GET /third-parties/MatprojStructure/?format=api&ordering=decomposes_to&page=10176
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=decomposes_to&page=10177",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=decomposes_to&page=10175",
    "results": [
        {
            "id": "mp-780613",
            "created_at": "2022-09-04T14:39:20.601923Z",
            "structure_string": "Mn7 P12 W1 O48\n1.0\n8.499528 0.000000 0.000000\n0.007056 8.516443 0.000000\n0.014682 0.008414 11.846543\nMn P W O\n7 12 1 48\ndirect\n0.032130 0.249307 0.618713 Mn\n0.465473 0.250780 0.380525 Mn\n0.964905 0.249739 0.117653 Mn\n0.534542 0.250474 0.883120 Mn\n0.464613 0.750624 0.119631 Mn\n0.033786 0.749946 0.883570 Mn\n0.967125 0.749262 0.381289 Mn\n0.755650 0.043256 0.496394 P\n0.607648 0.106562 0.145837 P\n0.891530 0.106676 0.855053 P\n0.390565 0.382763 0.646214 P\n0.107695 0.392435 0.354733 P\n0.249783 0.463604 0.000584 P\n0.749590 0.537280 0.000482 P\n0.608545 0.603638 0.349163 P\n0.902417 0.603720 0.645803 P\n0.387329 0.899086 0.861397 P\n0.107819 0.893202 0.145769 P\n0.242590 0.967956 0.496004 P\n0.532347 0.750322 0.620842 W\n0.356069 0.062072 0.422975 O\n0.139375 0.059374 0.578237 O\n0.098676 0.074593 0.158977 O\n0.398657 0.077246 0.844017 O\n0.840548 0.146945 0.582590 O\n0.656342 0.144467 0.417725 O\n0.561829 0.158612 0.026694 O\n0.938572 0.159220 0.973659 O\n0.778100 0.153017 0.176365 O\n0.721460 0.152534 0.824281 O\n0.486104 0.180215 0.227216 O\n0.013326 0.178772 0.772339 O\n0.986215 0.320347 0.271956 O\n0.513100 0.316651 0.728216 O\n0.219584 0.347148 0.676542 O\n0.277720 0.347322 0.323335 O\n0.436211 0.340117 0.526259 O\n0.061006 0.339791 0.473578 O\n0.159024 0.353166 0.081596 O\n0.341918 0.355528 0.919269 O\n0.900993 0.424143 0.659670 O\n0.601940 0.423595 0.343969 O\n0.859506 0.440616 0.076853 O\n0.641134 0.441090 0.922837 O\n0.358662 0.559947 0.077435 O\n0.140278 0.559832 0.923496 O\n0.408022 0.568663 0.656110 O\n0.099777 0.574085 0.341368 O\n0.658444 0.646120 0.081968 O\n0.840152 0.646661 0.918218 O\n0.939958 0.657960 0.526736 O\n0.562104 0.662451 0.471608 O\n0.777748 0.653625 0.324252 O\n0.725651 0.652927 0.671317 O\n0.485312 0.679965 0.272203 O\n0.015382 0.683743 0.728265 O\n0.986268 0.818990 0.227603 O\n0.506103 0.824172 0.772173 O\n0.277886 0.847485 0.176616 O\n0.222046 0.847207 0.825734 O\n0.439698 0.840138 0.975000 O\n0.061545 0.841512 0.026800 O\n0.344849 0.857545 0.575980 O\n0.158241 0.852901 0.417836 O\n0.899451 0.925201 0.842367 O\n0.599468 0.925520 0.159127 O\n0.861604 0.941222 0.422674 O\n0.647866 0.934913 0.573187 O\n",
            "nsites": 68,
            "nelements": 4,
            "elements": [
                "Mn",
                "P",
                "W",
                "O"
            ],
            "chemical_system": "Mn-O-P-W",
            "density": 3.307563629712569,
            "density_atomic": 0.07929836346369631,
            "volume": 857.5208494829931,
            "volume_molar": 7.594281265031408,
            "formula_full": "Mn7 P12 W1 O48",
            "formula_reduced": "Mn7P12WO48",
            "formula_anonymous": "AB7C12D48",
            "energy": -533.60523068,
            "energy_per_atom": -7.847135745294118,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -484.51523068,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 16.9995948,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:24.344000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-983312",
            "created_at": "2022-09-04T14:39:20.617601Z",
            "structure_string": "Tm1 Lu1 Ru2\n1.0\n0.000000 3.344713 3.344713\n3.344713 0.000000 3.344713\n3.344713 3.344713 0.000000\nTm Lu Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Lu\n0.750000 0.750000 0.750000 Ru\n0.250000 0.250000 0.250000 Ru\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Tm",
                "Lu",
                "Ru"
            ],
            "chemical_system": "Lu-Ru-Tm",
            "density": 12.116242241676751,
            "density_atomic": 0.05345070295104702,
            "volume": 74.83531140204856,
            "volume_molar": 11.266719477039237,
            "formula_full": "Tm1 Lu1 Ru2",
            "formula_reduced": "TmLuRu2",
            "formula_anonymous": "ABC2",
            "energy": -29.32461274,
            "energy_per_atom": -7.331153185,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -29.32461274,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0044892,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:34.051000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-728301",
            "created_at": "2022-09-04T14:39:20.674776Z",
            "structure_string": "K4 Mn2 C8 O20\n1.0\n4.146358 -6.111086 0.000000\n4.146358 6.111086 0.000000\n0.000000 0.000000 10.306237\nK Mn C O\n4 2 8 20\ndirect\n0.362273 0.155071 0.209953 K\n0.844929 0.637727 0.209953 K\n0.637727 0.844929 0.709953 K\n0.155071 0.362273 0.709953 K\n0.172336 0.827664 0.490210 Mn\n0.827664 0.172336 0.990210 Mn\n0.343572 0.656428 0.298161 C\n0.656428 0.343572 0.798161 C\n0.403378 0.596622 0.429124 C\n0.596622 0.403378 0.929124 C\n0.852817 0.147183 0.278018 C\n0.147183 0.852817 0.778018 C\n0.928637 0.071363 0.406868 C\n0.071363 0.928637 0.906868 C\n0.237162 0.762838 0.306062 O\n0.762838 0.237162 0.806062 O\n0.396621 0.603379 0.196525 O\n0.603379 0.396621 0.696525 O\n0.340536 0.659464 0.531684 O\n0.659464 0.340536 0.031684 O\n0.504409 0.495591 0.431810 O\n0.495591 0.504409 0.931810 O\n0.752854 0.247146 0.293848 O\n0.247146 0.752854 0.793848 O\n0.906897 0.093103 0.170684 O\n0.093103 0.906897 0.670684 O\n0.884324 0.115676 0.513673 O\n0.115676 0.884324 0.013673 O\n0.032395 0.967605 0.379223 O\n0.967605 0.032395 0.879223 O\n0.383465 0.022902 0.502251 O\n0.977098 0.616535 0.502251 O\n0.616535 0.977098 0.002251 O\n0.022902 0.383465 0.002251 O\n",
            "nsites": 34,
            "nelements": 4,
            "elements": [
                "K",
                "Mn",
                "C",
                "O"
            ],
            "chemical_system": "C-K-Mn-O",
            "density": 2.1693841109747445,
            "density_atomic": 0.06509739413165314,
            "volume": 522.2943322621842,
            "volume_molar": 9.250970550097302,
            "formula_full": "K4 Mn2 C8 O20",
            "formula_reduced": "K2Mn(C2O5)2",
            "formula_anonymous": "AB2C4D10",
            "energy": -247.39044235,
            "energy_per_atom": -7.276189480882353,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -230.31444235,
            "band_gap": 0.4759,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 1.9985302,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:40.882000Z",
            "spacegroup": 36
        },
        {
            "id": "mp-24003",
            "created_at": "2022-09-04T14:39:20.715279Z",
            "structure_string": "Co1 Sn1 H12 O6 F6\n1.0\n4.422362 -4.967572 0.000000\n4.422362 4.967572 0.000000\n-1.157636 0.000000 6.549346\nCo Sn H O F\n1 1 12 6 6\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Sn\n0.893841 0.697088 0.543818 H\n0.543818 0.893841 0.697088 H\n0.697088 0.543818 0.893841 H\n0.106159 0.302912 0.456182 H\n0.456182 0.106159 0.302912 H\n0.302912 0.456182 0.106159 H\n0.803281 0.669690 0.308261 H\n0.308261 0.803281 0.669690 H\n0.669690 0.308261 0.803281 H\n0.691739 0.196719 0.330310 H\n0.330310 0.691739 0.196719 H\n0.196719 0.330310 0.691739 H\n0.438869 0.790021 0.616587 O\n0.616587 0.438869 0.790021 O\n0.209979 0.383413 0.561131 O\n0.561131 0.209979 0.383413 O\n0.383413 0.561131 0.209979 O\n0.790021 0.616587 0.438869 O\n0.066593 0.843109 0.744766 F\n0.744766 0.066593 0.843109 F\n0.843109 0.744766 0.066593 F\n0.933407 0.156891 0.255234 F\n0.156891 0.255234 0.933407 F\n0.255234 0.933407 0.156891 F\n",
            "nsites": 26,
            "nelements": 5,
            "elements": [
                "Co",
                "Sn",
                "H",
                "O",
                "F"
            ],
            "chemical_system": "Co-F-H-O-Sn",
            "density": 2.3066640009545347,
            "density_atomic": 0.09035391133847073,
            "volume": 287.75732688098657,
            "volume_molar": 6.665058181533203,
            "formula_full": "Co1 Sn1 H12 O6 F6",
            "formula_reduced": "CoSnH12(OF)6",
            "formula_anonymous": "ABC6D6E12",
            "energy": -136.80207566,
            "energy_per_atom": -5.261618294615385,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -128.27007566,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.019075,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:30.258000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-570431",
            "created_at": "2022-09-04T14:39:20.731221Z",
            "structure_string": "Ag4 Te12 I4\n1.0\n5.147745 0.000000 0.000000\n0.000000 8.806155 0.000000\n0.000000 0.000000 16.469045\nAg Te I\n4 12 4\ndirect\n0.300637 0.750000 0.250000 Ag\n0.300637 0.750000 0.750000 Ag\n0.699363 0.250000 0.250000 Ag\n0.699363 0.250000 0.750000 Ag\n0.372979 0.717869 0.000000 Te\n0.630910 0.858865 0.127067 Te\n0.372979 0.782131 0.500000 Te\n0.369090 0.141135 0.872933 Te\n0.627021 0.217869 0.500000 Te\n0.630910 0.641135 0.372933 Te\n0.369090 0.358865 0.372933 Te\n0.627021 0.282131 0.000000 Te\n0.369090 0.141135 0.127067 Te\n0.630910 0.858865 0.872933 Te\n0.369090 0.358865 0.627067 Te\n0.630910 0.641135 0.627067 Te\n0.000000 0.000000 0.677980 I\n0.000000 0.500000 0.822020 I\n0.000000 0.500000 0.177980 I\n0.000000 0.000000 0.322020 I\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Ag",
                "Te",
                "I"
            ],
            "chemical_system": "Ag-I-Te",
            "density": 5.494464735067228,
            "density_atomic": 0.026789106492411344,
            "volume": 746.5721189941695,
            "volume_molar": 22.479811940371793,
            "formula_full": "Ag4 Te12 I4",
            "formula_reduced": "AgTe3I",
            "formula_anonymous": "ABC3",
            "energy": -58.55084526,
            "energy_per_atom": -2.9275422630000003,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -57.03484526,
            "band_gap": 1.0025,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001905,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:26.834000Z",
            "spacegroup": 53
        },
        {
            "id": "mp-22984",
            "created_at": "2022-09-04T14:39:21.212648Z",
            "structure_string": "Na2 Bi2 O4\n1.0\n3.661497 3.698094 0.000000\n-3.661497 3.698094 0.000000\n0.000000 3.604239 4.757464\nNa Bi O\n2 2 4\ndirect\n0.373365 0.626635 0.750000 Na\n0.626635 0.373365 0.250000 Na\n0.115676 0.884324 0.250000 Bi\n0.884324 0.115676 0.750000 Bi\n0.706110 0.865440 0.245847 O\n0.134560 0.293890 0.254153 O\n0.865440 0.706110 0.745847 O\n0.293890 0.134560 0.754153 O\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Na",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-Na-O",
            "density": 6.804399981741334,
            "density_atomic": 0.062093744735704774,
            "volume": 128.8374543047955,
            "volume_molar": 9.698466062294331,
            "formula_full": "Na2 Bi2 O4",
            "formula_reduced": "NaBiO2",
            "formula_anonymous": "ABC2",
            "energy": -43.97905861,
            "energy_per_atom": -5.49738232625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -41.23105861,
            "band_gap": 1.1350000000000002,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 2.9e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:36.935000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1177748",
            "created_at": "2022-09-04T14:39:20.636015Z",
            "structure_string": "Li8 V4 O4 F16\n1.0\n-0.000197 5.106736 0.000040\n-7.877901 -2.553019 6.192914\n2.561000 2.553318 6.561685\nLi V O F\n8 4 4 16\ndirect\n0.357451 0.728423 0.016756 Li\n0.357331 0.228463 0.516891 Li\n0.354198 0.478541 0.766691 Li\n0.354167 0.978432 0.266942 Li\n0.645799 0.521563 0.233233 Li\n0.645789 0.021505 0.733097 Li\n0.642709 0.271584 0.983088 Li\n0.642389 0.771482 0.483313 Li\n0.000109 0.750045 0.749954 V\n0.000013 0.499953 0.500021 V\n0.999935 0.249926 0.250042 V\n0.000049 0.000060 0.999959 V\n0.865099 0.874973 0.875147 O\n0.865275 0.375023 0.374848 O\n0.135214 0.125003 0.125001 O\n0.134554 0.624997 0.625017 O\n0.238235 0.894000 0.067286 F\n0.238261 0.393997 0.567076 F\n0.588466 0.643970 0.817272 F\n0.588779 0.144079 0.317002 F\n0.411505 0.355999 0.182728 F\n0.411307 0.855975 0.682950 F\n0.761749 0.105946 0.932958 F\n0.761781 0.606053 0.432712 F\n0.982208 0.642515 0.997866 F\n0.982330 0.142750 0.497454 F\n0.337473 0.607487 0.252132 F\n0.337005 0.107240 0.752521 F\n0.662759 0.392651 0.747613 F\n0.662596 0.892604 0.247890 F\n0.017823 0.357402 0.002113 F\n0.017643 0.857359 0.502426 F\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Li",
                "V",
                "O",
                "F"
            ],
            "chemical_system": "F-Li-O-V",
            "density": 3.0193229686796883,
            "density_atomic": 0.09275955751809697,
            "volume": 344.97792848739005,
            "volume_molar": 6.492205138888365,
            "formula_full": "Li8 V4 O4 F16",
            "formula_reduced": "Li2VOF4",
            "formula_anonymous": "ABC2D4",
            "energy": -198.68400824,
            "energy_per_atom": -6.2088752575,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -181.74400824,
            "band_gap": 1.8189,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.2e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:40.171000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1196740",
            "created_at": "2022-09-04T14:39:20.640971Z",
            "structure_string": "Cs6 H24 N8 F6\n1.0\n-5.243114 5.243114 5.243114\n5.243114 -5.243114 5.243114\n5.243114 5.243114 -5.243114\nCs H N F\n6 24 8 6\ndirect\n0.250000 0.125000 0.875000 Cs\n0.750000 0.375000 0.625000 Cs\n0.375000 0.625000 0.750000 Cs\n0.125000 0.875000 0.250000 Cs\n0.625000 0.750000 0.375000 Cs\n0.875000 0.250000 0.125000 Cs\n0.712377 0.626999 0.044392 H\n0.417392 0.873001 0.585378 H\n0.082608 0.667986 0.455608 H\n0.787623 0.832014 0.914622 H\n0.544392 0.126999 0.212377 H\n0.085378 0.373001 0.917392 H\n0.955608 0.167986 0.582608 H\n0.414622 0.332014 0.287623 H\n0.626999 0.044392 0.712377 H\n0.873001 0.585378 0.417392 H\n0.667986 0.455608 0.082608 H\n0.832014 0.914622 0.787623 H\n0.126999 0.212377 0.544392 H\n0.373001 0.917392 0.085378 H\n0.167986 0.582608 0.955608 H\n0.332014 0.287623 0.414622 H\n0.044392 0.712377 0.626999 H\n0.585378 0.417392 0.873001 H\n0.455608 0.082608 0.667986 H\n0.914622 0.787623 0.832014 H\n0.212377 0.544392 0.126999 H\n0.917392 0.085378 0.373001 H\n0.582608 0.955608 0.167986 H\n0.287623 0.414622 0.332014 H\n0.698406 0.500000 0.000000 N\n0.500000 0.000000 0.698406 N\n0.000000 0.698406 0.500000 N\n0.801594 0.801594 0.801594 N\n0.500000 0.000000 0.198406 N\n0.198406 0.500000 0.000000 N\n0.000000 0.198406 0.500000 N\n0.301594 0.301594 0.301594 N\n0.750000 0.875000 0.125000 F\n0.250000 0.625000 0.375000 F\n0.625000 0.375000 0.250000 F\n0.875000 0.125000 0.750000 F\n0.375000 0.250000 0.625000 F\n0.125000 0.750000 0.875000 F\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "Cs",
                "H",
                "N",
                "F"
            ],
            "chemical_system": "Cs-F-H-N",
            "density": 3.017481313407729,
            "density_atomic": 0.07631761387328304,
            "volume": 576.5379414646943,
            "volume_molar": 7.890892356775068,
            "formula_full": "Cs6 H24 N8 F6",
            "formula_reduced": "Cs3H12N4F3",
            "formula_anonymous": "A3B3C4D12",
            "energy": -212.77444117,
            "energy_per_atom": -4.835782753863636,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -207.11444117,
            "band_gap": 4.8381,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:25.300000Z",
            "spacegroup": 220
        },
        {
            "id": "mp-568866",
            "created_at": "2022-09-04T14:39:20.670746Z",
            "structure_string": "Na6 Zn1 Sn2\n1.0\n2.749937 5.064542 0.000000\n-2.749937 5.064542 0.000000\n0.000000 1.290264 9.323236\nNa Zn Sn\n6 1 2\ndirect\n0.529726 0.529726 0.275365 Na\n0.826469 0.826469 0.590885 Na\n0.707087 0.707087 0.929831 Na\n0.173531 0.173531 0.409115 Na\n0.470274 0.470274 0.724635 Na\n0.292913 0.292913 0.070169 Na\n0.000000 0.000000 0.000000 Zn\n0.854387 0.854387 0.250632 Sn\n0.145613 0.145613 0.749368 Sn\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "Na",
                "Zn",
                "Sn"
            ],
            "chemical_system": "Na-Sn-Zn",
            "density": 2.8183776156862432,
            "density_atomic": 0.03465635746981705,
            "volume": 259.69261218055846,
            "volume_molar": 17.376727387593487,
            "formula_full": "Na6 Zn1 Sn2",
            "formula_reduced": "Na6ZnSn2",
            "formula_anonymous": "AB2C6",
            "energy": -18.65157975,
            "energy_per_atom": -2.07239775,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -18.65157975,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0011543,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:34.115000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1666304",
            "created_at": "2022-09-04T14:39:20.674286Z",
            "structure_string": "Li14 Mn8 Co2 O24\n1.0\n2.888151 0.000014 0.000029\n-1.444022 7.727304 0.941966\n0.000196 0.802524 19.591730\nLi Mn Co O\n14 8 2 24\ndirect\n0.666066 0.332079 0.999794 Li\n0.667930 0.335835 0.499383 Li\n0.417601 0.835320 0.126381 Li\n0.421231 0.842326 0.626496 Li\n0.915164 0.830322 0.375527 Li\n0.912644 0.825129 0.873351 Li\n0.240172 0.480312 0.377908 Li\n0.238341 0.476738 0.880381 Li\n0.100934 0.202016 0.119372 Li\n0.095378 0.190505 0.619760 Li\n0.744082 0.488106 0.122467 Li\n0.751552 0.503027 0.623329 Li\n0.585328 0.170496 0.375901 Li\n0.581843 0.163623 0.877144 Li\n0.004360 0.008534 0.998458 Mn\n0.329123 0.658432 0.502316 Mn\n0.830630 0.661818 0.752188 Mn\n0.502818 0.004924 0.747779 Mn\n0.006129 0.011777 0.497658 Mn\n0.328694 0.657337 0.001651 Mn\n0.829115 0.657716 0.254358 Mn\n0.502820 0.007706 0.248429 Mn\n0.166721 0.333293 0.750061 Co\n0.166261 0.332707 0.246471 Co\n0.533814 0.067709 0.055939 O\n0.536988 0.073713 0.554578 O\n0.799074 0.598107 0.445227 O\n0.797656 0.595243 0.944616 O\n0.364761 0.729225 0.310148 O\n0.364812 0.729955 0.810453 O\n0.949850 0.900019 0.199093 O\n0.968878 0.937260 0.689345 O\n0.223348 0.446630 0.057318 O\n0.223645 0.447269 0.557995 O\n0.111305 0.222408 0.441190 O\n0.110020 0.220041 0.942590 O\n0.877355 0.754694 0.053374 O\n0.878916 0.757790 0.553349 O\n0.456390 0.912601 0.446498 O\n0.455430 0.910855 0.946774 O\n0.714978 0.429898 0.307621 O\n0.697570 0.394905 0.808053 O\n0.625630 0.251486 0.184357 O\n0.635951 0.271815 0.692004 O\n0.034408 0.070348 0.307569 O\n0.034183 0.067815 0.806689 O\n0.300793 0.601177 0.195366 O\n0.299309 0.598960 0.693291 O\n",
            "nsites": 48,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "Co",
                "O"
            ],
            "chemical_system": "Co-Li-Mn-O",
            "density": 3.963887013417013,
            "density_atomic": 0.11033015134026317,
            "volume": 435.0578642094475,
            "volume_molar": 5.458291035446372,
            "formula_full": "Li14 Mn8 Co2 O24",
            "formula_reduced": "Li7Mn4CoO12",
            "formula_anonymous": "AB4C7D12",
            "energy": -331.0212444,
            "energy_per_atom": -6.896275925,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -297.9132444,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 32.00157,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:35.525000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-1194767",
            "created_at": "2022-09-04T14:39:20.715248Z",
            "structure_string": "B18 H42 C12 S6\n1.0\n-5.002995 -6.900483 0.000000\n-5.002995 6.900483 0.000000\n4.838723 0.000000 -12.683178\nB H C S\n18 42 12 6\ndirect\n0.108809 0.693125 0.654884 B\n0.693125 0.108809 0.154884 B\n0.032153 0.764564 0.759064 B\n0.764564 0.032153 0.259064 B\n0.066313 0.569696 0.743068 B\n0.569696 0.066313 0.243068 B\n0.250337 0.591629 0.699406 B\n0.591629 0.250337 0.199406 B\n0.336111 0.801732 0.692066 B\n0.801732 0.336111 0.192066 B\n0.199869 0.915363 0.732236 B\n0.915363 0.199869 0.232236 B\n0.211041 0.921823 0.866691 B\n0.921823 0.211041 0.366691 B\n0.403276 0.951851 0.818343 B\n0.951851 0.403276 0.318343 B\n0.429239 0.748146 0.802670 B\n0.748146 0.429239 0.302670 B\n0.476443 0.481492 0.047383 H\n0.481492 0.476443 0.547383 H\n0.581142 0.645946 0.994177 H\n0.645946 0.581142 0.494177 H\n0.425648 0.672081 0.061147 H\n0.672081 0.425648 0.561147 H\n0.937177 0.781487 0.084468 H\n0.781487 0.937177 0.584468 H\n0.128405 0.935522 0.076488 H\n0.935522 0.128405 0.576488 H\n0.923336 0.877970 0.980385 H\n0.877970 0.923336 0.480385 H\n0.673392 0.377361 0.766038 H\n0.377361 0.673392 0.266038 H\n0.566498 0.163891 0.672194 H\n0.163891 0.566498 0.172194 H\n0.442530 0.276643 0.728381 H\n0.276643 0.442530 0.228381 H\n0.880675 0.255713 0.870288 H\n0.255713 0.880675 0.370288 H\n0.808782 0.094508 0.934111 H\n0.094508 0.808782 0.434111 H\n0.765725 0.031482 0.792942 H\n0.031482 0.765725 0.292942 H\n0.019480 0.645392 0.565754 H\n0.645392 0.019480 0.065754 H\n0.891200 0.767596 0.751811 H\n0.767596 0.891200 0.251811 H\n0.955096 0.433089 0.726284 H\n0.433089 0.955096 0.226284 H\n0.257036 0.462911 0.648406 H\n0.462911 0.257036 0.148406 H\n0.411157 0.839271 0.629958 H\n0.839271 0.411157 0.129958 H\n0.171654 0.023756 0.696322 H\n0.023756 0.171654 0.196322 H\n0.185808 0.033275 0.922833 H\n0.033275 0.185808 0.422833 H\n0.563816 0.727457 0.818745 H\n0.727457 0.563816 0.318745 H\n0.384596 0.937080 0.907182 H\n0.937080 0.384596 0.407182 H\n0.459749 0.578980 0.009314 C\n0.578980 0.459749 0.509314 C\n0.004929 0.830112 0.030327 C\n0.830112 0.004929 0.530327 C\n0.563880 0.253710 0.742034 C\n0.253710 0.563880 0.242034 C\n0.779196 0.132712 0.862409 C\n0.132712 0.779196 0.362409 C\n0.267369 0.628879 0.832339 C\n0.628879 0.267369 0.332339 C\n0.139967 0.720006 0.864847 C\n0.720006 0.139967 0.364847 C\n0.287218 0.460589 0.887862 S\n0.460589 0.287218 0.387862 S\n0.034275 0.643552 0.957385 S\n0.643552 0.034275 0.457385 S\n0.582282 0.173318 0.854698 S\n0.173318 0.582282 0.354698 S\n",
            "nsites": 78,
            "nelements": 4,
            "elements": [
                "B",
                "H",
                "C",
                "S"
            ],
            "chemical_system": "B-C-H-S",
            "density": 1.0873689345666775,
            "density_atomic": 0.08906907874380014,
            "volume": 875.7247868742481,
            "volume_molar": 6.7612024789457985,
            "formula_full": "B18 H42 C12 S6",
            "formula_reduced": "B3H7C2S",
            "formula_anonymous": "AB2C3D7",
            "energy": -409.22952234,
            "energy_per_atom": -5.246532337692308,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -406.21152234,
            "band_gap": 3.6437,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.1031237,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:43.164000Z",
            "spacegroup": 9
        },
        {
            "id": "mp-6927",
            "created_at": "2022-09-04T14:39:20.729859Z",
            "structure_string": "Np1 O1\n1.0\n0.000000 2.429066 2.429066\n2.429066 0.000000 2.429066\n2.429066 2.429066 0.000000\nNp O\n1 1\ndirect\n0.000000 0.000000 0.000000 Np\n0.500000 0.500000 0.500000 O\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Np",
                "O"
            ],
            "chemical_system": "Np-O",
            "density": 14.656175188317173,
            "density_atomic": 0.06977214176615978,
            "volume": 28.664735657720925,
            "volume_molar": 8.63115364894933,
            "formula_full": "Np1 O1",
            "formula_reduced": "NpO",
            "formula_anonymous": "AB",
            "energy": -22.98437092,
            "energy_per_atom": -11.49218546,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -22.29737092,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.4551561,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:38.547000Z",
            "spacegroup": 225
        }
    ]
}