GET /third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=91
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_theoretical&page=92",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=90",
    "results": [
        {
            "id": "mp-558317",
            "created_at": "2022-09-04T14:42:14.623244Z",
            "structure_string": "K2 Na2 Pr2 Nb2 O10\n1.0\n5.816846 0.000000 0.000000\n0.000000 5.816846 0.000000\n0.000000 0.000000 8.391762\nK Na Pr Nb O\n2 2 2 2 10\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.758905 Na\n0.000000 0.500000 0.241095 Na\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.500000 0.743702 Nb\n0.500000 0.000000 0.256298 Nb\n0.730143 0.230143 0.328265 O\n0.769857 0.730143 0.671735 O\n0.730143 0.769857 0.328265 O\n0.769857 0.269857 0.671735 O\n0.269857 0.230143 0.328265 O\n0.500000 0.000000 0.033598 O\n0.000000 0.500000 0.966402 O\n0.269857 0.769857 0.328265 O\n0.230143 0.269857 0.671735 O\n0.230143 0.730143 0.671735 O\n",
            "nsites": 18,
            "nelements": 5,
            "elements": [
                "K",
                "Na",
                "Pr",
                "Nb",
                "O"
            ],
            "chemical_system": "K-Na-Nb-O-Pr",
            "density": 4.39665195638924,
            "density_atomic": 0.06339342475832767,
            "volume": 283.9411195817344,
            "volume_molar": 9.499629942628873,
            "formula_full": "K2 Na2 Pr2 Nb2 O10",
            "formula_reduced": "KNaPrNbO5",
            "formula_anonymous": "ABCDE5",
            "energy": -138.08486565,
            "energy_per_atom": -7.671381425000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -131.21486565,
            "band_gap": 3.4049,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000711,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:40.078000Z",
            "spacegroup": 129
        },
        {
            "id": "mp-18918",
            "created_at": "2022-09-04T14:42:14.658641Z",
            "structure_string": "Zn2 W2 O8\n1.0\n5.855302 0.000000 0.000000\n0.000000 4.759130 0.000000\n0.000000 0.158612 5.015376\nZn W O\n2 2 8\ndirect\n0.678000 0.500000 0.250000 Zn\n0.322000 0.500000 0.750000 Zn\n0.174383 0.000000 0.250000 W\n0.825617 0.000000 0.750000 W\n0.106505 0.785049 0.934643 O\n0.106505 0.214951 0.565357 O\n0.893495 0.214951 0.065357 O\n0.893495 0.785049 0.434643 O\n0.370401 0.742158 0.405064 O\n0.370401 0.257842 0.094936 O\n0.629599 0.257842 0.594936 O\n0.629599 0.742158 0.905064 O\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Zn",
                "W",
                "O"
            ],
            "chemical_system": "O-W-Zn",
            "density": 7.4436354199830195,
            "density_atomic": 0.08586197637404634,
            "volume": 139.75918685733004,
            "volume_molar": 7.013745797983196,
            "formula_full": "Zn2 W2 O8",
            "formula_reduced": "ZnWO4",
            "formula_anonymous": "ABC4",
            "energy": -92.681358,
            "energy_per_atom": -7.7234465000000005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -78.309358,
            "band_gap": 3.0313,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002969,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:37.644000Z",
            "spacegroup": 13
        },
        {
            "id": "mp-1200007",
            "created_at": "2022-09-04T14:42:14.668152Z",
            "structure_string": "Rb8 Fe8 As8 O36\n1.0\n5.883473 0.000000 0.000000\n0.000000 8.703033 0.000000\n0.000000 0.000000 19.109464\nRb Fe As O\n8 8 8 36\ndirect\n0.250000 0.888671 0.138499 Rb\n0.250000 0.388671 0.361501 Rb\n0.750000 0.111329 0.861501 Rb\n0.750000 0.611329 0.638499 Rb\n0.250000 0.006312 0.724927 Rb\n0.250000 0.506312 0.775073 Rb\n0.750000 0.993688 0.275073 Rb\n0.750000 0.493688 0.224927 Rb\n0.250000 0.284807 0.561621 Fe\n0.250000 0.784807 0.938379 Fe\n0.750000 0.715193 0.438379 Fe\n0.750000 0.215193 0.061621 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.250000 0.818367 0.359694 As\n0.250000 0.318367 0.140306 As\n0.750000 0.181633 0.640306 As\n0.750000 0.681633 0.859694 As\n0.250000 0.678275 0.556117 As\n0.250000 0.178275 0.943883 As\n0.750000 0.321725 0.443883 As\n0.750000 0.821725 0.056117 As\n0.250000 0.057779 0.562394 O\n0.250000 0.557779 0.937606 O\n0.750000 0.942221 0.437606 O\n0.750000 0.442221 0.062394 O\n0.250000 0.960712 0.425848 O\n0.250000 0.460712 0.074152 O\n0.750000 0.039288 0.574152 O\n0.750000 0.539288 0.925848 O\n0.007560 0.767513 0.521535 O\n0.492440 0.267513 0.978465 O\n0.507560 0.232487 0.478465 O\n0.992440 0.732487 0.021535 O\n0.992440 0.232487 0.478465 O\n0.507560 0.732487 0.021535 O\n0.492440 0.767513 0.521535 O\n0.007560 0.267513 0.978465 O\n0.250000 0.493203 0.526065 O\n0.250000 0.993203 0.973935 O\n0.750000 0.506797 0.473935 O\n0.750000 0.006797 0.026065 O\n0.009884 0.702633 0.368161 O\n0.490116 0.202633 0.131839 O\n0.509884 0.297367 0.631839 O\n0.990116 0.797367 0.868161 O\n0.990116 0.297367 0.631839 O\n0.509884 0.797367 0.868161 O\n0.490116 0.702633 0.368161 O\n0.009884 0.202633 0.131839 O\n0.250000 0.691633 0.644167 O\n0.250000 0.191633 0.855833 O\n0.750000 0.308367 0.355833 O\n0.750000 0.808367 0.144167 O\n0.250000 0.909224 0.282295 O\n0.250000 0.409224 0.217705 O\n0.750000 0.090776 0.717705 O\n0.750000 0.590776 0.782295 O\n",
            "nsites": 60,
            "nelements": 4,
            "elements": [
                "Rb",
                "Fe",
                "As",
                "O"
            ],
            "chemical_system": "As-Fe-O-Rb",
            "density": 3.9131628956233944,
            "density_atomic": 0.06131946394792031,
            "volume": 978.4821349866829,
            "volume_molar": 9.820928580058544,
            "formula_full": "Rb8 Fe8 As8 O36",
            "formula_reduced": "Rb2Fe2As2O9",
            "formula_anonymous": "A2B2C2D9",
            "energy": -403.38878713,
            "energy_per_atom": -6.7231464521666675,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -360.60878713,
            "band_gap": 1.6391,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 39.9995924,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:39.885000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-733998",
            "created_at": "2022-09-04T14:42:14.683209Z",
            "structure_string": "Tb4 H48 S8 N4 O48\n1.0\n19.189640 0.000000 0.000000\n0.000000 6.584845 0.000000\n0.000000 0.921113 8.584082\nTb H S N O\n4 48 8 4 48\ndirect\n0.622798 0.846249 0.290634 Tb\n0.122798 0.153751 0.209366 Tb\n0.377202 0.153751 0.709366 Tb\n0.877202 0.846249 0.790634 Tb\n0.526396 0.723195 0.011888 H\n0.026396 0.276805 0.488112 H\n0.473604 0.276805 0.988112 H\n0.973604 0.723195 0.511888 H\n0.589384 0.863728 0.956073 H\n0.089384 0.136272 0.543927 H\n0.410616 0.136272 0.043927 H\n0.910616 0.863728 0.456073 H\n0.637850 0.814127 0.651725 H\n0.137850 0.185873 0.848275 H\n0.362150 0.185873 0.348275 H\n0.862150 0.814127 0.151725 H\n0.567438 0.708678 0.616387 H\n0.067438 0.291322 0.883613 H\n0.432562 0.291322 0.383613 H\n0.932562 0.708678 0.116387 H\n0.589666 0.471474 0.842195 H\n0.089666 0.528526 0.657805 H\n0.410334 0.528526 0.157805 H\n0.910334 0.471474 0.342195 H\n0.609604 0.264967 0.939733 H\n0.109604 0.735033 0.560267 H\n0.390396 0.735033 0.060267 H\n0.890396 0.264967 0.439733 H\n0.468100 0.754749 0.267812 H\n0.968100 0.245251 0.232188 H\n0.531900 0.245251 0.732188 H\n0.031900 0.754749 0.767812 H\n0.478023 0.823017 0.435994 H\n0.978023 0.176983 0.064006 H\n0.521977 0.176983 0.564006 H\n0.021977 0.823017 0.935994 H\n0.676237 0.336859 0.689029 H\n0.176237 0.663141 0.810971 H\n0.323763 0.663141 0.310971 H\n0.823763 0.336859 0.189029 H\n0.761377 0.383952 0.704149 H\n0.261377 0.616048 0.795851 H\n0.238623 0.616048 0.295851 H\n0.738623 0.383952 0.204149 H\n0.734821 0.211954 0.586376 H\n0.234821 0.788046 0.913624 H\n0.265179 0.788046 0.413624 H\n0.765179 0.211954 0.086376 H\n0.722073 0.464570 0.535007 H\n0.222073 0.535430 0.964993 H\n0.277927 0.535430 0.464993 H\n0.777927 0.464570 0.035007 H\n0.775382 0.865583 0.419613 S\n0.275382 0.134417 0.080387 S\n0.224618 0.134417 0.580387 S\n0.724618 0.865583 0.919613 S\n0.576003 0.304662 0.264043 S\n0.076003 0.695338 0.235957 S\n0.423997 0.695338 0.735957 S\n0.923997 0.304662 0.764043 S\n0.723201 0.348641 0.627765 N\n0.223201 0.651359 0.872235 N\n0.276799 0.651359 0.372235 N\n0.776799 0.348641 0.127765 N\n0.838757 0.904355 0.322400 O\n0.338757 0.095645 0.177600 O\n0.161243 0.095645 0.677600 O\n0.661243 0.904355 0.822400 O\n0.794444 0.857903 0.586456 O\n0.294444 0.142097 0.913544 O\n0.205556 0.142097 0.413544 O\n0.705556 0.857903 0.086456 O\n0.722589 0.032580 0.383171 O\n0.222589 0.967420 0.116829 O\n0.277411 0.967420 0.616829 O\n0.777411 0.032580 0.883171 O\n0.739667 0.672288 0.387192 O\n0.239667 0.327712 0.112808 O\n0.260333 0.327712 0.612808 O\n0.760333 0.672288 0.887192 O\n0.618673 0.489763 0.280849 O\n0.118673 0.510237 0.219151 O\n0.381327 0.510237 0.719151 O\n0.881327 0.489763 0.780849 O\n0.503409 0.358449 0.221642 O\n0.003409 0.641551 0.278358 O\n0.496591 0.641551 0.778358 O\n0.996591 0.358449 0.721642 O\n0.609695 0.187107 0.143088 O\n0.109695 0.812893 0.356912 O\n0.390305 0.812893 0.856912 O\n0.890305 0.187107 0.643088 O\n0.579112 0.160170 0.410597 O\n0.079112 0.839830 0.089403 O\n0.420888 0.839830 0.589403 O\n0.920888 0.160170 0.910597 O\n0.561562 0.813625 0.048773 O\n0.061562 0.186375 0.451227 O\n0.438438 0.186375 0.951227 O\n0.938438 0.813625 0.548773 O\n0.613079 0.746748 0.569414 O\n0.113079 0.253252 0.930586 O\n0.386921 0.253252 0.430586 O\n0.886921 0.746748 0.069414 O\n0.602843 0.330263 0.831409 O\n0.102843 0.669737 0.668591 O\n0.397157 0.669737 0.168591 O\n0.897157 0.330263 0.331409 O\n0.504026 0.796851 0.341021 O\n0.004026 0.203149 0.158979 O\n0.495974 0.203149 0.658979 O\n0.995974 0.796851 0.841021 O\n",
            "nsites": 112,
            "nelements": 5,
            "elements": [
                "Tb",
                "H",
                "S",
                "N",
                "O"
            ],
            "chemical_system": "H-N-O-S-Tb",
            "density": 2.701402259209679,
            "density_atomic": 0.10325516405923083,
            "volume": 1084.6915117557978,
            "volume_molar": 5.832290147295187,
            "formula_full": "Tb4 H48 S8 N4 O48",
            "formula_reduced": "TbH12S2NO12",
            "formula_anonymous": "ABC2D12E12",
            "energy": -668.03377742,
            "energy_per_atom": -5.964587298392857,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -633.61377742,
            "band_gap": 5.1748,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 9.09e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:43.510000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-6174",
            "created_at": "2022-09-04T14:42:14.796701Z",
            "structure_string": "Mg4 Al8 Si10 O36\n1.0\n4.915120 -8.633584 0.000000\n4.915120 8.633584 0.000000\n0.000000 0.000000 9.440160\nMg Al Si O\n4 8 10 36\ndirect\n0.337469 0.662531 0.250000 Mg\n0.662531 0.337469 0.250000 Mg\n0.662531 0.337469 0.750000 Mg\n0.337469 0.662531 0.750000 Mg\n0.000000 0.500000 0.249924 Al\n0.500000 0.000000 0.250076 Al\n0.500000 0.000000 0.749924 Al\n0.000000 0.500000 0.750076 Al\n0.257615 0.358387 0.500000 Al\n0.742385 0.641613 0.500000 Al\n0.358387 0.257615 0.000000 Al\n0.641613 0.742385 0.000000 Al\n0.113488 0.729109 0.500000 Si\n0.886512 0.270891 0.500000 Si\n0.270891 0.886512 0.000000 Si\n0.729109 0.113488 0.000000 Si\n0.500000 0.500000 0.750000 Si\n0.500000 0.500000 0.250000 Si\n0.898461 0.627906 0.000000 Si\n0.101539 0.372094 0.000000 Si\n0.627906 0.898461 0.500000 Si\n0.372094 0.101539 0.500000 Si\n0.353793 0.478727 0.348938 O\n0.136589 0.483457 0.858195 O\n0.483457 0.136589 0.358195 O\n0.516543 0.863411 0.358195 O\n0.243006 0.914582 0.500000 O\n0.756994 0.085418 0.500000 O\n0.914582 0.243006 0.000000 O\n0.085418 0.756994 0.000000 O\n0.291905 0.205022 0.500000 O\n0.708095 0.794978 0.500000 O\n0.205022 0.291905 0.000000 O\n0.794978 0.708095 0.000000 O\n0.063193 0.307155 0.500000 O\n0.936807 0.692845 0.500000 O\n0.307155 0.063193 0.000000 O\n0.692845 0.936807 0.000000 O\n0.516543 0.863411 0.641805 O\n0.483457 0.136589 0.641805 O\n0.649901 0.144150 0.141512 O\n0.136589 0.483457 0.141805 O\n0.144150 0.649901 0.358488 O\n0.855850 0.350099 0.358488 O\n0.350099 0.855850 0.858488 O\n0.649901 0.144150 0.858488 O\n0.855850 0.350099 0.641512 O\n0.144150 0.649901 0.641512 O\n0.521273 0.646207 0.151062 O\n0.478727 0.353793 0.151062 O\n0.646207 0.521273 0.348938 O\n0.350099 0.855850 0.141512 O\n0.478727 0.353793 0.848938 O\n0.521273 0.646207 0.848938 O\n0.353793 0.478727 0.651062 O\n0.646207 0.521273 0.651062 O\n0.863411 0.516543 0.141805 O\n0.863411 0.516543 0.858195 O\n",
            "nsites": 58,
            "nelements": 4,
            "elements": [
                "Mg",
                "Al",
                "Si",
                "O"
            ],
            "chemical_system": "Al-Mg-O-Si",
            "density": 2.4247410371781166,
            "density_atomic": 0.07239247062420262,
            "volume": 801.1882934771554,
            "volume_molar": 8.31873910100624,
            "formula_full": "Mg4 Al8 Si10 O36",
            "formula_reduced": "Mg2Al4Si5O18",
            "formula_anonymous": "A2B4C5D18",
            "energy": -462.06159832,
            "energy_per_atom": -7.9665792813793095,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -437.32959832,
            "band_gap": 4.8175,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0038276,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:38.764000Z",
            "spacegroup": 66
        },
        {
            "id": "mp-504426",
            "created_at": "2022-09-04T14:42:14.348597Z",
            "structure_string": "Li4 H20 S4 N8 O16\n1.0\n5.137291 0.000000 0.000000\n0.000000 9.161966 0.000000\n0.000000 0.000000 10.052383\nLi H S N O\n4 20 4 8 16\ndirect\n0.747600 0.564855 0.331240 Li\n0.247600 0.435145 0.668760 Li\n0.747600 0.935145 0.831240 Li\n0.247600 0.064855 0.168760 Li\n0.231779 0.614685 0.118419 H\n0.731779 0.385315 0.881581 H\n0.231779 0.885315 0.618419 H\n0.731779 0.114685 0.381581 H\n0.436843 0.531147 0.014287 H\n0.936843 0.468853 0.985713 H\n0.436843 0.968853 0.514287 H\n0.936843 0.031147 0.485713 H\n0.312237 0.818061 0.343057 H\n0.812237 0.181939 0.656943 H\n0.312237 0.681939 0.843057 H\n0.812237 0.318061 0.156943 H\n0.082024 0.740107 0.443610 H\n0.582024 0.259893 0.556390 H\n0.082024 0.759893 0.943610 H\n0.582024 0.240107 0.056390 H\n0.406201 0.715345 0.473086 H\n0.906201 0.284655 0.526914 H\n0.406201 0.784655 0.973086 H\n0.906201 0.215345 0.026914 H\n0.745384 0.867734 0.158350 S\n0.245384 0.132266 0.841650 S\n0.745384 0.632266 0.658350 S\n0.245384 0.367734 0.341650 S\n0.255438 0.581236 0.021721 N\n0.755438 0.418764 0.978279 N\n0.255438 0.918764 0.521721 N\n0.755438 0.081236 0.478279 N\n0.264922 0.788792 0.440800 N\n0.764922 0.211208 0.559200 N\n0.264922 0.711208 0.940800 N\n0.764922 0.288792 0.059200 N\n0.462457 0.888086 0.191982 O\n0.962457 0.111914 0.808018 O\n0.462457 0.611914 0.691982 O\n0.962457 0.388086 0.308018 O\n0.764127 0.842252 0.010533 O\n0.264127 0.157748 0.989467 O\n0.764127 0.657748 0.510533 O\n0.264127 0.342252 0.489467 O\n0.850321 0.738831 0.228913 O\n0.350321 0.261169 0.771087 O\n0.850321 0.761169 0.728913 O\n0.350321 0.238831 0.271087 O\n0.390568 0.502107 0.305562 O\n0.890568 0.497893 0.694438 O\n0.390568 0.997893 0.805562 O\n0.890568 0.002107 0.194438 O\n",
            "nsites": 52,
            "nelements": 5,
            "elements": [
                "Li",
                "H",
                "S",
                "N",
                "O"
            ],
            "chemical_system": "H-Li-N-O-S",
            "density": 1.9100166461302461,
            "density_atomic": 0.10990348752533877,
            "volume": 473.14240130925015,
            "volume_molar": 5.479481038862909,
            "formula_full": "Li4 H20 S4 N8 O16",
            "formula_reduced": "LiH5S(NO2)2",
            "formula_anonymous": "ABC2D4E5",
            "energy": -300.85365913,
            "energy_per_atom": -5.785647290961538,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -286.97365913,
            "band_gap": 5.619999999999999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0024977,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:40.628000Z",
            "spacegroup": 33
        },
        {
            "id": "mp-10115",
            "created_at": "2022-09-04T14:42:14.366786Z",
            "structure_string": "Th1 B2 Ir3\n1.0\n2.745212 -4.754846 0.000000\n2.745212 4.754846 0.000000\n0.000000 0.000000 3.247741\nTh B Ir\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.500000 Ir\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "Th",
                "B",
                "Ir"
            ],
            "chemical_system": "B-Ir-Th",
            "density": 16.261709275875457,
            "density_atomic": 0.07076646838212343,
            "volume": 84.78591820636456,
            "volume_molar": 8.509878898409568,
            "formula_full": "Th1 B2 Ir3",
            "formula_reduced": "ThB2Ir3",
            "formula_anonymous": "AB2C3",
            "energy": -51.49400498,
            "energy_per_atom": -8.582334163333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -51.49400498,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0063016,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:45.484000Z",
            "spacegroup": 191
        },
        {
            "id": "mp-1182576",
            "created_at": "2022-09-04T14:42:14.408876Z",
            "structure_string": "Ba2 O20\n1.0\n5.925285 0.000000 0.000000\n0.000000 5.925285 0.000000\n0.000000 0.000000 9.556726\nBa O\n2 20\ndirect\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.500000 0.500000 0.315373 O\n0.500000 0.500000 0.815373 O\n0.500000 0.500000 0.684627 O\n0.500000 0.500000 0.184627 O\n0.106109 0.357262 0.433406 O\n0.893891 0.642738 0.433406 O\n0.642738 0.106109 0.433406 O\n0.357262 0.893891 0.433406 O\n0.893891 0.357262 0.933406 O\n0.106109 0.642738 0.933406 O\n0.357262 0.106109 0.933406 O\n0.642738 0.893891 0.933406 O\n0.893891 0.642738 0.566594 O\n0.106109 0.357262 0.566594 O\n0.357262 0.893891 0.566594 O\n0.642738 0.106109 0.566594 O\n0.106109 0.642738 0.066594 O\n0.893891 0.357262 0.066594 O\n0.642738 0.893891 0.066594 O\n0.357262 0.106109 0.066594 O\n",
            "nsites": 22,
            "nelements": 2,
            "elements": [
                "Ba",
                "O"
            ],
            "chemical_system": "Ba-O",
            "density": 2.9429105019607507,
            "density_atomic": 0.0655684711887687,
            "volume": 335.5271154128786,
            "volume_molar": 9.184506899150549,
            "formula_full": "Ba2 O20",
            "formula_reduced": "BaO10",
            "formula_anonymous": "AB10",
            "energy": -116.03170506,
            "energy_per_atom": -5.274168411818182,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -112.81170506,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0004711,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:44.545000Z",
            "spacegroup": 124
        },
        {
            "id": "mp-13673",
            "created_at": "2022-09-04T14:42:14.383390Z",
            "structure_string": "Na8 Si8 Au24\n1.0\n9.070363 0.000000 0.000000\n0.000000 9.070363 0.000000\n0.000000 0.000000 9.070363\nNa Si Au\n8 8 24\ndirect\n0.096757 0.096757 0.096757 Na\n0.403243 0.903243 0.596757 Na\n0.596757 0.403243 0.903243 Na\n0.903243 0.596757 0.403243 Na\n0.903243 0.903243 0.903243 Na\n0.596757 0.096757 0.403243 Na\n0.403243 0.596757 0.096757 Na\n0.096757 0.403243 0.596757 Na\n0.124047 0.875953 0.375953 Si\n0.875953 0.375953 0.124047 Si\n0.624047 0.624047 0.624047 Si\n0.624047 0.875953 0.124047 Si\n0.875953 0.124047 0.624047 Si\n0.124047 0.624047 0.875953 Si\n0.375953 0.375953 0.375953 Si\n0.375953 0.124047 0.875953 Si\n0.595531 0.726547 0.371462 Au\n0.726547 0.371462 0.595531 Au\n0.773453 0.628538 0.095531 Au\n0.273453 0.871462 0.904469 Au\n0.628538 0.095531 0.773453 Au\n0.595531 0.773453 0.871462 Au\n0.871462 0.595531 0.773453 Au\n0.628538 0.404469 0.273453 Au\n0.095531 0.726547 0.128538 Au\n0.128538 0.095531 0.726547 Au\n0.904469 0.226547 0.371462 Au\n0.404469 0.273453 0.628538 Au\n0.371462 0.904469 0.226547 Au\n0.273453 0.628538 0.404469 Au\n0.226547 0.371462 0.904469 Au\n0.726547 0.128538 0.095531 Au\n0.095531 0.773453 0.628538 Au\n0.871462 0.904469 0.273453 Au\n0.904469 0.273453 0.871462 Au\n0.371462 0.595531 0.726547 Au\n0.128538 0.404469 0.226547 Au\n0.404469 0.226547 0.128538 Au\n0.226547 0.128538 0.404469 Au\n0.773453 0.871462 0.595531 Au\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "Na",
                "Si",
                "Au"
            ],
            "chemical_system": "Au-Na-Si",
            "density": 11.42834073000516,
            "density_atomic": 0.053602616220276594,
            "volume": 746.2322330615824,
            "volume_molar": 11.234788867864937,
            "formula_full": "Na8 Si8 Au24",
            "formula_reduced": "NaSiAu3",
            "formula_anonymous": "ABC3",
            "energy": -142.85539421,
            "energy_per_atom": -3.57138485525,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -143.42339421,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.302611,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:41.210000Z",
            "spacegroup": 205
        },
        {
            "id": "mp-731920",
            "created_at": "2022-09-04T14:42:14.388796Z",
            "structure_string": "Tl4 As4 O16\n1.0\n4.801865 0.000000 0.000000\n0.000000 4.818742 0.000000\n0.000000 0.094967 14.381458\nTl As O\n4 4 16\ndirect\n0.481837 0.263880 0.646578 Tl\n0.981837 0.736120 0.853422 Tl\n0.518163 0.736120 0.353422 Tl\n0.018163 0.263880 0.146578 Tl\n0.981508 0.759981 0.614992 As\n0.481508 0.240019 0.885008 As\n0.018492 0.240019 0.385008 As\n0.518492 0.759981 0.114992 As\n0.221164 0.967129 0.558902 O\n0.721164 0.032871 0.941098 O\n0.778836 0.032871 0.441098 O\n0.278836 0.967129 0.058902 O\n0.756074 0.544292 0.555975 O\n0.256074 0.455708 0.944025 O\n0.243926 0.455708 0.444025 O\n0.743926 0.544292 0.055975 O\n0.163249 0.554411 0.695118 O\n0.663249 0.445589 0.804882 O\n0.836751 0.445589 0.304882 O\n0.336751 0.554411 0.195118 O\n0.788708 0.956816 0.692769 O\n0.288708 0.043184 0.807231 O\n0.211292 0.043184 0.307231 O\n0.711292 0.956816 0.192769 O\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Tl",
                "As",
                "O"
            ],
            "chemical_system": "As-O-Tl",
            "density": 6.852349678030181,
            "density_atomic": 0.07212149223282502,
            "volume": 332.7718167910669,
            "volume_molar": 8.349994673653068,
            "formula_full": "Tl4 As4 O16",
            "formula_reduced": "TlAsO4",
            "formula_anonymous": "ABC4",
            "energy": -140.45305703999998,
            "energy_per_atom": -5.852210709999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -129.46105704,
            "band_gap": 0.2977999999999996,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0028411,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:37.960000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-21527",
            "created_at": "2022-09-04T14:42:14.390332Z",
            "structure_string": "Na8 Sc4 Cu4 F28\n1.0\n7.342523 0.000000 0.000000\n0.000000 7.773026 0.000000\n0.000000 0.000000 10.639587\nNa Sc Cu F\n8 4 4 28\ndirect\n0.000000 0.500000 0.000000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.250000 0.216251 0.761629 Na\n0.250000 0.283749 0.261629 Na\n0.750000 0.716251 0.738371 Na\n0.750000 0.783749 0.238371 Na\n0.250000 0.722256 0.767616 Sc\n0.750000 0.222256 0.732384 Sc\n0.750000 0.277744 0.232384 Sc\n0.250000 0.777744 0.267616 Sc\n0.500000 0.500000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.530353 0.264311 0.621465 F\n0.030353 0.735689 0.378535 F\n0.469647 0.764311 0.878535 F\n0.969647 0.235689 0.121465 F\n0.469647 0.735689 0.378535 F\n0.969647 0.264311 0.621465 F\n0.530353 0.235689 0.121465 F\n0.030353 0.764311 0.878535 F\n0.446733 0.643985 0.643590 F\n0.946733 0.356015 0.356410 F\n0.553267 0.143985 0.856410 F\n0.053267 0.856015 0.143590 F\n0.553267 0.356015 0.356410 F\n0.053267 0.643985 0.643590 F\n0.446733 0.856015 0.143590 F\n0.946733 0.143985 0.856410 F\n0.250000 0.065006 0.966914 F\n0.750000 0.934994 0.033086 F\n0.750000 0.565006 0.533086 F\n0.250000 0.434994 0.466914 F\n0.250000 0.948359 0.671277 F\n0.750000 0.051641 0.328723 F\n0.750000 0.448359 0.828723 F\n0.250000 0.551641 0.171277 F\n0.250000 0.483179 0.855501 F\n0.750000 0.516821 0.144499 F\n0.750000 0.983179 0.644499 F\n0.250000 0.016821 0.355501 F\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "Na",
                "Sc",
                "Cu",
                "F"
            ],
            "chemical_system": "Cu-F-Na-Sc",
            "density": 3.1444292247643637,
            "density_atomic": 0.07245902240341993,
            "volume": 607.2397686381604,
            "volume_molar": 8.311098549565536,
            "formula_full": "Na8 Sc4 Cu4 F28",
            "formula_reduced": "Na2ScCuF7",
            "formula_anonymous": "ABC2D7",
            "energy": -244.33492605,
            "energy_per_atom": -5.553066501136364,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -231.39892605,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9993728,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:40.678000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-2800",
            "created_at": "2022-09-04T14:42:14.399165Z",
            "structure_string": "U1 Si3\n1.0\n4.020644 0.000000 0.000000\n0.000000 4.020644 0.000000\n0.000000 0.000000 4.020644\nU Si\n1 3\ndirect\n0.000000 0.000000 0.000000 U\n0.000000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "U",
                "Si"
            ],
            "chemical_system": "Si-U",
            "density": 8.233848645791042,
            "density_atomic": 0.061542215713239624,
            "volume": 64.99603489478324,
            "volume_molar": 9.785381774456411,
            "formula_full": "U1 Si3",
            "formula_reduced": "USi3",
            "formula_anonymous": "AB3",
            "energy": -28.85930012,
            "energy_per_atom": -7.21482503,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -29.07230012,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0013063,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:38.040000Z",
            "spacegroup": 221
        }
    ]
}