288Z",
            "structure_string": "La7 Os4 C9\n1.0\n2.714545 6.016082 0.000000\n-2.714545 6.016082 0.000000\n0.000000 4.271338 11.214988\nLa Os C\n7 4 9\ndirect\n0.373485 0.373485 0.842894 La\n0.146934 0.146934 0.679221 La\n0.853066 0.853066 0.320779 La\n0.137025 0.137025 0.382567 La\n0.862975 0.862975 0.617433 La\n0.000000 0.000000 0.000000 La\n0.626515 0.626515 0.157106 La\n0.357638 0.357638 0.141229 Os\n0.566153 0.566153 0.571211 Os\n0.433847 0.433847 0.428789 Os\n0.642362 0.642362 0.858771 Os\n0.384565 0.384565 0.290660 C\n0.922023 0.922023 0.820227 C\n0.392026 0.392026 0.612528 C\n0.196033 0.196033 0.144555 C\n0.803967 0.803967 0.855445 C\n0.500000 0.500000 0.000000 C\n0.077977 0.077977 0.179773 C\n0.615435 0.615435 0.709340 C\n0.607974 0.607974 0.387472 C\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "La",
                "Os",
                "C"
            ],
            "chemical_system": "C-La-Os",
            "density": 8.347317345535515,
            "density_atomic": 0.05459971730982703,
            "volume": 366.3022628214292,
            "volume_molar": 11.029618937085807,
            "formula_full": "La7 Os4 C9",
            "formula_reduced": "La7Os4C9",
            "formula_anonymous": "A4B7C9",
            "energy": -168.12454455,
            "energy_per_atom": -8.4062272275,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -168.12454455,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0085633,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:00.803000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1040836",
            "created_at": "2022-09-04T14:45:20.226087Z",
            "structure_string": "La2 Cr2 Co2 O12\n1.0\n5.271665 -0.000706 0.036110\n-0.000764 6.154132 0.000291\n0.040450 0.000369 7.510711\nLa Cr Co O\n2 2 2 12\ndirect\n0.013638 0.872921 0.745231 La\n0.514048 0.627173 0.245493 La\n0.534134 0.078738 0.482444 Cr\n0.034259 0.420981 0.982342 Cr\n0.559659 0.076398 0.984767 Co\n0.060173 0.423842 0.484832 Co\n0.078298 0.467778 0.239329 O\n0.202562 0.190277 0.958966 O\n0.218135 0.161749 0.560294 O\n0.234246 0.646095 0.974708 O\n0.244894 0.657349 0.530862 O\n0.423807 0.030008 0.273846 O\n0.578348 0.032125 0.739116 O\n0.702564 0.309734 0.458947 O\n0.718381 0.338272 0.060250 O\n0.734651 0.853718 0.474496 O\n0.744301 0.843065 0.030718 O\n0.923966 0.469777 0.773774 O\n",
            "nsites": 18,
            "nelements": 4,
            "elements": [
                "La",
                "Cr",
                "Co",
                "O"
            ],
            "chemical_system": "Co-Cr-La-O",
            "density": 4.713717901228673,
            "density_atomic": 0.07387421385966358,
            "volume": 243.65741521383916,
            "volume_molar": 8.15188473130836,
            "formula_full": "La2 Cr2 Co2 O12",
            "formula_reduced": "LaCrCoO6",
            "formula_anonymous": "ABCD6",
            "energy": -139.53991439,
            "energy_per_atom": -7.752217466111111,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -124.02191439,
            "band_gap": 0.8775,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.0003077,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:02.683000Z",
            "spacegroup": 7
        },
        {
            "id": "mp-1094377",
            "created_at": "2022-09-04T14:45:20.236166Z",
            "structure_string": "Mg4 Ti2\n1.0\n5.360462 -2.647024 0.000000\n5.360462 2.647024 0.000000\n4.053347 0.000000 4.394504\nMg Ti\n4 2\ndirect\n0.000000 0.668516 0.331484 Mg\n0.331484 0.000000 0.668516 Mg\n0.500000 0.500000 0.500000 Mg\n0.668516 0.331484 0.000000 Mg\n0.167577 0.167577 0.167577 Ti\n0.832423 0.832423 0.832423 Ti\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Mg",
                "Ti"
            ],
            "chemical_system": "Mg-Ti",
            "density": 2.569229636955265,
            "density_atomic": 0.04811176505443324,
            "volume": 124.70962129973097,
            "volume_molar": 12.5169815598879,
            "formula_full": "Mg4 Ti2",
            "formula_reduced": "Mg2Ti",
            "formula_anonymous": "AB2",
            "energy": -21.07003567,
            "energy_per_atom": -3.5116726116666666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -21.07003567,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9971923,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:57.493000Z",
            "spacegroup": 155
        },
        {
            "id": "mp-22352",
            "created_at": "2022-09-04T14:45:20.240020Z",
            "structure_string": "Ba6 In2 Ru4 O18\n1.0\n2.956507 -5.120821 0.000000\n2.956507 5.120821 0.000000\n0.000000 0.000000 14.450552\nBa In Ru O\n6 2 4 18\ndirect\n0.333333 0.666667 0.589016 Ba\n0.666667 0.333333 0.089016 Ba\n0.666667 0.333333 0.410984 Ba\n0.333333 0.666667 0.910984 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.333333 0.666667 0.336532 Ru\n0.666667 0.333333 0.836532 Ru\n0.666667 0.333333 0.663468 Ru\n0.333333 0.666667 0.163468 Ru\n0.173267 0.826733 0.085903 O\n0.173267 0.346534 0.085903 O\n0.653466 0.826733 0.085903 O\n0.346534 0.173267 0.585903 O\n0.826733 0.653466 0.914097 O\n0.826733 0.173267 0.585903 O\n0.826733 0.653466 0.585903 O\n0.173267 0.826733 0.414097 O\n0.653466 0.826733 0.414097 O\n0.346534 0.173267 0.914097 O\n0.826733 0.173267 0.914097 O\n0.173267 0.346534 0.414097 O\n0.489307 0.978614 0.250000 O\n0.510693 0.489307 0.750000 O\n0.978614 0.489307 0.750000 O\n0.021386 0.510693 0.250000 O\n0.489307 0.510693 0.250000 O\n0.510693 0.021386 0.750000 O\n",
            "nsites": 30,
            "nelements": 4,
            "elements": [
                "Ba",
                "In",
                "Ru",
                "O"
            ],
            "chemical_system": "Ba-In-O-Ru",
            "density": 6.62563280952663,
            "density_atomic": 0.06856276368013396,
            "volume": 437.55529079835634,
            "volume_molar": 8.783398504901449,
            "formula_full": "Ba6 In2 Ru4 O18",
            "formula_reduced": "Ba3InRu2O9",
            "formula_anonymous": "AB2C3D9",
            "energy": -211.05068094,
            "energy_per_atom": -7.035022698000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -198.68468094,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 6.0094589,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:04.432000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-976876",
            "created_at": "2022-09-04T14:45:20.272604Z",
            "structure_string": "K2 Pt1 C2\n1.0\n2.590925 -4.487614 0.000000\n2.590925 4.487614 0.000000\n0.000000 0.000000 5.243604\nK Pt C\n2 1 2\ndirect\n0.333333 0.666667 0.275457 K\n0.666667 0.333333 0.724543 K\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.378221 C\n0.000000 0.000000 0.621779 C\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "K",
                "Pt",
                "C"
            ],
            "chemical_system": "C-K-Pt",
            "density": 4.048710376380808,
            "density_atomic": 0.0410052804748432,
            "volume": 121.93551518486765,
            "volume_molar": 14.68625672172781,
            "formula_full": "K2 Pt1 C2",
            "formula_reduced": "K2PtC2",
            "formula_anonymous": "AB2C2",
            "energy": -27.202706220000003,
            "energy_per_atom": -5.440541244,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -27.202706220000003,
            "band_gap": 0.9937999999999998,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:01.618000Z",
            "spacegroup": 164
        }
    ]
}