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HTTP 200 OK
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Content-Type: application/json
Vary: Accept

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        {
            "id": "mp-640715",
            "created_at": "2022-09-04T14:39:20.196816Z",
            "structure_string": "Rb24 Yb16 P24 O96\n1.0\n-8.729491 8.729491 8.729491\n8.729491 -8.729491 8.729491\n8.729491 8.729491 -8.729491\nYb Rb P O\n16 24 24 96\ndirect\n0.465166 0.250000 0.715166 Yb\n0.250000 0.211150 0.961150 Yb\n0.500000 0.000000 0.009282 Yb\n0.034834 0.750000 0.784834 Yb\n0.250000 0.715166 0.465166 Yb\n0.750000 0.288850 0.538850 Yb\n0.288850 0.538850 0.750000 Yb\n0.490718 0.490718 0.490718 Yb\n0.715166 0.465166 0.250000 Yb\n0.000000 0.009282 0.500000 Yb\n0.961150 0.250000 0.211150 Yb\n0.211150 0.961150 0.250000 Yb\n0.009282 0.500000 0.000000 Yb\n0.750000 0.784834 0.034834 Yb\n0.538850 0.750000 0.288850 Yb\n0.784834 0.034834 0.750000 Yb\n0.750000 0.993723 0.243723 Rb\n0.250000 0.506277 0.256277 Rb\n0.737756 0.750000 0.487756 Rb\n0.749103 0.500000 0.000000 Rb\n0.500392 0.500000 0.000000 Rb\n0.506277 0.256277 0.250000 Rb\n0.487756 0.737756 0.750000 Rb\n0.256277 0.250000 0.506277 Rb\n0.500000 0.000000 0.500392 Rb\n0.500000 0.000000 0.749103 Rb\n0.500000 0.000000 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O\n0.180278 0.896082 0.942318 O\n",
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            "nelements": 4,
            "elements": [
                "Yb",
                "Rb",
                "P",
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            "chemical_system": "O-P-Rb-Yb",
            "density": 4.430273342314082,
            "density_atomic": 0.060130280066876395,
            "volume": 2660.8889867475978,
            "volume_molar": 10.015155015579879,
            "formula_full": "Rb24 Yb16 P24 O96",
            "formula_reduced": "Rb3Yb2(PO4)3",
            "formula_anonymous": "A2B3C3D12",
            "energy": -1105.02302883,
            "energy_per_atom": -6.9063939301875,
            "energy_above_hull": null,
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            "band_gap": 0.0,
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            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:24.511000Z",
            "spacegroup": 199
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        {
            "id": "mp-1195212",
            "created_at": "2022-09-04T14:39:33.397809Z",
            "structure_string": "Rb16 Si40 Ni8 O96\n1.0\n0.000000 0.000000 13.898192\n13.633839 0.000000 0.000000\n-0.000000 13.808607 0.000000\nRb Si Ni O\n16 40 8 96\ndirect\n0.369459 0.627803 0.135619 Rb\n0.630541 0.127803 0.364381 Rb\n0.130541 0.372197 0.635619 Rb\n0.869459 0.872197 0.864381 Rb\n0.630541 0.372197 0.864381 Rb\n0.369459 0.872197 0.635619 Rb\n0.869459 0.627803 0.364381 Rb\n0.130541 0.127803 0.135619 Rb\n0.106212 0.875463 0.372974 Rb\n0.893788 0.375463 0.127026 Rb\n0.393788 0.124537 0.872974 Rb\n0.606212 0.624537 0.627026 Rb\n0.893788 0.124537 0.627026 Rb\n0.106212 0.624537 0.872974 Rb\n0.606212 0.875463 0.127026 Rb\n0.393788 0.375463 0.372974 Rb\n0.901882 0.634806 0.665495 Si\n0.098118 0.134806 0.834505 Si\n0.598118 0.365194 0.165495 Si\n0.401882 0.865194 0.334505 Si\n0.098118 0.365194 0.334505 Si\n0.901882 0.865194 0.165495 Si\n0.401882 0.634806 0.834505 Si\n0.598118 0.134806 0.665495 Si\n0.859064 0.087278 0.118589 Si\n0.140936 0.587278 0.381411 Si\n0.640936 0.912722 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            "nsites": 160,
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            "elements": [
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                "Si",
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            "chemical_system": "Ni-O-Rb-Si",
            "density": 2.853560981172983,
            "density_atomic": 0.061149603430894865,
            "volume": 2616.533730767623,
            "volume_molar": 9.848209018731605,
            "formula_full": "Rb16 Si40 Ni8 O96",
            "formula_reduced": "Rb2Si5NiO12",
            "formula_anonymous": "AB2C5D12",
            "energy": -1217.53376274,
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            "band_gap": 3.8397,
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            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:25.154000Z",
            "spacegroup": 61
        },
        {
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            "density_atomic": 0.06037162711371918,
            "volume": 2650.251577593156,
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            "formula_full": "Cs16 Cu8 Si40 O96",
            "formula_reduced": "Cs2CuSi5O12",
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            "id": "mp-680345",
            "created_at": "2022-09-04T14:43:35.890540Z",
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Br\n0.494798 0.546170 0.899596 Br\n0.512607 0.308020 0.515139 Br\n0.144186 0.952165 0.181261 Br\n0.546170 0.494798 0.399596 Br\n0.818018 0.286573 0.314880 Br\n",
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            "elements": [
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            "chemical_system": "Br-Tl",
            "density": 6.0646812018361,
            "density_atomic": 0.028160037875270147,
            "volume": 5681.810539768852,
            "volume_molar": 21.385414276337254,
            "formula_full": "Tl64 Br96",
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            "updated_at": "2021-11-28T01:36:16.001000Z",
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            "created_at": "2022-09-04T14:46:13.316011Z",
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            "nelements": 3,
            "elements": [
                "Sm",
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            "chemical_system": "B-O-Sm",
            "density": 4.867923610005784,
            "density_atomic": 0.10515220879457012,
            "volume": 1521.6037954331791,
            "volume_molar": 5.727070148155531,
            "formula_full": "Sm16 B48 O96",
            "formula_reduced": "Sm(BO2)3",
            "formula_anonymous": "AB3C6",
            "energy": -1379.7081848800003,
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            "energy_uncorrected": -1313.75618488,
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            "updated_at": "2021-11-28T01:37:30.452000Z",
            "spacegroup": 62
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            "id": "mp-1247605",
            "created_at": "2022-09-04T14:45:06.826401Z",
            "structure_string": "Ca32 Ti12 Mn20 O96\n1.0\n10.865151 0.000000 -0.001553\n0.000000 15.229453 0.000000\n-0.001535 0.000000 10.708203\nCa Ti Mn O\n32 12 20 96\ndirect\n0.019421 0.125000 0.496228 Ca\n0.019435 0.125000 0.995943 Ca\n0.022571 0.625000 0.497430 Ca\n0.019420 0.625000 0.994784 Ca\n0.524285 0.125000 0.495572 Ca\n0.524311 0.125000 0.995243 Ca\n0.523554 0.625000 0.495704 Ca\n0.523986 0.625000 0.995146 Ca\n0.480454 0.374706 0.004256 Ca\n0.479380 0.376113 0.505613 Ca\n0.480454 0.875294 0.004256 Ca\n0.479380 0.873887 0.505613 Ca\n0.976026 0.375777 0.002798 Ca\n0.976251 0.375817 0.505128 Ca\n0.976026 0.874223 0.002798 Ca\n0.976251 0.874183 0.505128 Ca\n0.230340 0.375304 0.246906 Ca\n0.229217 0.376531 0.744642 Ca\n0.230340 0.874696 0.246906 Ca\n0.229217 0.873469 0.744643 Ca\n0.725912 0.374830 0.245844 Ca\n0.726417 0.375170 0.744987 Ca\n0.725912 0.875170 0.245844 Ca\n0.726417 0.874830 0.744988 Ca\n0.274215 0.125000 0.253982 Ca\n0.274395 0.125000 0.753788 Ca\n0.274161 0.625000 0.255544 Ca\n0.272884 0.625000 0.751847 Ca\n0.769257 0.125000 0.255179 Ca\n0.769210 0.125000 0.754772 Ca\n0.769063 0.625000 0.254604 Ca\n0.772952 0.625000 0.755124 Ca\n0.998665 0.999905 0.250073 Ti\n0.998436 0.999246 0.749773 Ti\n0.998884 0.499766 0.250407 Ti\n0.251226 0.999832 0.000057 Ti\n0.251063 0.999308 0.500768 Ti\n0.250744 0.499978 0.999217 Ti\n0.251226 0.250168 0.000057 Ti\n0.251063 0.250692 0.500768 Ti\n0.250744 0.750022 0.999217 Ti\n0.998665 0.250095 0.250073 Ti\n0.998436 0.250754 0.749773 Ti\n0.998884 0.750234 0.250407 Ti\n0.000790 0.501361 0.749645 Mn\n0.501517 0.000255 0.251713 Mn\n0.501688 0.000074 0.751608 Mn\n0.500366 0.499519 0.251483 Mn\n0.501552 0.500723 0.750009 Mn\n0.251805 0.501287 0.498889 Mn\n0.748353 0.999842 0.001730 Mn\n0.748312 0.999650 0.501614 Mn\n0.748522 0.499313 0.000202 Mn\n0.750097 0.500546 0.501880 Mn\n0.251805 0.748713 0.498889 Mn\n0.748353 0.250158 0.001730 Mn\n0.748312 0.250350 0.501614 Mn\n0.748522 0.750687 0.000202 Mn\n0.750097 0.749454 0.501880 Mn\n0.000790 0.748639 0.749645 Mn\n0.501517 0.249745 0.251713 Mn\n0.501688 0.249926 0.751608 Mn\n0.500366 0.750481 0.251483 Mn\n0.501552 0.749277 0.750009 Mn\n0.105064 0.270283 0.103893 O\n0.104981 0.269615 0.603688 O\n0.105612 0.770235 0.104917 O\n0.104235 0.770246 0.602553 O\n0.602890 0.270430 0.102455 O\n0.602732 0.270504 0.602349 O\n0.602891 0.770297 0.102634 O\n0.603890 0.770300 0.602940 O\n0.397207 0.230867 0.393977 O\n0.397621 0.230224 0.893945 O\n0.397075 0.728881 0.397264 O\n0.396661 0.730250 0.893136 O\n0.892715 0.230788 0.397511 O\n0.893039 0.231292 0.897539 O\n0.892525 0.730504 0.397341 O\n0.896298 0.729672 0.897472 O\n0.145210 0.230234 0.354053 O\n0.144225 0.230350 0.853703 O\n0.146719 0.730028 0.355563 O\n0.143532 0.729733 0.852666 O\n0.647035 0.229624 0.352405 O\n0.647132 0.229580 0.852582 O\n0.646285 0.729668 0.352804 O\n0.646730 0.729455 0.852669 O\n0.357233 0.269163 0.147641 O\n0.356963 0.268824 0.647664 O\n0.356722 0.769489 0.147265 O\n0.354266 0.770151 0.646899 O\n0.852301 0.269775 0.143862 O\n0.852427 0.269441 0.643880 O\n0.852887 0.769710 0.143960 O\n0.853856 0.770784 0.647342 O\n0.356722 0.480510 0.147265 O\n0.354266 0.479848 0.646899 O\n0.357233 0.980836 0.147641 O\n0.356963 0.981175 0.647664 O\n0.852888 0.480289 0.143960 O\n0.853857 0.479215 0.647341 O\n0.852301 0.980224 0.143862 O\n0.852427 0.980558 0.643880 O\n0.145210 0.019765 0.354053 O\n0.144225 0.019649 0.853703 O\n0.146719 0.519971 0.355563 O\n0.143532 0.520266 0.852666 O\n0.647034 0.020375 0.352405 O\n0.647131 0.020419 0.852582 O\n0.646284 0.520331 0.352804 O\n0.646729 0.520544 0.852669 O\n0.397207 0.019132 0.393977 O\n0.397621 0.019775 0.893945 O\n0.397075 0.521118 0.397264 O\n0.396661 0.519749 0.893136 O\n0.892714 0.019211 0.397512 O\n0.893038 0.018707 0.897539 O\n0.892525 0.519495 0.397341 O\n0.896298 0.520327 0.897472 O\n0.105612 0.479764 0.104918 O\n0.104235 0.479753 0.602553 O\n0.105064 0.979716 0.103893 O\n0.104981 0.980384 0.603688 O\n0.602891 0.479702 0.102633 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O\n0.760137 0.874769 0.460649 O\n0.759538 0.875007 0.960123 O\n",
            "nsites": 160,
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            "elements": [
                "Ca",
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            "chemical_system": "Ca-Mn-O-Ti",
            "density": 4.209338306283954,
            "density_atomic": 0.09029907978084213,
            "volume": 1771.8895960880614,
            "volume_molar": 6.669105349263657,
            "formula_full": "Ca32 Ti12 Mn20 O96",
            "formula_reduced": "Ca8Ti3Mn5O24",
            "formula_anonymous": "A3B5C8D24",
            "energy": -1279.7097789099998,
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            "band_gap": 0.5830000000000002,
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            "total_magnetization": 59.999949,
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            "updated_at": "2021-11-28T01:36:52.608000Z",
            "spacegroup": 6
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        {
            "id": "mp-638022",
            "created_at": "2022-09-04T14:44:26.584700Z",
            "structure_string": "Sb32 Pb40 S88\n1.0\n23.850824 0.000000 0.000000\n0.000000 8.161898 0.000000\n0.000000 4.000721 21.711562\nSb Pb S\n32 40 88\ndirect\n0.731439 0.656439 0.438350 Sb\n0.231439 0.843561 0.061650 Sb\n0.620356 0.620633 0.015138 Sb\n0.062269 0.362100 0.969114 Sb\n0.716231 0.566051 0.613364 Sb\n0.043821 0.482969 0.790428 Sb\n0.604641 0.944400 0.375961 Sb\n0.104641 0.555600 0.124039 Sb\n0.120356 0.879367 0.484862 Sb\n0.879644 0.120633 0.515138 Sb\n0.465321 0.481134 0.281723 Sb\n0.937731 0.637900 0.030886 Sb\n0.965321 0.018866 0.218277 Sb\n0.534679 0.518866 0.718277 Sb\n0.562269 0.137900 0.530886 Sb\n0.437731 0.862100 0.469114 Sb\n0.456179 0.982969 0.290428 Sb\n0.309527 0.937645 0.369538 Sb\n0.956179 0.517031 0.209572 Sb\n0.809527 0.562355 0.130462 Sb\n0.190473 0.437645 0.869538 Sb\n0.690473 0.062355 0.630462 Sb\n0.768561 0.156439 0.938350 Sb\n0.543821 0.017031 0.709572 Sb\n0.268561 0.343561 0.561650 Sb\n0.395359 0.055600 0.624039 Sb\n0.034679 0.981134 0.781723 Sb\n0.283769 0.433949 0.386636 Sb\n0.783769 0.066051 0.113364 Sb\n0.379644 0.379367 0.984862 Sb\n0.895359 0.444400 0.875961 Sb\n0.216231 0.933949 0.886636 Sb\n0.839782 0.281779 0.691827 Pb\n0.069595 0.897210 0.953010 Pb\n0.677519 0.730187 0.791308 Pb\n0.930405 0.102790 0.046990 Pb\n0.838646 0.774108 0.693530 Pb\n0.661354 0.274108 0.193530 Pb\n0.569595 0.602790 0.546990 Pb\n0.500231 0.179539 0.877181 Pb\n0.094935 0.072144 0.131073 Pb\n0.233020 0.356659 0.040379 Pb\n0.161354 0.225892 0.306470 Pb\n0.266980 0.856659 0.540379 Pb\n0.322481 0.269813 0.208692 Pb\n0.999840 0.186947 0.388702 Pb\n0.499769 0.820461 0.122819 Pb\n0.160218 0.718221 0.308173 Pb\n0.999769 0.679539 0.377181 Pb\n0.430405 0.397210 0.453010 Pb\n0.766980 0.643341 0.959621 Pb\n0.000231 0.320461 0.622819 Pb\n0.339782 0.218221 0.808173 Pb\n0.674965 0.226728 0.795058 Pb\n0.338646 0.725892 0.806470 Pb\n0.500160 0.686947 0.888702 Pb\n0.365024 0.881801 0.985975 Pb\n0.594935 0.427856 0.368927 Pb\n0.822481 0.230187 0.291308 Pb\n0.177519 0.769813 0.708692 Pb\n0.865024 0.618199 0.514025 Pb\n0.634976 0.118199 0.014025 Pb\n0.660218 0.781779 0.191827 Pb\n0.174965 0.273272 0.704942 Pb\n0.825035 0.726728 0.295058 Pb\n0.325035 0.773272 0.204942 Pb\n0.905065 0.927856 0.868927 Pb\n0.000160 0.813053 0.611298 Pb\n0.499840 0.313053 0.111298 Pb\n0.733020 0.143341 0.459621 Pb\n0.405065 0.572144 0.631073 Pb\n0.134976 0.381801 0.485975 Pb\n0.914643 0.555508 0.631940 S\n0.444321 0.141479 0.014073 S\n0.633917 0.370406 0.488938 S\n0.911841 0.972501 0.314406 S\n0.908314 0.064848 0.626150 S\n0.251181 0.483428 0.278264 S\n0.973251 0.757323 0.754737 S\n0.280224 0.689364 0.919129 S\n0.588159 0.472501 0.814406 S\n0.328564 0.286459 0.656187 S\n0.375002 0.734472 0.332728 S\n0.472862 0.267601 0.748383 S\n0.439407 0.601806 0.011278 S\n0.408314 0.435152 0.873850 S\n0.249471 0.987978 0.276790 S\n0.527138 0.732399 0.251617 S\n0.751181 0.016572 0.221736 S\n0.793209 0.447020 0.402179 S\n0.375255 0.185093 0.326918 S\n0.750529 0.012022 0.723210 S\n0.473251 0.742677 0.745263 S\n0.780224 0.810636 0.580871 S\n0.972862 0.232399 0.751617 S\n0.987164 0.171642 0.935007 S\n0.055679 0.641479 0.514073 S\n0.171436 0.786459 0.156187 S\n0.327274 0.813886 0.654346 S\n0.875255 0.314907 0.173082 S\n0.719776 0.310636 0.080871 S\n0.480945 0.851691 0.571372 S\n0.091686 0.935152 0.373850 S\n0.671436 0.713541 0.343813 S\n0.828564 0.213541 0.843813 S\n0.295383 0.605992 0.094326 S\n0.672726 0.186114 0.345654 S\n0.584300 0.969773 0.813427 S\n0.085357 0.444492 0.368060 S\n0.411841 0.527499 0.185594 S\n0.980945 0.648309 0.928628 S\n0.124998 0.234472 0.832728 S\n0.749471 0.512022 0.223210 S\n0.206791 0.552980 0.597821 S\n0.084300 0.530227 0.686573 S\n0.276602 0.156331 0.916783 S\n0.866083 0.870406 0.988938 S\n0.414643 0.944492 0.868060 S\n0.939407 0.898194 0.488722 S\n0.223398 0.656331 0.416783 S\n0.723398 0.843669 0.083217 S\n0.248819 0.983428 0.778264 S\n0.133917 0.129594 0.011062 S\n0.293209 0.052980 0.097821 S\n0.915700 0.469773 0.313427 S\n0.860577 0.389407 0.982163 S\n0.012836 0.828358 0.064993 S\n0.026749 0.242677 0.245263 S\n0.219776 0.189364 0.419129 S\n0.415700 0.030227 0.186573 S\n0.519055 0.148309 0.428628 S\n0.366083 0.629594 0.511062 S\n0.487164 0.328358 0.564993 S\n0.360577 0.110593 0.517837 S\n0.624998 0.265528 0.667272 S\n0.512836 0.671642 0.435007 S\n0.250529 0.487978 0.776790 S\n0.776602 0.343669 0.583217 S\n0.875002 0.765528 0.167272 S\n0.555679 0.858521 0.985927 S\n0.827274 0.686114 0.845654 S\n0.560593 0.398194 0.988722 S\n0.019055 0.351691 0.071372 S\n0.172726 0.313886 0.154346 S\n0.639423 0.889407 0.482163 S\n0.706791 0.947020 0.902179 S\n0.204617 0.105992 0.594326 S\n0.526749 0.257323 0.254737 S\n0.624745 0.814907 0.673082 S\n0.944321 0.358521 0.485927 S\n0.027138 0.767601 0.248383 S\n0.704617 0.394008 0.905674 S\n0.795383 0.894008 0.405674 S\n0.585357 0.055508 0.131940 S\n0.088159 0.027499 0.685594 S\n0.124745 0.685093 0.826918 S\n0.060593 0.101806 0.511278 S\n0.748819 0.516572 0.721736 S\n0.591686 0.564848 0.126150 S\n0.139423 0.610593 0.017837 S\n",
            "nsites": 160,
            "nelements": 3,
            "elements": [
                "Sb",
                "Pb",
                "S"
            ],
            "chemical_system": "Pb-S-Sb",
            "density": 5.895621274928444,
            "density_atomic": 0.03785596860734932,
            "volume": 4226.5461930074025,
            "volume_molar": 15.908035064332942,
            "formula_full": "Sb32 Pb40 S88",
            "formula_reduced": "Sb4Pb5S11",
            "formula_anonymous": "A4B5C11",
            "energy": -750.54174579,
            "energy_per_atom": -4.6908859111875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -706.27774579,
            "band_gap": 1.3758,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.000352,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:35.016000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1217808",
            "created_at": "2022-09-04T14:40:57.090572Z",
            "structure_string": "V30 Cu34 O95\n1.0\n-6.479402 11.222653 -0.000000\n-6.479402 -11.222653 0.000000\n0.000000 7.481769 12.104188\nV Cu O\n30 34 95\ndirect\n0.084043 0.799003 0.803451 V\n0.684014 0.198761 0.003246 V\n0.285469 0.597134 0.200983 V\n0.884175 0.998923 0.403344 V\n0.480867 0.404688 0.609324 V\n0.314498 0.519133 0.609324 V\n0.911508 0.915957 0.803451 V\n0.511501 0.315986 0.003246 V\n0.110682 0.714531 0.200983 V\n0.711405 0.115825 0.403344 V\n0.001077 0.288595 0.403344 V\n0.595312 0.685502 0.609324 V\n0.200997 0.088492 0.803451 V\n0.801239 0.488499 0.003246 V\n0.402866 0.889318 0.200983 V\n0.915825 0.201077 0.196656 V\n0.514531 0.602866 0.399017 V\n0.115986 0.001239 0.596754 V\n0.715957 0.400997 0.796549 V\n0.319133 0.795312 0.990676 V\n0.689318 0.485469 0.399017 V\n0.288499 0.884014 0.596754 V\n0.888492 0.284043 0.796549 V\n0.485502 0.680867 0.990676 V\n0.088595 0.084175 0.196656 V\n0.998761 0.711501 0.596754 V\n0.599003 0.111508 0.796549 V\n0.204688 0.514498 0.990676 V\n0.798923 0.911405 0.196656 V\n0.397134 0.310682 0.399017 V\n0.999878 0.000122 0.000367 Cu\n0.599501 0.400499 0.201497 Cu\n0.200499 0.799501 0.398503 Cu\n0.800122 0.199878 0.599633 Cu\n0.502583 0.179394 0.656872 Cu\n0.104160 0.579019 0.857011 Cu\n0.701401 0.977812 0.057254 Cu\n0.303435 0.379150 0.257753 Cu\n0.901894 0.778135 0.457297 Cu\n0.219157 0.298599 0.057254 Cu\n0.817962 0.696565 0.257753 Cu\n0.418944 0.098106 0.457297 Cu\n0.019939 0.497417 0.656872 Cu\n0.617848 0.895840 0.857011 Cu\n0.420981 0.382152 0.857011 Cu\n0.022188 0.780843 0.057254 Cu\n0.620850 0.182038 0.257753 Cu\n0.221865 0.581056 0.457297 Cu\n0.820606 0.980061 0.656872 Cu\n0.898106 0.421865 0.142703 Cu\n0.496565 0.820850 0.342247 Cu\n0.098599 0.222188 0.542746 Cu\n0.695840 0.620981 0.742989 Cu\n0.297417 0.020606 0.943128 Cu\n0.182152 0.304160 0.742989 Cu\n0.780061 0.702583 0.943128 Cu\n0.381056 0.101894 0.142703 Cu\n0.982038 0.503435 0.342247 Cu\n0.580843 0.901401 0.542746 Cu\n0.979394 0.219939 0.943128 Cu\n0.578135 0.618944 0.142703 Cu\n0.179150 0.017962 0.342247 Cu\n0.777812 0.419157 0.542746 Cu\n0.379019 0.817848 0.742989 Cu\n0.900000 0.100000 0.300000 O\n0.500281 0.499719 0.499157 O\n0.100023 0.899977 0.699932 O\n0.699977 0.300023 0.900068 O\n0.299719 0.700281 0.100843 O\n0.821229 0.269648 0.483148 O\n0.423238 0.670676 0.678079 O\n0.021364 0.069504 0.882893 O\n0.621110 0.469469 0.083755 O\n0.220394 0.868922 0.284937 O\n0.569359 0.576762 0.678079 O\n0.165247 0.978636 0.882893 O\n0.764605 0.378890 0.083755 O\n0.363591 0.779606 0.284937 O\n0.965270 0.178771 0.483148 O\n0.930496 0.834753 0.882893 O\n0.530531 0.235395 0.083755 O\n0.131078 0.636409 0.284937 O\n0.730352 0.034730 0.483148 O\n0.329324 0.430641 0.678079 O\n0.178890 0.730530 0.516245 O\n0.778636 0.130496 0.717107 O\n0.376762 0.529324 0.921921 O\n0.978771 0.930352 0.116852 O\n0.579606 0.331078 0.315063 O\n0.436409 0.420394 0.315063 O\n0.035395 0.821110 0.516245 O\n0.634753 0.221364 0.717107 O\n0.230641 0.623238 0.921921 O\n0.834730 0.021229 0.116852 O\n0.069648 0.165270 0.116852 O\n0.668922 0.563591 0.315063 O\n0.269469 0.964605 0.516245 O\n0.869504 0.365247 0.717107 O\n0.470676 0.769359 0.921921 O\n0.987528 0.338921 0.303346 O\n0.589096 0.737969 0.501677 O\n0.187503 0.138914 0.703268 O\n0.787473 0.538805 0.903426 O\n0.385512 0.937454 0.103952 O\n0.647196 0.410904 0.501677 O\n0.248143 0.812497 0.703268 O\n0.847906 0.212527 0.903426 O\n0.447990 0.614488 0.103952 O\n0.048047 0.012472 0.303346 O\n0.861086 0.751857 0.703268 O\n0.461195 0.152094 0.903426 O\n0.062546 0.552010 0.103952 O\n0.661079 0.951953 0.303346 O\n0.262031 0.352804 0.501677 O\n0.012527 0.661195 0.696574 O\n0.612497 0.061086 0.896732 O\n0.210904 0.462031 0.098323 O\n0.812472 0.861079 0.296654 O\n0.414488 0.262546 0.496048 O\n0.352010 0.585512 0.496048 O\n0.952094 0.987473 0.696574 O\n0.551857 0.387503 0.896732 O\n0.152804 0.789096 0.098323 O\n0.751953 0.187528 0.296654 O\n0.138921 0.248047 0.296654 O\n0.737454 0.647990 0.496048 O\n0.338805 0.047906 0.696574 O\n0.938914 0.448143 0.896732 O\n0.537969 0.847196 0.098323 O\n0.271020 0.530738 0.289763 O\n0.871127 0.931362 0.490117 O\n0.470518 0.331897 0.690751 O\n0.070600 0.730990 0.890034 O\n0.671157 0.130923 0.089670 O\n0.170629 0.529482 0.690751 O\n0.770356 0.929400 0.890034 O\n0.370097 0.328843 0.089670 O\n0.969955 0.728980 0.289763 O\n0.570118 0.128873 0.490117 O\n0.068638 0.429882 0.490117 O\n0.668103 0.829371 0.690751 O\n0.269010 0.229644 0.890034 O\n0.869077 0.629903 0.089670 O\n0.469262 0.030045 0.289763 O\n0.729400 0.469010 0.709966 O\n0.329482 0.868103 0.909249 O\n0.928873 0.268638 0.109883 O\n0.528980 0.669262 0.310237 O\n0.128843 0.069077 0.510330 O\n0.830045 0.471020 0.310237 O\n0.429903 0.871157 0.510330 O\n0.029644 0.270600 0.709966 O\n0.629371 0.670518 0.909249 O\n0.229882 0.071127 0.109883 O\n0.930923 0.570097 0.510330 O\n0.530990 0.970356 0.709966 O\n0.131897 0.370629 0.909249 O\n0.731362 0.770118 0.109883 O\n0.330738 0.169955 0.310237 O\n",
            "nsites": 159,
            "nelements": 3,
            "elements": [
                "V",
                "Cu",
                "O"
            ],
            "chemical_system": "Cu-O-V",
            "density": 4.913451358607312,
            "density_atomic": 0.09032355193256164,
            "volume": 1760.3382129913837,
            "volume_molar": 6.667298430088663,
            "formula_full": "V30 Cu34 O95",
            "formula_reduced": "V30Cu34O95",
            "formula_anonymous": "A30B34C95",
            "energy": -1163.9301325400002,
            "energy_per_atom": -7.3203152989937115,
            "energy_above_hull": null,
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            "energy_uncorrected": -1047.66513254,
            "band_gap": 0.0376000000000003,
            "is_gap_direct": false,
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            "total_magnetization": 5.998805,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:59.529000Z",
            "spacegroup": 148
        }
    ]
}