GET /third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=12122
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=-energy_above_hull&page=12123",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=12121",
    "results": [
        {
            "id": "mp-606313",
            "created_at": "2022-09-04T14:48:07.205304Z",
            "structure_string": "Cr4 O8 F8\n1.0\n5.161671 0.000000 0.000000\n0.000000 6.080968 0.000000\n0.000000 0.292399 9.194096\nCr O F\n4 8 8\ndirect\n0.935459 0.690947 0.622246 Cr\n0.435459 0.309053 0.877754 Cr\n0.564541 0.690947 0.122246 Cr\n0.064541 0.309053 0.377754 Cr\n0.898879 0.116566 0.313461 O\n0.398879 0.883434 0.186539 O\n0.601121 0.116566 0.813461 O\n0.101121 0.883434 0.686539 O\n0.182431 0.196373 0.940988 O\n0.817569 0.803627 0.059012 O\n0.317569 0.196373 0.440988 O\n0.682431 0.803627 0.559012 O\n0.133647 0.645373 0.458632 F\n0.176628 0.448420 0.216972 F\n0.823372 0.551580 0.783028 F\n0.366353 0.645373 0.958632 F\n0.633647 0.354627 0.041368 F\n0.866353 0.354627 0.541368 F\n0.323372 0.448420 0.716972 F\n0.676628 0.551580 0.283028 F\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Cr",
                "O",
                "F"
            ],
            "chemical_system": "Cr-F-O",
            "density": 2.8078074580720176,
            "density_atomic": 0.06930393976901893,
            "volume": 288.5838823399855,
            "volume_molar": 8.689463802593353,
            "formula_full": "Cr4 O8 F8",
            "formula_reduced": "Cr(OF)2",
            "formula_anonymous": "AB2C2",
            "energy": -130.49210052,
            "energy_per_atom": -6.524605026000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -113.30410052000002,
            "band_gap": 2.7,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005682,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:30.725000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1219292",
            "created_at": "2022-09-04T14:48:07.210997Z",
            "structure_string": "Sc4 Zn4 Cu4\n1.0\n-2.536532 -4.436659 0.000000\n-2.574193 4.458403 0.000000\n0.000000 0.000000 -8.313616\nSc Zn Cu\n4 4 4\ndirect\n0.665050 0.332497 0.563819 Sc\n0.329737 0.664885 0.450010 Sc\n0.329737 0.664885 0.049990 Sc\n0.665050 0.332497 0.936181 Sc\n0.669537 0.834784 0.750000 Zn\n0.831030 0.662126 0.250000 Zn\n0.831027 0.168919 0.250000 Zn\n0.337462 0.168723 0.250000 Zn\n0.000154 0.000067 0.500383 Cu\n0.000154 0.000067 0.999617 Cu\n0.170574 0.337038 0.750000 Cu\n0.170490 0.833511 0.750000 Cu\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Sc",
                "Zn",
                "Cu"
            ],
            "chemical_system": "Cu-Sc-Zn",
            "density": 6.112970317172428,
            "density_atomic": 0.06350349262345778,
            "volume": 188.96598445621993,
            "volume_molar": 9.483164643727736,
            "formula_full": "Sc4 Zn4 Cu4",
            "formula_reduced": "ScZnCu",
            "formula_anonymous": "ABC",
            "energy": -50.30943203000001,
            "energy_per_atom": -4.192452669166667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -50.30943203000001,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0046288,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:28.497000Z",
            "spacegroup": 38
        },
        {
            "id": "mp-541075",
            "created_at": "2022-09-04T14:48:07.215115Z",
            "structure_string": "Rb4 Mo6 O20\n1.0\n4.187829 7.292964 0.000000\n-4.187829 7.292964 0.000000\n0.000000 1.289337 9.279297\nRb Mo O\n4 6 20\ndirect\n0.406677 0.230352 0.158846 Rb\n0.769648 0.593323 0.341154 Rb\n0.593323 0.769648 0.841154 Rb\n0.230352 0.406677 0.658846 Rb\n0.178322 0.033603 0.478419 Mo\n0.966397 0.821678 0.021581 Mo\n0.821678 0.966397 0.521581 Mo\n0.033603 0.178322 0.978419 Mo\n0.285520 0.714480 0.250000 Mo\n0.714480 0.285520 0.750000 Mo\n0.343735 0.891611 0.320969 O\n0.108389 0.656265 0.179031 O\n0.656265 0.108389 0.679031 O\n0.891611 0.343735 0.820969 O\n0.943775 0.105401 0.592661 O\n0.894599 0.056225 0.907339 O\n0.056225 0.894599 0.407339 O\n0.105401 0.943775 0.092661 O\n0.327852 0.949765 0.616622 O\n0.050235 0.672148 0.883378 O\n0.672148 0.050235 0.383378 O\n0.949765 0.327852 0.116622 O\n0.142491 0.254919 0.419720 O\n0.745081 0.857509 0.080280 O\n0.857509 0.745081 0.580280 O\n0.254919 0.142491 0.919720 O\n0.468246 0.636118 0.117941 O\n0.363882 0.531754 0.382059 O\n0.531754 0.363882 0.882059 O\n0.636118 0.468246 0.617941 O\n",
            "nsites": 30,
            "nelements": 3,
            "elements": [
                "Rb",
                "Mo",
                "O"
            ],
            "chemical_system": "Mo-O-Rb",
            "density": 3.6254001100023894,
            "density_atomic": 0.05292771853419892,
            "volume": 566.8107530577893,
            "volume_molar": 11.378047130652027,
            "formula_full": "Rb4 Mo6 O20",
            "formula_reduced": "Rb2Mo3O10",
            "formula_anonymous": "A2B3C10",
            "energy": -231.23279416,
            "energy_per_atom": -7.707759805333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -198.28079416,
            "band_gap": 3.155,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.001357,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:25.820000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1197080",
            "created_at": "2022-09-04T14:48:07.206088Z",
            "structure_string": "Tm4 C24 O36 F36\n1.0\n21.200183 0.000000 0.000000\n0.000000 9.163343 0.000000\n0.000000 2.626249 8.796534\nTm C O F\n4 24 36 36\ndirect\n0.549102 0.502840 0.186458 Tm\n0.049102 0.997160 0.813542 Tm\n0.450898 0.497160 0.813542 Tm\n0.950898 0.002840 0.186458 Tm\n0.660899 0.672792 0.322205 C\n0.160899 0.827208 0.677795 C\n0.339101 0.327208 0.677795 C\n0.839101 0.172792 0.322205 C\n0.408702 0.605748 0.126659 C\n0.908702 0.894252 0.873341 C\n0.591298 0.394252 0.873341 C\n0.091298 0.105748 0.126659 C\n0.540719 0.773291 0.861756 C\n0.040719 0.726709 0.138244 C\n0.459281 0.226709 0.138244 C\n0.959281 0.273291 0.861756 C\n0.655237 0.774948 0.431905 C\n0.155237 0.725052 0.568095 C\n0.344763 0.225052 0.568095 C\n0.844763 0.274948 0.431905 C\n0.344204 0.671766 0.160819 C\n0.844204 0.828234 0.839181 C\n0.655796 0.328234 0.839181 C\n0.155796 0.171766 0.160819 C\n0.570804 0.933210 0.789432 C\n0.070804 0.566790 0.210568 C\n0.429196 0.066790 0.210568 C\n0.929196 0.433210 0.789432 C\n0.609672 0.594870 0.318837 O\n0.109672 0.905130 0.681163 O\n0.390328 0.405130 0.681163 O\n0.890328 0.094870 0.318837 O\n0.708596 0.675502 0.246800 O\n0.208596 0.824498 0.753200 O\n0.291404 0.324498 0.753200 O\n0.791404 0.175502 0.246800 O\n0.452912 0.595015 0.220771 O\n0.952912 0.904985 0.779229 O\n0.547088 0.404985 0.779229 O\n0.047088 0.095015 0.220771 O\n0.587829 0.429450 0.996620 O\n0.087829 0.070550 0.003380 O\n0.412171 0.570550 0.003380 O\n0.912171 0.929450 0.996620 O\n0.552316 0.717283 0.001990 O\n0.052316 0.782717 0.998010 O\n0.447684 0.282717 0.998010 O\n0.947684 0.217283 0.001990 O\n0.492067 0.284826 0.221788 O\n0.992067 0.215174 0.778212 O\n0.507933 0.715174 0.778212 O\n0.007933 0.784826 0.221788 O\n0.686154 0.319358 0.209513 O\n0.186154 0.180642 0.790487 O\n0.313846 0.680642 0.790487 O\n0.813846 0.819358 0.209513 O\n0.640232 0.288813 0.296476 O\n0.140232 0.211187 0.703524 O\n0.359768 0.711187 0.703524 O\n0.859768 0.788813 0.296476 O\n0.512799 0.447035 0.482325 O\n0.012799 0.052965 0.517675 O\n0.487201 0.552965 0.517675 O\n0.987201 0.947035 0.482325 O\n0.629031 0.698105 0.568838 F\n0.129031 0.801895 0.431162 F\n0.370969 0.301895 0.431162 F\n0.870969 0.198105 0.568838 F\n0.711505 0.829715 0.460723 F\n0.211505 0.670285 0.539277 F\n0.288495 0.170285 0.539277 F\n0.788495 0.329715 0.460723 F\n0.616781 0.895829 0.366709 F\n0.116781 0.604171 0.633291 F\n0.383219 0.104171 0.633291 F\n0.883219 0.395829 0.366709 F\n0.295747 0.580489 0.146519 F\n0.795747 0.919511 0.853481 F\n0.704253 0.419511 0.853481 F\n0.204253 0.080489 0.146519 F\n0.342695 0.687845 0.302625 F\n0.842695 0.812155 0.697375 F\n0.657305 0.312155 0.697375 F\n0.157305 0.187845 0.302625 F\n0.335654 0.810579 0.058579 F\n0.835654 0.689421 0.941421 F\n0.664346 0.189421 0.941421 F\n0.164346 0.310579 0.058579 F\n0.548385 0.031687 0.864100 F\n0.048385 0.468313 0.135900 F\n0.451615 0.968313 0.135900 F\n0.951615 0.531687 0.864100 F\n0.634411 0.925439 0.805576 F\n0.134411 0.574561 0.194424 F\n0.365589 0.074561 0.194424 F\n0.865589 0.425439 0.805576 F\n0.557007 0.990262 0.640480 F\n0.057007 0.509738 0.359520 F\n0.442993 0.009738 0.359520 F\n0.942993 0.490262 0.640480 F\n",
            "nsites": 100,
            "nelements": 4,
            "elements": [
                "Tm",
                "C",
                "O",
                "F"
            ],
            "chemical_system": "C-F-O-Tm",
            "density": 2.161036270170051,
            "density_atomic": 0.058518725822883255,
            "volume": 1708.8547058024944,
            "volume_molar": 10.290963576731011,
            "formula_full": "Tm4 C24 O36 F36",
            "formula_reduced": "TmC6(OF)9",
            "formula_anonymous": "AB6C9D9",
            "energy": -651.83781184,
            "energy_per_atom": -6.518378118399999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -629.40981184,
            "band_gap": 0.0834000000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 6.0747018,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:31.111000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1175718",
            "created_at": "2022-09-04T14:48:07.211278Z",
            "structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.976349 0.000000 0.000000\n1.452507 6.271559 0.000000\n0.713800 0.202514 15.392172\nLi Mn Co O\n9 2 5 16\ndirect\n0.552698 0.881193 0.686499 Li\n0.818590 0.371924 0.440215 Li\n0.073793 0.870275 0.191190 Li\n0.181410 0.628076 0.559785 Li\n0.447302 0.118807 0.313501 Li\n0.683157 0.630179 0.062176 Li\n0.316843 0.369821 0.937824 Li\n0.926207 0.129725 0.808810 Li\n0.500000 0.000000 0.500000 Li\n0.632386 0.747744 0.876932 Mn\n0.367614 0.252256 0.123068 Mn\n0.878656 0.238577 0.618503 Co\n0.121344 0.761423 0.381497 Co\n0.752103 0.504541 0.252806 Co\n0.000000 0.000000 0.000000 Co\n0.247897 0.495459 0.747194 Co\n0.071494 0.798819 0.784058 O\n0.324206 0.307416 0.538405 O\n0.575636 0.797437 0.284219 O\n0.731906 0.537993 0.657455 O\n0.979838 0.034584 0.401142 O\n0.223851 0.550897 0.159113 O\n0.815264 0.296978 0.032258 O\n0.498940 0.044599 0.917110 O\n0.020162 0.965416 0.598858 O\n0.268094 0.462007 0.342545 O\n0.501060 0.955401 0.082890 O\n0.675794 0.692584 0.461595 O\n0.928506 0.201181 0.215942 O\n0.184736 0.703022 0.967742 O\n0.776149 0.449103 0.840887 O\n0.424364 0.202563 0.715781 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "Co",
                "O"
            ],
            "chemical_system": "Co-Li-Mn-O",
            "density": 4.17858268652626,
            "density_atomic": 0.11137576601953353,
            "volume": 287.3156445396543,
            "volume_molar": 5.407047668649762,
            "formula_full": "Li9 Mn2 Co5 O16",
            "formula_reduced": "Li9Mn2Co5O16",
            "formula_anonymous": "A2B5C9D16",
            "energy": -207.71824303,
            "energy_per_atom": -6.4911950946875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -185.20024303,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 13.9998184,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:32.227000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-17059",
            "created_at": "2022-09-04T14:48:07.212845Z",
            "structure_string": "K6 Nb6 Si4 O26\n1.0\n4.628905 -8.017498 0.000000\n4.628905 8.017498 0.000000\n0.000000 0.000000 7.926753\nK Nb Si O\n6 6 4 26\ndirect\n0.404125 0.404125 0.500000 K\n0.000000 0.595875 0.500000 K\n0.610742 0.000000 0.000000 K\n0.389258 0.389258 0.000000 K\n0.595875 0.000000 0.500000 K\n0.000000 0.610742 0.000000 K\n0.237862 0.000000 0.250423 Nb\n0.000000 0.237862 0.749577 Nb\n0.000000 0.237862 0.250423 Nb\n0.762138 0.762138 0.250423 Nb\n0.237862 0.000000 0.749577 Nb\n0.762138 0.762138 0.749577 Nb\n0.666667 0.333333 0.208906 Si\n0.666667 0.333333 0.791094 Si\n0.333333 0.666667 0.791094 Si\n0.333333 0.666667 0.208906 Si\n0.000000 0.231927 0.500000 O\n0.768073 0.768073 0.500000 O\n0.231927 0.000000 0.500000 O\n0.513377 0.696130 0.270869 O\n0.303870 0.817247 0.270869 O\n0.182753 0.486623 0.270869 O\n0.486623 0.182753 0.729131 O\n0.182753 0.486623 0.729131 O\n0.513377 0.696130 0.729131 O\n0.303870 0.817247 0.729131 O\n0.696130 0.513377 0.270869 O\n0.817247 0.303870 0.270869 O\n0.817247 0.303870 0.729131 O\n0.696130 0.513377 0.729131 O\n0.486623 0.182753 0.270869 O\n0.826083 0.000000 0.765408 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n0.270101 0.000000 0.000000 O\n0.729899 0.729899 0.000000 O\n0.000000 0.270101 0.000000 O\n0.826083 0.000000 0.234592 O\n0.173917 0.173917 0.765408 O\n0.000000 0.826083 0.765408 O\n0.000000 0.826083 0.234592 O\n0.173917 0.173917 0.234592 O\n",
            "nsites": 42,
            "nelements": 4,
            "elements": [
                "K",
                "Nb",
                "Si",
                "O"
            ],
            "chemical_system": "K-Nb-O-Si",
            "density": 3.726466243400849,
            "density_atomic": 0.07138497981556817,
            "volume": 588.3590652895349,
            "volume_molar": 8.436145496656211,
            "formula_full": "K6 Nb6 Si4 O26",
            "formula_reduced": "K3Nb3Si2O13",
            "formula_anonymous": "A2B3C3D13",
            "energy": -342.93925685000005,
            "energy_per_atom": -8.165220401190478,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -325.07725685,
            "band_gap": 2.1672,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0036835,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:26.113000Z",
            "spacegroup": 189
        },
        {
            "id": "mp-862618",
            "created_at": "2022-09-04T14:48:07.227366Z",
            "structure_string": "Li1 Er1 Hg2\n1.0\n0.000000 3.539720 3.539720\n3.539720 0.000000 3.539720\n3.539720 3.539720 0.000000\nLi Er Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Er\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Li",
                "Er",
                "Hg"
            ],
            "chemical_system": "Er-Hg-Li",
            "density": 10.77127551285407,
            "density_atomic": 0.04509446788248792,
            "volume": 88.70267657717208,
            "volume_molar": 13.354500103412132,
            "formula_full": "Li1 Er1 Hg2",
            "formula_reduced": "LiErHg2",
            "formula_anonymous": "ABC2",
            "energy": -8.81186281,
            "energy_per_atom": -2.2029657025,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -8.81186281,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003027,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:27.657000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-3051",
            "created_at": "2022-09-04T14:48:07.230227Z",
            "structure_string": "Mg8 Ge4 O16\n1.0\n4.969759 0.000000 0.000000\n0.000000 6.102763 0.000000\n0.000000 0.000000 10.442349\nMg Ge O\n8 4 16\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.493437 0.750000 0.776094 Mg\n0.993437 0.250000 0.723906 Mg\n0.506563 0.250000 0.223906 Mg\n0.006563 0.750000 0.276094 Mg\n0.563842 0.750000 0.094324 Ge\n0.063842 0.250000 0.405676 Ge\n0.436158 0.250000 0.905676 Ge\n0.936158 0.750000 0.594324 Ge\n0.233166 0.478642 0.335621 O\n0.733166 0.521358 0.164379 O\n0.766834 0.978642 0.664379 O\n0.266834 0.021358 0.835621 O\n0.766834 0.521358 0.664379 O\n0.266834 0.478642 0.835621 O\n0.233166 0.021358 0.335621 O\n0.733166 0.978642 0.164379 O\n0.729847 0.750000 0.940124 O\n0.229847 0.250000 0.559876 O\n0.270153 0.250000 0.059876 O\n0.770153 0.750000 0.440124 O\n0.211076 0.750000 0.092096 O\n0.711076 0.250000 0.407904 O\n0.788924 0.250000 0.907904 O\n0.288924 0.750000 0.592096 O\n",
            "nsites": 28,
            "nelements": 3,
            "elements": [
                "Mg",
                "Ge",
                "O"
            ],
            "chemical_system": "Ge-Mg-O",
            "density": 3.885094989077907,
            "density_atomic": 0.08840930856215264,
            "volume": 316.70873186747883,
            "volume_molar": 6.81165915438234,
            "formula_full": "Mg8 Ge4 O16",
            "formula_reduced": "Mg2GeO4",
            "formula_anonymous": "AB2C4",
            "energy": -186.88245368,
            "energy_per_atom": -6.674373345714286,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -175.89045368,
            "band_gap": 3.665200000000001,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0015475,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:26.827000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-532405",
            "created_at": "2022-09-04T14:48:07.241979Z",
            "structure_string": "Mg4 Al24 O40\n1.0\n2.865165 4.936382 0.000000\n-2.865165 4.936382 0.000000\n0.000000 3.339240 23.150107\nMg Al O\n4 24 40\ndirect\n0.532635 0.532635 0.416121 Mg\n0.126180 0.126180 0.624062 Mg\n0.722518 0.722518 0.833820 Mg\n0.475719 0.475719 0.572515 Mg\n0.322769 0.322769 0.031572 Al\n0.803658 0.803658 0.096475 Al\n0.804706 0.292546 0.096026 Al\n0.931256 0.931256 0.223357 Al\n0.292546 0.804706 0.096026 Al\n0.403011 0.900050 0.297243 Al\n0.587976 0.587976 0.202373 Al\n0.900050 0.403011 0.297243 Al\n0.268025 0.268025 0.175681 Al\n0.210779 0.210779 0.395634 Al\n0.498375 0.003392 0.497229 Al\n0.602741 0.602741 0.701380 Al\n0.870890 0.870890 0.371110 Al\n0.801011 0.801011 0.598074 Al\n0.003392 0.498375 0.497229 Al\n0.003840 0.003840 0.497117 Al\n0.093438 0.602965 0.701377 Al\n0.196673 0.196673 0.906952 Al\n0.196885 0.698403 0.906788 Al\n0.397684 0.397684 0.806674 Al\n0.602965 0.093438 0.701377 Al\n0.698403 0.196885 0.906788 Al\n0.073466 0.073466 0.778769 Al\n0.674873 0.674873 0.972792 Al\n0.651691 0.145296 0.056052 O\n0.951234 0.951234 0.142710 O\n0.145296 0.651691 0.056052 O\n0.145396 0.145396 0.056007 O\n0.265469 0.770618 0.243285 O\n0.458611 0.458611 0.147096 O\n0.647534 0.647534 0.051716 O\n0.464571 0.923496 0.145253 O\n0.567413 0.567413 0.334823 O\n0.770618 0.265469 0.243285 O\n0.747336 0.747336 0.245293 O\n0.923496 0.464571 0.145253 O\n0.882097 0.332500 0.453359 O\n0.057967 0.057967 0.348099 O\n0.238859 0.238859 0.251637 O\n0.332500 0.882097 0.453359 O\n0.035767 0.532224 0.352216 O\n0.154729 0.154729 0.542186 O\n0.336493 0.336493 0.452482 O\n0.532224 0.035767 0.352216 O\n0.483406 0.930900 0.654969 O\n0.670487 0.670487 0.547381 O\n0.850587 0.850587 0.452838 O\n0.671065 0.112657 0.547493 O\n0.751398 0.751398 0.746169 O\n0.930900 0.483406 0.654969 O\n0.112657 0.671065 0.547493 O\n0.931518 0.931518 0.654967 O\n0.090794 0.526229 0.855493 O\n0.258181 0.258181 0.751489 O\n0.445923 0.445923 0.662376 O\n0.349276 0.349276 0.951313 O\n0.258261 0.731893 0.751517 O\n0.526229 0.090794 0.855493 O\n0.526974 0.526974 0.855465 O\n0.731893 0.258261 0.751517 O\n0.851493 0.851493 0.942962 O\n0.047713 0.047713 0.855753 O\n0.851666 0.352390 0.943083 O\n0.352390 0.851666 0.943083 O\n",
            "nsites": 68,
            "nelements": 3,
            "elements": [
                "Mg",
                "Al",
                "O"
            ],
            "chemical_system": "Al-Mg-O",
            "density": 3.511397482257192,
            "density_atomic": 0.1038406784669254,
            "volume": 654.8493423187607,
            "volume_molar": 5.7994042882897086,
            "formula_full": "Mg4 Al24 O40",
            "formula_reduced": "MgAl6O10",
            "formula_anonymous": "AB6C10",
            "energy": -523.00713589,
            "energy_per_atom": -7.691281410147059,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -495.52713589,
            "band_gap": 1.9142,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0003251,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:25.504000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-1256989",
            "created_at": "2022-09-04T14:48:07.220370Z",
            "structure_string": "Li2 V2 Si8 H4 O24\n1.0\n7.349995 0.044761 -0.279650\n0.156678 8.147588 0.178302\n0.466014 4.115526 8.329941\nLi V Si H O\n2 2 8 4 24\ndirect\n0.372047 0.394227 0.818271 Li\n0.627953 0.605773 0.181729 Li\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.124572 0.054105 0.176793 Si\n0.250036 0.292807 0.312640 Si\n0.247243 0.109908 0.684560 Si\n0.389450 0.724999 0.842362 Si\n0.610550 0.275001 0.157638 Si\n0.752757 0.890092 0.315440 Si\n0.749964 0.707193 0.687360 Si\n0.875428 0.945895 0.823207 Si\n0.105705 0.559042 0.656234 H\n0.218526 0.511661 0.532866 H\n0.781474 0.488339 0.467134 H\n0.894295 0.440958 0.343766 H\n0.087758 0.439552 0.212962 O\n0.036919 0.096551 0.746939 O\n0.213111 0.091179 0.320547 O\n0.048918 0.257225 0.038592 O\n0.229587 0.542488 0.621649 O\n0.256093 0.273164 0.495943 O\n0.276701 0.963490 0.104454 O\n0.240994 0.560502 0.915141 O\n0.309544 0.912796 0.690832 O\n0.449864 0.366419 0.226712 O\n0.382902 0.156094 0.797529 O\n0.529586 0.218729 0.023543 O\n0.470414 0.781271 0.976457 O\n0.617098 0.843906 0.202471 O\n0.550136 0.633581 0.773288 O\n0.690456 0.087204 0.309168 O\n0.759006 0.439498 0.084859 O\n0.723299 0.036510 0.895546 O\n0.743907 0.726836 0.504057 O\n0.770413 0.457512 0.378351 O\n0.951082 0.742775 0.961408 O\n0.786890 0.908821 0.679453 O\n0.963081 0.903449 0.253061 O\n0.912242 0.560448 0.787038 O\n",
            "nsites": 40,
            "nelements": 5,
            "elements": [
                "Li",
                "V",
                "Si",
                "H",
                "O"
            ],
            "chemical_system": "H-Li-O-Si-V",
            "density": 2.4473422891363468,
            "density_atomic": 0.08092749682043202,
            "volume": 494.269581681922,
            "volume_molar": 7.44140248568713,
            "formula_full": "Li2 V2 Si8 H4 O24",
            "formula_reduced": "LiVSi4(HO6)2",
            "formula_anonymous": "ABC2D4E12",
            "energy": -305.04197456,
            "energy_per_atom": -7.626049364000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -285.15397456,
            "band_gap": 1.9548,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006671,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:25.448000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1078159",
            "created_at": "2022-09-04T14:48:07.221719Z",
            "structure_string": "Ce2 Fe1 Se2 O2\n1.0\n1.959992 5.720224 0.000000\n-1.959992 5.720224 0.000000\n0.000000 3.759038 6.092109\nCe Fe Se O\n2 1 2 2\ndirect\n0.308859 0.308859 0.241813 Ce\n0.691141 0.691141 0.758187 Ce\n0.500000 0.500000 0.500000 Fe\n0.060201 0.060201 0.176197 Se\n0.939799 0.939799 0.823803 Se\n0.302409 0.302409 0.580821 O\n0.697591 0.697591 0.419179 O\n",
            "nsites": 7,
            "nelements": 4,
            "elements": [
                "Ce",
                "Fe",
                "Se",
                "O"
            ],
            "chemical_system": "Ce-Fe-O-Se",
            "density": 6.393907933642377,
            "density_atomic": 0.05124282269426325,
            "volume": 136.6044966290209,
            "volume_molar": 11.752164387841562,
            "formula_full": "Ce2 Fe1 Se2 O2",
            "formula_reduced": "Ce2Fe(SeO)2",
            "formula_anonymous": "AB2C2D2",
            "energy": -54.49314905,
            "energy_per_atom": -7.7847355785714285,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -49.91914905,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 6.0010975,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:28.449000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1217078",
            "created_at": "2022-09-04T14:48:07.227916Z",
            "structure_string": "Ti2 Co1 Ni1\n1.0\n2.989423 0.000000 0.000000\n0.000000 2.989423 0.000000\n0.000000 0.000000 5.980982\nTi Co Ni\n2 1 1\ndirect\n0.500000 0.500000 0.248179 Ti\n0.500000 0.500000 0.751821 Ti\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Ni\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Ti",
                "Co",
                "Ni"
            ],
            "chemical_system": "Co-Ni-Ti",
            "density": 6.62851239520033,
            "density_atomic": 0.07483637676787673,
            "volume": 53.449942030290636,
            "volume_molar": 8.04707686300626,
            "formula_full": "Ti2 Co1 Ni1",
            "formula_reduced": "Ti2CoNi",
            "formula_anonymous": "ABC2",
            "energy": -30.14852177,
            "energy_per_atom": -7.5371304425,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -30.14852177,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.734281,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:28.759000Z",
            "spacegroup": 123
        }
    ]
}