GET /third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=60
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=61",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=59",
    "results": [
        {
            "id": "mp-557230",
            "created_at": "2022-09-04T14:40:16.533972Z",
            "structure_string": "Na16 Cr8 Co8 F56\n1.0\n3.718301 6.391762 0.000000\n-3.718301 6.391762 0.000000\n0.000000 4.080567 24.484593\nNa Cr Co F\n16 8 8 56\ndirect\n0.791217 0.703809 0.251106 Na\n0.296191 0.208783 0.248894 Na\n0.133106 0.119157 0.122067 Na\n0.500000 0.500000 0.000000 Na\n0.216776 0.783224 0.750000 Na\n0.866894 0.880843 0.877933 Na\n0.880843 0.866894 0.377933 Na\n0.500000 0.000000 0.000000 Na\n0.119157 0.133106 0.622067 Na\n0.783224 0.216776 0.250000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.703809 0.791217 0.751106 Na\n0.500000 0.500000 0.500000 Na\n0.208783 0.296191 0.748894 Na\n0.000000 0.500000 0.500000 Na\n0.636400 0.110659 0.125493 Cr\n0.889341 0.363600 0.374507 Cr\n0.249821 0.750179 0.250000 Cr\n0.110659 0.636400 0.625493 Cr\n0.000000 0.500000 0.000000 Cr\n0.363600 0.889341 0.874507 Cr\n0.500000 0.000000 0.500000 Cr\n0.750179 0.249821 0.750000 Cr\n0.613476 0.631572 0.627533 Co\n0.368428 0.386524 0.872467 Co\n0.631572 0.613476 0.127533 Co\n0.387955 0.865357 0.374037 Co\n0.134643 0.612045 0.125963 Co\n0.612045 0.134643 0.625963 Co\n0.865357 0.387955 0.874037 Co\n0.386524 0.368428 0.372467 Co\n0.139730 0.023499 0.209714 F\n0.924063 0.539390 0.609553 F\n0.464366 0.091815 0.346705 F\n0.136793 0.581014 0.045564 F\n0.207897 0.129813 0.531880 F\n0.968982 0.361301 0.295465 F\n0.362914 0.814719 0.953946 F\n0.299695 0.338922 0.640730 F\n0.091815 0.464366 0.846705 F\n0.863207 0.418986 0.954436 F\n0.418986 0.863207 0.454436 F\n0.535634 0.908185 0.653295 F\n0.023499 0.139730 0.709714 F\n0.814719 0.362914 0.453946 F\n0.309002 0.641155 0.400179 F\n0.976501 0.860270 0.290286 F\n0.634596 0.527287 0.709556 F\n0.365404 0.472713 0.290444 F\n0.862755 0.363465 0.793635 F\n0.933964 0.924243 0.109729 F\n0.460610 0.075937 0.890447 F\n0.690998 0.358845 0.599821 F\n0.860270 0.976501 0.790286 F\n0.258630 0.415565 0.953554 F\n0.581014 0.136793 0.545564 F\n0.338922 0.299695 0.140730 F\n0.358845 0.690998 0.099821 F\n0.636535 0.137245 0.706365 F\n0.641155 0.309002 0.900179 F\n0.270930 0.699880 0.857865 F\n0.527287 0.634596 0.209556 F\n0.699880 0.270930 0.357865 F\n0.066036 0.075757 0.890271 F\n0.792103 0.870187 0.468120 F\n0.729070 0.300120 0.142135 F\n0.361301 0.968982 0.795465 F\n0.075757 0.066036 0.390271 F\n0.700305 0.661078 0.359270 F\n0.300120 0.729070 0.642135 F\n0.075937 0.460610 0.390447 F\n0.584435 0.741370 0.546446 F\n0.137245 0.636535 0.206365 F\n0.908185 0.535634 0.153295 F\n0.031018 0.638699 0.704535 F\n0.472713 0.365404 0.790444 F\n0.363465 0.862755 0.293635 F\n0.741370 0.584435 0.046446 F\n0.185281 0.637086 0.546054 F\n0.539390 0.924063 0.109553 F\n0.870187 0.792103 0.968120 F\n0.924243 0.933964 0.609729 F\n0.638699 0.031018 0.204535 F\n0.415565 0.258630 0.453554 F\n0.661078 0.700305 0.859270 F\n0.637086 0.185281 0.046054 F\n0.129813 0.207897 0.031880 F\n",
            "nsites": 88,
            "nelements": 4,
            "elements": [
                "Na",
                "Cr",
                "Co",
                "F"
            ],
            "chemical_system": "Co-Cr-F-Na",
            "density": 3.3089923598905053,
            "density_atomic": 0.07561268295362583,
            "volume": 1163.8259160036876,
            "volume_molar": 7.964458507170617,
            "formula_full": "Na16 Cr8 Co8 F56",
            "formula_reduced": "Na2CrCoF7",
            "formula_anonymous": "ABC2D7",
            "energy": -514.98287871,
            "energy_per_atom": -5.852078167159092,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -460.01487871,
            "band_gap": 2.7271,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 48.0003482,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:52.180000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-9509",
            "created_at": "2022-09-04T14:40:18.011197Z",
            "structure_string": "K4 P2 Au2 S8\n1.0\n6.882998 0.000000 0.000000\n0.000000 6.742747 0.000000\n0.000000 0.532190 9.569556\nK P Au S\n4 2 2 8\ndirect\n0.250000 0.480489 0.162954 K\n0.750000 0.519511 0.837046 K\n0.250000 0.796589 0.539328 K\n0.750000 0.203411 0.460672 K\n0.750000 0.732481 0.279908 P\n0.250000 0.267519 0.720092 P\n0.000000 0.000000 0.000000 Au\n0.500000 0.000000 0.000000 Au\n0.250000 0.304218 0.508948 S\n0.750000 0.695782 0.491052 S\n0.250000 0.521228 0.823609 S\n0.750000 0.478772 0.176391 S\n0.500918 0.098351 0.763616 S\n0.000918 0.901649 0.236384 S\n0.999082 0.098351 0.763616 S\n0.499082 0.901649 0.236384 S\n",
            "nsites": 16,
            "nelements": 4,
            "elements": [
                "K",
                "P",
                "Au",
                "S"
            ],
            "chemical_system": "Au-K-P-S",
            "density": 3.248325529571162,
            "density_atomic": 0.03602580439066545,
            "volume": 444.1260999059251,
            "volume_molar": 16.71618680514565,
            "formula_full": "K4 P2 Au2 S8",
            "formula_reduced": "K2PAuS4",
            "formula_anonymous": "ABC2D4",
            "energy": -71.16953846,
            "energy_per_atom": -4.44809615375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -67.14553846,
            "band_gap": 1.5691000000000002,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0027082,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:52.929000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-568381",
            "created_at": "2022-09-04T14:40:17.086641Z",
            "structure_string": "Rb8 Au8 C16 N16\n1.0\n4.666327 9.260577 0.000000\n-4.666327 9.260577 0.000000\n0.000000 3.987401 13.297605\nRb Au C N\n8 8 16 16\ndirect\n0.422308 0.227908 0.982695 Rb\n0.772092 0.577692 0.517305 Rb\n0.227908 0.422308 0.482695 Rb\n0.483837 0.010641 0.316290 Rb\n0.577692 0.772092 0.017305 Rb\n0.516163 0.989359 0.683710 Rb\n0.989359 0.516163 0.183710 Rb\n0.010641 0.483837 0.816290 Rb\n0.513007 0.486993 0.750000 Au\n0.135239 0.832184 0.576983 Au\n0.864761 0.167816 0.423017 Au\n0.832184 0.135239 0.076983 Au\n0.099718 0.900282 0.250000 Au\n0.486993 0.513007 0.250000 Au\n0.900282 0.099718 0.750000 Au\n0.167816 0.864761 0.923017 Au\n0.600837 0.584292 0.794847 C\n0.022938 0.225006 0.404674 C\n0.584292 0.600837 0.294847 C\n0.314480 0.860634 0.558153 C\n0.003010 0.219400 0.687732 C\n0.139366 0.685520 0.941847 C\n0.977062 0.774994 0.595326 C\n0.860634 0.314480 0.058153 C\n0.219400 0.003010 0.187732 C\n0.685520 0.139366 0.441847 C\n0.415708 0.399163 0.705153 C\n0.996990 0.780600 0.312268 C\n0.225006 0.022938 0.904674 C\n0.774994 0.977062 0.095326 C\n0.399163 0.415708 0.205153 C\n0.780600 0.996990 0.812268 C\n0.730264 0.892781 0.106054 N\n0.297857 0.054836 0.150393 N\n0.645795 0.649089 0.320859 N\n0.892781 0.730264 0.606054 N\n0.350911 0.354205 0.179141 N\n0.649089 0.645795 0.820859 N\n0.867140 0.426734 0.047471 N\n0.426734 0.867140 0.547471 N\n0.573266 0.132860 0.452529 N\n0.269736 0.107219 0.893946 N\n0.702143 0.945164 0.849607 N\n0.107219 0.269736 0.393946 N\n0.354205 0.350911 0.679141 N\n0.945164 0.702143 0.349607 N\n0.054836 0.297857 0.650393 N\n0.132860 0.573266 0.952529 N\n",
            "nsites": 48,
            "nelements": 4,
            "elements": [
                "Rb",
                "Au",
                "C",
                "N"
            ],
            "chemical_system": "Au-C-N-Rb",
            "density": 3.866148533329491,
            "density_atomic": 0.04176616471604953,
            "volume": 1149.255631354511,
            "volume_molar": 14.418706627582365,
            "formula_full": "Rb8 Au8 C16 N16",
            "formula_reduced": "RbAu(CN)2",
            "formula_anonymous": "ABC2D2",
            "energy": -324.56225238,
            "energy_per_atom": -6.76171359125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -318.78625238,
            "band_gap": 2.9271000000000003,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 4.37e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:53.201000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1197636",
            "created_at": "2022-09-04T14:40:22.235595Z",
            "structure_string": "B6 P2 H14 N2 O19\n1.0\n4.550807 0.000000 0.000000\n1.289255 9.456573 0.000000\n1.543262 1.369299 10.855698\nB P H N O\n6 2 14 2 19\ndirect\n0.085453 0.732087 0.263244 B\n0.914547 0.267913 0.736756 B\n0.807716 0.701133 0.475513 B\n0.192284 0.298867 0.524487 B\n0.793200 0.935201 0.355632 B\n0.206800 0.064799 0.644368 B\n0.646218 0.681863 0.124958 P\n0.353782 0.318137 0.875042 P\n0.202519 0.251318 0.125494 H\n0.797481 0.748682 0.874506 H\n0.191175 0.478724 0.406186 H\n0.808825 0.521276 0.593814 H\n0.912712 0.367384 0.182016 H\n0.087288 0.632616 0.817984 H\n0.434056 0.891393 0.579161 H\n0.565944 0.108607 0.420839 H\n0.947393 0.198514 0.250210 H\n0.052607 0.801486 0.749790 H\n0.191442 0.310643 0.268001 H\n0.808558 0.689357 0.731999 H\n0.689283 0.498413 0.022368 H\n0.310717 0.501587 0.977632 H\n0.066189 0.281256 0.206331 N\n0.933811 0.718744 0.793669 N\n0.418504 0.708136 0.239343 O\n0.581496 0.291864 0.760657 O\n0.630654 0.513648 0.108633 O\n0.369346 0.486352 0.891367 O\n0.963778 0.673323 0.164823 O\n0.036222 0.326677 0.835177 O\n0.598225 0.771388 0.005783 O\n0.401775 0.228612 0.994217 O\n0.985694 0.881866 0.264461 O\n0.014306 0.118134 0.735539 O\n0.005352 0.646416 0.384357 O\n0.994648 0.353584 0.615643 O\n0.280156 0.376487 0.414192 O\n0.719844 0.623513 0.585808 O\n0.295598 0.920992 0.651584 O\n0.704402 0.079008 0.348416 O\n0.689987 0.845242 0.461636 O\n0.310013 0.154758 0.538364 O\n0.000000 0.000000 0.000000 O\n",
            "nsites": 43,
            "nelements": 5,
            "elements": [
                "B",
                "P",
                "H",
                "N",
                "O"
            ],
            "chemical_system": "B-H-N-O-P",
            "density": 1.6809816266516047,
            "density_atomic": 0.09204252109598167,
            "volume": 467.1753825078273,
            "volume_molar": 6.542781193183669,
            "formula_full": "B6 P2 H14 N2 O19",
            "formula_reduced": "B6P2H14N2O19",
            "formula_anonymous": "A2B2C6D14E19",
            "energy": -287.96963298,
            "energy_per_atom": -6.696968208837209,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -274.19463298,
            "band_gap": 1.0871,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.0001631,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:55.211000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-559301",
            "created_at": "2022-09-04T14:40:17.985775Z",
            "structure_string": "Sb2 P2 Cl8 F12\n1.0\n8.716101 0.000000 0.000000\n0.000000 8.716101 0.000000\n0.000000 0.000000 6.943412\nSb P Cl F\n2 2 8 12\ndirect\n0.000000 0.500000 0.146718 Sb\n0.500000 0.000000 0.853282 Sb\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.500000 P\n0.046879 0.176977 0.662352 Cl\n0.453121 0.323023 0.337648 Cl\n0.323023 0.546879 0.662352 Cl\n0.823023 0.046879 0.337648 Cl\n0.546879 0.676977 0.337648 Cl\n0.176977 0.953121 0.337648 Cl\n0.676977 0.453121 0.662352 Cl\n0.953121 0.823023 0.662352 Cl\n0.290756 0.930203 0.853544 F\n0.790756 0.430203 0.146456 F\n0.209244 0.569797 0.146456 F\n0.930203 0.709244 0.146456 F\n0.569797 0.790756 0.853544 F\n0.709244 0.069797 0.853544 F\n0.430203 0.209244 0.853544 F\n0.000000 0.500000 0.868781 F\n0.069797 0.290756 0.146456 F\n0.500000 0.000000 0.576804 F\n0.000000 0.500000 0.423196 F\n0.500000 0.000000 0.131219 F\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "Sb",
                "P",
                "Cl",
                "F"
            ],
            "chemical_system": "Cl-F-P-Sb",
            "density": 2.572125614009331,
            "density_atomic": 0.04549815625089668,
            "volume": 527.4939025584582,
            "volume_molar": 13.23601054686983,
            "formula_full": "Sb2 P2 Cl8 F12",
            "formula_reduced": "SbP(Cl2F3)2",
            "formula_anonymous": "ABC4D6",
            "energy": -107.236235,
            "energy_per_atom": -4.468176458333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -96.780235,
            "band_gap": 4.487299999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006115,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:55.891000Z",
            "spacegroup": 85
        },
        {
            "id": "mp-3678",
            "created_at": "2022-09-04T14:40:22.208793Z",
            "structure_string": "Tb1 Si2 Ru2\n1.0\n-2.093706 2.093706 4.795755\n2.093706 -2.093706 4.795755\n2.093706 2.093706 -4.795755\nTb Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.632071 0.632071 0.000000 Si\n0.367929 0.367929 0.000000 Si\n0.250000 0.750000 0.500000 Ru\n0.750000 0.250000 0.500000 Ru\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Tb",
                "Si",
                "Ru"
            ],
            "chemical_system": "Ru-Si-Tb",
            "density": 8.239158547960267,
            "density_atomic": 0.05945955156702027,
            "volume": 84.09077882742208,
            "volume_molar": 10.12813013433527,
            "formula_full": "Tb1 Si2 Ru2",
            "formula_reduced": "Tb(SiRu)2",
            "formula_anonymous": "AB2C2",
            "energy": -38.47298952,
            "energy_per_atom": -7.694597904,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -38.61498952,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0015607,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:02.228000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-982004",
            "created_at": "2022-09-04T14:40:17.092939Z",
            "structure_string": "Sm3 In3 Pd3\n1.0\n3.925984 -6.800004 0.000000\n3.925984 6.800004 0.000000\n0.000000 0.000000 3.876190\nSm In Pd\n3 3 3\ndirect\n0.591646 0.000000 0.500000 Sm\n0.000000 0.591646 0.500000 Sm\n0.408354 0.408354 0.500000 Sm\n0.257256 0.000000 0.000000 In\n0.000000 0.257256 0.000000 In\n0.742744 0.742744 0.000000 In\n0.000000 0.000000 0.500000 Pd\n0.333333 0.666667 0.000000 Pd\n0.666667 0.333333 0.000000 Pd\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "Sm",
                "In",
                "Pd"
            ],
            "chemical_system": "In-Pd-Sm",
            "density": 8.944395080892145,
            "density_atomic": 0.04348603023331541,
            "volume": 206.9630166679354,
            "volume_molar": 13.848449094317036,
            "formula_full": "Sm3 In3 Pd3",
            "formula_reduced": "SmInPd",
            "formula_anonymous": "ABC",
            "energy": -45.1065106,
            "energy_per_atom": -5.011834511111111,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -45.1065106,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.2166391,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:49.072000Z",
            "spacegroup": 189
        },
        {
            "id": "mp-15557",
            "created_at": "2022-09-04T14:40:22.304343Z",
            "structure_string": "Cs4 As6\n1.0\n0.000000 5.324994 8.024105\n4.935078 0.000000 8.024105\n4.935078 5.324994 0.000000\nCs As\n4 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.731619 0.268381 0.731619 Cs\n0.268381 0.731619 0.268381 Cs\n0.136693 0.712532 0.863307 As\n0.287468 0.863307 0.712532 As\n0.863307 0.287468 0.136693 As\n0.712532 0.136693 0.287468 As\n0.848325 0.848325 0.151675 As\n0.151675 0.151675 0.848325 As\n",
            "nsites": 10,
            "nelements": 2,
            "elements": [
                "Cs",
                "As"
            ],
            "chemical_system": "As-Cs",
            "density": 3.863183932077862,
            "density_atomic": 0.02371156709206654,
            "volume": 421.73509499276486,
            "volume_molar": 25.39748105478401,
            "formula_full": "Cs4 As6",
            "formula_reduced": "Cs2As3",
            "formula_anonymous": "A2B3",
            "energy": -35.97984171,
            "energy_per_atom": -3.5979841710000002,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -35.97984171,
            "band_gap": 0.5095000000000001,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0005685,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:49.512000Z",
            "spacegroup": 69
        },
        {
            "id": "mp-1196416",
            "created_at": "2022-09-04T14:40:17.096024Z",
            "structure_string": "Eu24 Si16 B8 O80\n1.0\n0.000000 -7.140278 0.000000\n-9.857016 0.000000 0.000000\n0.000000 0.000000 -23.260441\nEu Si B O\n24 16 8 80\ndirect\n0.821061 0.364594 0.834806 Eu\n0.678939 0.864594 0.165194 Eu\n0.321061 0.635406 0.665194 Eu\n0.178939 0.135406 0.334806 Eu\n0.178939 0.635406 0.165194 Eu\n0.321061 0.135406 0.834806 Eu\n0.678939 0.364594 0.334806 Eu\n0.821061 0.864594 0.665194 Eu\n0.091604 0.768541 0.817537 Eu\n0.408396 0.268541 0.182463 Eu\n0.591604 0.231459 0.682463 Eu\n0.908396 0.731459 0.317537 Eu\n0.908396 0.231459 0.182463 Eu\n0.591604 0.731459 0.817537 Eu\n0.408396 0.768541 0.317537 Eu\n0.091604 0.268541 0.682463 Eu\n0.861976 0.009396 0.927022 Eu\n0.638024 0.509396 0.072978 Eu\n0.361976 0.990604 0.572978 Eu\n0.138024 0.490604 0.427022 Eu\n0.138024 0.990604 0.072978 Eu\n0.361976 0.490604 0.927022 Eu\n0.638024 0.009396 0.427022 Eu\n0.861976 0.509396 0.572978 Eu\n0.857874 0.623041 0.921929 Si\n0.642126 0.123041 0.078071 Si\n0.357874 0.376959 0.578071 Si\n0.142126 0.876959 0.421929 Si\n0.142126 0.376959 0.078071 Si\n0.357874 0.876959 0.921929 Si\n0.642126 0.623041 0.421929 Si\n0.857874 0.123041 0.578071 Si\n0.813962 0.060658 0.778887 Si\n0.686038 0.560658 0.221113 Si\n0.313962 0.939342 0.721113 Si\n0.186038 0.439342 0.278887 Si\n0.186038 0.939342 0.221113 Si\n0.313962 0.439342 0.778887 Si\n0.686038 0.060658 0.278887 Si\n0.813962 0.560658 0.721113 Si\n0.661634 0.254965 0.971607 B\n0.838366 0.754965 0.028393 B\n0.161634 0.745035 0.528393 B\n0.338366 0.245035 0.471607 B\n0.338366 0.745035 0.028393 B\n0.161634 0.245035 0.971607 B\n0.838366 0.254965 0.471607 B\n0.661634 0.754965 0.528393 B\n0.867492 0.098148 0.711367 O\n0.632508 0.598148 0.288633 O\n0.367492 0.901852 0.788633 O\n0.132508 0.401852 0.211367 O\n0.132508 0.901852 0.288633 O\n0.367492 0.401852 0.711367 O\n0.632508 0.098148 0.211367 O\n0.867492 0.598148 0.788633 O\n0.853832 0.774264 0.891201 O\n0.646168 0.274264 0.108799 O\n0.353832 0.225736 0.608799 O\n0.146168 0.725736 0.391201 O\n0.146168 0.225736 0.108799 O\n0.353832 0.725736 0.891201 O\n0.646168 0.774264 0.391201 O\n0.853832 0.274264 0.608799 O\n0.794933 0.394365 0.721726 O\n0.705067 0.894365 0.278274 O\n0.294933 0.605635 0.778274 O\n0.205067 0.105635 0.221726 O\n0.205067 0.605635 0.278274 O\n0.294933 0.105635 0.721726 O\n0.705067 0.394365 0.221726 O\n0.794933 0.894365 0.778274 O\n0.661965 0.137502 0.007067 O\n0.838035 0.637502 0.992933 O\n0.161965 0.862498 0.492933 O\n0.338035 0.362498 0.507067 O\n0.338035 0.862498 0.992933 O\n0.161965 0.362498 0.007067 O\n0.838035 0.137502 0.507067 O\n0.661965 0.637502 0.492933 O\n0.582945 0.372678 0.990349 O\n0.917055 0.872678 0.009651 O\n0.082945 0.627322 0.509651 O\n0.417055 0.127322 0.490349 O\n0.417055 0.627322 0.009651 O\n0.082945 0.127322 0.990349 O\n0.917055 0.372678 0.490349 O\n0.582945 0.872678 0.509651 O\n0.673396 0.547939 0.894205 O\n0.826604 0.047939 0.105795 O\n0.173396 0.452061 0.605795 O\n0.326604 0.952061 0.394205 O\n0.326604 0.452061 0.105795 O\n0.173396 0.952061 0.894205 O\n0.826604 0.547939 0.394205 O\n0.673396 0.047939 0.605795 O\n0.625703 0.154451 0.789054 O\n0.874297 0.654451 0.210946 O\n0.125703 0.845549 0.710946 O\n0.374297 0.345549 0.289054 O\n0.374297 0.845549 0.210946 O\n0.125703 0.345549 0.789054 O\n0.874297 0.154451 0.289054 O\n0.625703 0.654451 0.710946 O\n0.962532 0.108993 0.828077 O\n0.537468 0.608993 0.171923 O\n0.462532 0.891007 0.671923 O\n0.037468 0.391007 0.328077 O\n0.037468 0.891007 0.171923 O\n0.462532 0.391007 0.828077 O\n0.537468 0.108993 0.328077 O\n0.962532 0.608993 0.671923 O\n0.744173 0.240459 0.919007 O\n0.755827 0.740459 0.080993 O\n0.244173 0.759541 0.580993 O\n0.255827 0.259541 0.419007 O\n0.255827 0.759541 0.080993 O\n0.244173 0.259541 0.919007 O\n0.755827 0.240459 0.419007 O\n0.744173 0.740459 0.580993 O\n0.039757 0.536862 0.900639 O\n0.460243 0.036862 0.099361 O\n0.539757 0.463138 0.599361 O\n0.960243 0.963138 0.400639 O\n0.960243 0.463138 0.099361 O\n0.539757 0.963138 0.900639 O\n0.460243 0.536862 0.400639 O\n0.039757 0.036862 0.599361 O\n",
            "nsites": 128,
            "nelements": 4,
            "elements": [
                "Eu",
                "Si",
                "B",
                "O"
            ],
            "chemical_system": "B-Eu-O-Si",
            "density": 5.541116986639818,
            "density_atomic": 0.0781864406537223,
            "volume": 1637.1125086368309,
            "volume_molar": 7.702282786693524,
            "formula_full": "Eu24 Si16 B8 O80",
            "formula_reduced": "Eu3Si2BO10",
            "formula_anonymous": "AB2C3D10",
            "energy": -1193.35322963,
            "energy_per_atom": -9.323072106484375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1138.39322963,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 144.0014153,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:54.852000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-1198720",
            "created_at": "2022-09-04T14:40:22.460963Z",
            "structure_string": "Yb8 B24 Os4\n1.0\n3.666812 0.000000 0.000000\n0.000000 9.085053 0.000000\n0.000000 0.000000 11.355916\nYb B Os\n8 24 4\ndirect\n0.000000 0.327327 0.412757 Yb\n0.000000 0.672673 0.587243 Yb\n0.000000 0.827327 0.087243 Yb\n0.000000 0.172673 0.912757 Yb\n0.000000 0.944668 0.369321 Yb\n0.000000 0.055332 0.630679 Yb\n0.000000 0.444668 0.130679 Yb\n0.000000 0.555332 0.869321 Yb\n0.500000 0.554279 0.432924 B\n0.500000 0.445721 0.567076 B\n0.500000 0.054279 0.067076 B\n0.500000 0.945721 0.932924 B\n0.500000 0.751246 0.418571 B\n0.500000 0.248754 0.581429 B\n0.500000 0.251246 0.081429 B\n0.500000 0.748754 0.918571 B\n0.500000 0.795345 0.264379 B\n0.500000 0.204655 0.735621 B\n0.500000 0.295345 0.235621 B\n0.500000 0.704655 0.764379 B\n0.500000 0.633471 0.185229 B\n0.500000 0.366529 0.814771 B\n0.500000 0.133471 0.314771 B\n0.500000 0.866529 0.685229 B\n0.500000 0.984463 0.212008 B\n0.500000 0.015537 0.787992 B\n0.500000 0.484463 0.287992 B\n0.500000 0.515537 0.712008 B\n0.500000 0.596768 0.026251 B\n0.500000 0.403232 0.973749 B\n0.500000 0.096768 0.473749 B\n0.500000 0.903232 0.526251 B\n0.000000 0.642519 0.320466 Os\n0.000000 0.357481 0.679534 Os\n0.000000 0.142519 0.179534 Os\n0.000000 0.857481 0.820466 Os\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Yb",
                "B",
                "Os"
            ],
            "chemical_system": "B-Os-Yb",
            "density": 10.555345242445847,
            "density_atomic": 0.09516214446041588,
            "volume": 378.3016892286905,
            "volume_molar": 6.328294506335973,
            "formula_full": "Yb8 B24 Os4",
            "formula_reduced": "Yb2B6Os",
            "formula_anonymous": "AB2C6",
            "energy": -232.05810983,
            "energy_per_atom": -6.446058606388889,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -232.05810983,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005219,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:06.790000Z",
            "spacegroup": 55
        },
        {
            "id": "mp-1197816",
            "created_at": "2022-09-04T14:40:18.019112Z",
            "structure_string": "Au8 I40 N8\n1.0\n7.435439 0.000000 0.000000\n0.000000 13.534160 0.000000\n0.000000 0.000000 21.643870\nAu I N\n8 40 8\ndirect\n0.738218 0.083123 0.250000 Au\n0.761782 0.583123 0.250000 Au\n0.261782 0.916877 0.750000 Au\n0.238218 0.416877 0.750000 Au\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n0.439485 0.978061 0.250000 I\n0.060515 0.478061 0.250000 I\n0.560515 0.021939 0.750000 I\n0.939485 0.521939 0.750000 I\n0.737878 0.086249 0.128592 I\n0.762122 0.586249 0.371408 I\n0.262122 0.913751 0.628592 I\n0.237878 0.413751 0.871408 I\n0.262122 0.913751 0.871408 I\n0.237878 0.413751 0.628592 I\n0.737878 0.086249 0.371408 I\n0.762122 0.586249 0.128592 I\n0.041217 0.185537 0.250000 I\n0.458783 0.685537 0.250000 I\n0.958783 0.814463 0.750000 I\n0.541217 0.314463 0.750000 I\n0.298265 0.067210 0.055553 I\n0.201735 0.567210 0.444447 I\n0.701735 0.932790 0.555553 I\n0.798265 0.432790 0.944447 I\n0.701735 0.932790 0.944447 I\n0.798265 0.432790 0.555553 I\n0.298265 0.067210 0.444447 I\n0.201735 0.567210 0.055553 I\n0.088323 0.813295 0.034481 I\n0.411677 0.313295 0.465519 I\n0.911677 0.186705 0.534481 I\n0.588323 0.686705 0.965519 I\n0.911677 0.186705 0.965519 I\n0.588323 0.686705 0.534481 I\n0.088323 0.813295 0.465519 I\n0.411677 0.313295 0.034481 I\n0.048495 0.832978 0.185635 I\n0.451505 0.332978 0.314365 I\n0.951505 0.167022 0.685635 I\n0.548495 0.667022 0.814365 I\n0.951505 0.167022 0.814365 I\n0.548495 0.667022 0.685635 I\n0.048495 0.832978 0.314365 I\n0.451505 0.332978 0.185635 I\n0.528480 0.830562 0.111670 N\n0.971520 0.330562 0.388330 N\n0.471520 0.169438 0.611670 N\n0.028480 0.669438 0.888330 N\n0.471520 0.169438 0.888330 N\n0.028480 0.669438 0.611670 N\n0.528480 0.830562 0.388330 N\n0.971520 0.330562 0.111670 N\n",
            "nsites": 56,
            "nelements": 3,
            "elements": [
                "Au",
                "I",
                "N"
            ],
            "chemical_system": "Au-I-N",
            "density": 5.1567681745019325,
            "density_atomic": 0.025710776245890313,
            "volume": 2178.075039992276,
            "volume_molar": 23.422632994064493,
            "formula_full": "Au8 I40 N8",
            "formula_reduced": "AuI5N",
            "formula_anonymous": "ABC5",
            "energy": -117.06522751,
            "energy_per_atom": -2.09045049125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -99.01722751,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0931706,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:52.387000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-19031",
            "created_at": "2022-09-04T14:40:27.608272Z",
            "structure_string": "Rb4 V4 O12\n1.0\n5.498528 0.000000 0.000000\n0.000000 5.825468 0.000000\n0.000000 0.000000 11.625619\nRb V O\n4 4 12\ndirect\n0.935409 0.750000 0.897570 Rb\n0.935409 0.250000 0.602430 Rb\n0.064591 0.250000 0.102430 Rb\n0.064591 0.750000 0.397570 Rb\n0.473633 0.750000 0.665880 V\n0.473633 0.250000 0.834120 V\n0.526367 0.250000 0.334120 V\n0.526367 0.750000 0.165880 V\n0.428084 0.500000 0.250000 O\n0.571916 0.000000 0.750000 O\n0.571916 0.500000 0.750000 O\n0.428084 0.000000 0.250000 O\n0.614759 0.750000 0.538862 O\n0.614759 0.250000 0.961138 O\n0.385241 0.250000 0.461138 O\n0.385241 0.750000 0.038862 O\n0.829952 0.750000 0.148114 O\n0.829952 0.250000 0.351886 O\n0.170048 0.250000 0.851886 O\n0.170048 0.750000 0.648114 O\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Rb",
                "V",
                "O"
            ],
            "chemical_system": "O-Rb-V",
            "density": 3.289230594064489,
            "density_atomic": 0.053707711552946784,
            "volume": 372.38600233941,
            "volume_molar": 11.212804615708082,
            "formula_full": "Rb4 V4 O12",
            "formula_reduced": "RbVO3",
            "formula_anonymous": "ABC3",
            "energy": -147.82564378,
            "energy_per_atom": -7.391282189,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -132.78164378,
            "band_gap": 3.0572,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0012818,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:56.808000Z",
            "spacegroup": 57
        }
    ]
}