GET /third-parties/OqmdStructure/?format=api&ordering=formation_energy&page=38
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 1013513,
    "next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formation_energy&page=39",
    "previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formation_energy&page=37",
    "results": [
        {
            "id": "oqmd-1287061",
            "created_at": "2022-09-04T15:42:51.536275Z",
            "updated_at": "2022-09-04T15:42:51.536300Z",
            "structure_string": "Tm2 O2 F2\n1.0\n3.882000 0.000000 0.000000\n0.000000 3.882000 0.000000\n0.000000 0.000000 5.356000\nF O Tm\n2 2 2\ndirect\n0.000000 0.500000 0.231000 F\n0.500000 0.000000 0.769000 F\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.351500 Tm\n0.000000 0.500000 0.648500 Tm\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "F",
                "O",
                "Tm"
            ],
            "chemical_system": "F-O-Tm",
            "density": 8.39098354180578,
            "density_atomic": 0.07433607391229406,
            "volume": 80.714512944,
            "volume_molar": 8.101235972060167,
            "formula_full": "Tm2 O2 F2",
            "formula_reduced": "TmOF",
            "formula_anonymous": "ABC",
            "formation_energy": -4.13551874166995,
            "spacegroup": 129
        },
        {
            "id": "oqmd-1365753",
            "created_at": "2022-09-04T15:49:27.765617Z",
            "updated_at": "2022-09-04T15:49:27.765645Z",
            "structure_string": "Cs1 Sm2 F7\n1.0\n3.537704 -5.716197 0.000000\n3.537704 5.716197 0.000000\n0.000000 0.000000 4.431984\nCs F Sm\n1 7 2\ndirect\n0.000000 0.000000 0.000000 Cs\n0.712833 0.287166 0.000000 F\n0.287166 0.712833 0.000000 F\n0.330779 0.048147 0.500000 F\n0.048147 0.330779 0.500000 F\n0.499999 0.499999 0.500000 F\n0.951853 0.669221 0.500000 F\n0.669221 0.951853 0.500000 F\n0.694304 0.305695 0.500000 Sm\n0.305695 0.694304 0.500000 Sm\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "Cs",
                "F",
                "Sm"
            ],
            "chemical_system": "Cs-F-Sm",
            "density": 5.249038386634909,
            "density_atomic": 0.05578830160771086,
            "volume": 179.24904884750669,
            "volume_molar": 10.79463003255801,
            "formula_full": "Cs1 Sm2 F7",
            "formula_reduced": "CsSm2F7",
            "formula_anonymous": "AB2C7",
            "formation_energy": -4.13526995289177,
            "spacegroup": 65
        },
        {
            "id": "oqmd-647336",
            "created_at": "2022-09-04T15:16:10.015947Z",
            "updated_at": "2022-09-04T15:16:10.015972Z",
            "structure_string": "Ba1 F2\n1.0\n3.063644 -3.063644 0.000000\n-3.063644 0.000000 -3.063644\n3.063644 3.063644 0.000000\nBa F\n1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.749999 0.499999 0.250000 F\n0.250000 0.499999 0.749999 F\n",
            "nsites": 3,
            "nelements": 2,
            "elements": [
                "Ba",
                "F"
            ],
            "chemical_system": "Ba-F",
            "density": 5.062267589157356,
            "density_atomic": 0.052164657994603035,
            "volume": 57.51020164476839,
            "volume_molar": 11.544484314692625,
            "formula_full": "Ba1 F2",
            "formula_reduced": "BaF2",
            "formula_anonymous": "AB2",
            "formation_energy": -4.13438626275407,
            "spacegroup": 225
        },
        {
            "id": "oqmd-1343192",
            "created_at": "2022-09-04T15:45:55.035165Z",
            "updated_at": "2022-09-04T15:45:55.035183Z",
            "structure_string": "Sc4 F12\n1.0\n6.309724 0.000000 0.000000\n0.000000 6.763084 0.000000\n0.000000 0.000000 4.293077\nF Sc\n12 4\ndirect\n0.979118 0.250000 0.085421 F\n0.666510 0.562439 0.117440 F\n0.666510 0.937561 0.117440 F\n0.166510 0.562439 0.382560 F\n0.166510 0.937561 0.382560 F\n0.479118 0.250000 0.414579 F\n0.520882 0.750000 0.585421 F\n0.833490 0.062439 0.617440 F\n0.833490 0.437561 0.617440 F\n0.333490 0.062439 0.882560 F\n0.333490 0.437561 0.882560 F\n0.020882 0.750000 0.914579 F\n0.369981 0.750000 0.064639 Sc\n0.869981 0.750000 0.435361 Sc\n0.130019 0.250000 0.564639 Sc\n0.630019 0.250000 0.935361 Sc\n",
            "nsites": 16,
            "nelements": 2,
            "elements": [
                "F",
                "Sc"
            ],
            "chemical_system": "F-Sc",
            "density": 3.696385640585811,
            "density_atomic": 0.08733657575982237,
            "volume": 183.1993052258011,
            "volume_molar": 6.8953250200248615,
            "formula_full": "Sc4 F12",
            "formula_reduced": "ScF3",
            "formula_anonymous": "AB3",
            "formation_energy": -4.13389941497333,
            "spacegroup": 62
        },
        {
            "id": "oqmd-1741076",
            "created_at": "2022-09-04T16:02:31.528145Z",
            "updated_at": "2022-09-04T16:02:31.528181Z",
            "structure_string": "Ba2 Eu2 F8\n1.0\n4.278038 0.000000 0.000000\n0.000000 4.278038 0.000000\n0.000000 0.000000 9.970239\nBa Eu F\n2 2 8\ndirect\n0.500000 0.000000 0.350167 Ba\n0.000000 0.500000 0.649833 Ba\n0.000000 0.500000 0.066168 Eu\n0.500000 0.000000 0.933832 Eu\n0.000000 0.000000 0.127187 F\n0.500000 0.500000 0.127187 F\n0.000000 0.500000 0.291687 F\n0.000000 0.000000 0.500000 F\n0.500000 0.500000 0.500000 F\n0.500000 0.000000 0.708313 F\n0.000000 0.000000 0.872813 F\n0.500000 0.500000 0.872813 F\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Ba",
                "Eu",
                "F"
            ],
            "chemical_system": "Ba-Eu-F",
            "density": 6.648376820932497,
            "density_atomic": 0.06576372448012335,
            "volume": 182.47141710513856,
            "volume_molar": 9.157237987365134,
            "formula_full": "Ba2 Eu2 F8",
            "formula_reduced": "BaEuF4",
            "formula_anonymous": "ABC4",
            "formation_energy": -4.133762189420737,
            "spacegroup": 129
        },
        {
            "id": "oqmd-1443648",
            "created_at": "2022-09-04T15:50:43.802961Z",
            "updated_at": "2022-09-04T15:50:43.802987Z",
            "structure_string": "Sc2 F6\n1.0\n2.382095 1.375303 4.609565\n-2.382095 1.375303 4.609565\n0.000000 -2.750606 4.609565\nF Sc\n6 2\ndirect\n0.749940 0.429777 0.070373 F\n0.570224 0.929626 0.250061 F\n0.070373 0.749939 0.429777 F\n0.929627 0.250061 0.570223 F\n0.429776 0.070374 0.749939 F\n0.250060 0.570224 0.929627 F\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n",
            "nsites": 8,
            "nelements": 2,
            "elements": [
                "F",
                "Sc"
            ],
            "chemical_system": "F-Sc",
            "density": 3.7368222436958893,
            "density_atomic": 0.08829199405065676,
            "volume": 90.60844175078967,
            "volume_molar": 6.820709878343952,
            "formula_full": "Sc2 F6",
            "formula_reduced": "ScF3",
            "formula_anonymous": "AB3",
            "formation_energy": -4.13259569684833,
            "spacegroup": 167
        },
        {
            "id": "oqmd-7165",
            "created_at": "2022-09-04T15:15:49.987655Z",
            "updated_at": "2022-09-04T15:15:49.987682Z",
            "structure_string": "Ce2 Zr2 F14\n1.0\n5.927498 0.000000 0.049700\n0.000000 5.550906 0.000000\n-1.711257 0.000000 8.081508\nCe F Zr\n2 14 2\ndirect\n0.172582 0.257282 0.184351 Ce\n0.827418 0.757282 0.815649 Ce\n0.599096 0.750595 0.030655 F\n0.094572 0.613988 0.035462 F\n0.821714 0.409409 0.249449 F\n0.001972 0.897989 0.272952 F\n0.521609 0.051748 0.293406 F\n0.412891 0.572687 0.326110 F\n0.181268 0.244320 0.474095 F\n0.818732 0.744322 0.525905 F\n0.587109 0.072685 0.673889 F\n0.478393 0.551748 0.706594 F\n0.998028 0.397987 0.727048 F\n0.178285 0.909408 0.750552 F\n0.905428 0.113990 0.964538 F\n0.400904 0.250593 0.969346 F\n0.697208 0.742183 0.282026 Zr\n0.302792 0.242182 0.717974 Zr\n",
            "nsites": 18,
            "nelements": 3,
            "elements": [
                "Ce",
                "F",
                "Zr"
            ],
            "chemical_system": "Ce-F-Zr",
            "density": 4.542286711012857,
            "density_atomic": 0.0675731906076749,
            "volume": 266.37783177216994,
            "volume_molar": 8.91202665708671,
            "formula_full": "Ce2 Zr2 F14",
            "formula_reduced": "CeZrF7",
            "formula_anonymous": "ABC7",
            "formation_energy": -4.13197134015753,
            "spacegroup": 4
        },
        {
            "id": "oqmd-1442851",
            "created_at": "2022-09-04T15:50:48.870544Z",
            "updated_at": "2022-09-04T15:50:48.870568Z",
            "structure_string": "Sc3 F9\n1.0\n4.753831 0.000000 0.000000\n-2.376612 4.117294 0.000000\n-0.000255 -0.000236 7.103941\nF Sc\n9 3\ndirect\n0.675610 0.664422 0.174343 F\n0.988689 0.324363 0.174354 F\n0.335514 0.011250 0.174438 F\n0.676449 0.999582 0.500065 F\n0.323146 0.323503 0.500071 F\n0.000368 0.676808 0.500097 F\n0.664335 0.675040 0.825725 F\n0.010823 0.335783 0.825747 F\n0.325125 0.989327 0.825834 F\n0.333295 0.666623 0.336264 Sc\n0.666668 0.333292 0.663263 Sc\n0.000000 0.000000 0.999794 Sc\n",
            "nsites": 12,
            "nelements": 2,
            "elements": [
                "F",
                "Sc"
            ],
            "chemical_system": "F-Sc",
            "density": 3.652644421955188,
            "density_atomic": 0.08630307746548453,
            "volume": 139.0448678356713,
            "volume_molar": 6.977898050516744,
            "formula_full": "Sc3 F9",
            "formula_reduced": "ScF3",
            "formula_anonymous": "AB3",
            "formation_energy": -4.131813149764996,
            "spacegroup": 150
        },
        {
            "id": "oqmd-1016682",
            "created_at": "2022-09-04T15:27:47.292690Z",
            "updated_at": "2022-09-04T15:27:47.292710Z",
            "structure_string": "La4 O4 F4\n1.0\n8.073642 0.000000 0.000000\n0.000000 4.005314 0.000000\n0.000000 0.000000 5.712127\nF La O\n4 4 4\ndirect\n0.608388 0.749999 0.011372 F\n0.108389 0.749999 0.488627 F\n0.891611 0.249998 0.511372 F\n0.391611 0.249998 0.988628 F\n0.127665 0.249998 0.216310 La\n0.627663 0.249998 0.283689 La\n0.372335 0.749999 0.716309 La\n0.872336 0.749999 0.783691 La\n0.863299 0.249998 0.012612 O\n0.363300 0.249998 0.487388 O\n0.636700 0.749999 0.512611 O\n0.136699 0.749999 0.987389 O\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "F",
                "La",
                "O"
            ],
            "chemical_system": "F-La-O",
            "density": 6.253352834714791,
            "density_atomic": 0.06496468464219478,
            "volume": 184.715743116314,
            "volume_molar": 9.269868380287033,
            "formula_full": "La4 O4 F4",
            "formula_reduced": "LaOF",
            "formula_anonymous": "ABC",
            "formation_energy": -4.13160158916995,
            "spacegroup": 62
        },
        {
            "id": "oqmd-1439742",
            "created_at": "2022-09-04T15:50:46.428730Z",
            "updated_at": "2022-09-04T15:50:46.428763Z",
            "structure_string": "Ca4 F8\n1.0\n5.396964 0.000000 0.000000\n0.000000 5.396964 0.000000\n0.000000 0.000000 5.396964\nCa F\n4 8\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.846107 0.346106 0.153894 F\n0.653894 0.846107 0.153894 F\n0.346106 0.346106 0.346106 F\n0.153894 0.846107 0.346106 F\n0.846107 0.153894 0.653894 F\n0.653894 0.653894 0.653894 F\n0.346106 0.153894 0.846107 F\n0.153894 0.653894 0.846107 F\n",
            "nsites": 12,
            "nelements": 2,
            "elements": [
                "Ca",
                "F"
            ],
            "chemical_system": "Ca-F",
            "density": 3.2989173980820317,
            "density_atomic": 0.07633657712302085,
            "volume": 157.19856001221146,
            "volume_molar": 7.888932130523706,
            "formula_full": "Ca4 F8",
            "formula_reduced": "CaF2",
            "formula_anonymous": "AB2",
            "formation_energy": -4.131364436087404,
            "spacegroup": 205
        },
        {
            "id": "oqmd-14717",
            "created_at": "2022-09-04T15:17:42.343854Z",
            "updated_at": "2022-09-04T15:17:42.343880Z",
            "structure_string": "Th2 Zr4 F24\n1.0\n0.074501 0.000000 -7.765607\n4.845493 -5.146187 3.898122\n-4.845493 -5.146187 -3.898122\nF Th Zr\n24 2 4\ndirect\n0.000000 0.000000 0.000000 F\n0.500002 0.000000 0.000000 F\n0.888493 0.630851 0.061087 F\n0.337176 0.217788 0.071609 F\n0.286319 0.532341 0.162276 F\n0.662824 0.071609 0.217788 F\n0.137233 0.781689 0.218311 F\n0.576849 0.715623 0.284378 F\n0.866330 0.439840 0.313036 F\n0.888493 0.938913 0.369149 F\n0.500002 0.381733 0.381731 F\n0.133670 0.313036 0.439840 F\n0.286319 0.837725 0.467659 F\n0.713681 0.162276 0.532341 F\n0.866330 0.686965 0.560161 F\n0.500002 0.618267 0.618266 F\n0.111507 0.061087 0.630851 F\n0.133670 0.560161 0.686965 F\n0.423150 0.284378 0.715623 F\n0.862767 0.218311 0.781690 F\n0.337176 0.928391 0.782212 F\n0.713681 0.467659 0.837725 F\n0.662824 0.782211 0.928391 F\n0.111507 0.369149 0.938913 F\n0.000000 0.222944 0.222944 Th\n0.000000 0.777056 0.777056 Th\n0.430219 0.813123 0.186878 Zr\n0.774799 0.650799 0.349202 Zr\n0.225202 0.349202 0.650799 Zr\n0.569781 0.186878 0.813122 Zr\n",
            "nsites": 30,
            "nelements": 3,
            "elements": [
                "F",
                "Th",
                "Zr"
            ],
            "chemical_system": "F-Th-Zr",
            "density": 5.467161470267354,
            "density_atomic": 0.07686936718055916,
            "volume": 390.27249866039256,
            "volume_molar": 7.834253072299319,
            "formula_full": "Th2 Zr4 F24",
            "formula_reduced": "ThZr2F12",
            "formula_anonymous": "AB2C12",
            "formation_energy": -4.13129856430488,
            "spacegroup": 12
        },
        {
            "id": "oqmd-1442830",
            "created_at": "2022-09-04T15:55:08.818666Z",
            "updated_at": "2022-09-04T15:55:08.818694Z",
            "structure_string": "Sc3 F9\n1.0\n4.809156 0.000000 0.000000\n-2.404578 4.164852 0.000000\n0.000000 0.000000 6.981573\nF Sc\n9 3\ndirect\n0.324628 0.333796 0.175207 F\n0.009168 0.675372 0.175207 F\n0.666204 0.990832 0.175207 F\n0.325356 0.000000 0.500000 F\n0.000000 0.325356 0.500000 F\n0.674644 0.674644 0.500000 F\n0.675372 0.009168 0.824793 F\n0.333796 0.324628 0.824793 F\n0.990832 0.666204 0.824793 F\n0.000000 0.000000 0.000000 Sc\n0.666667 0.333333 0.336555 Sc\n0.333333 0.666667 0.663445 Sc\n",
            "nsites": 12,
            "nelements": 2,
            "elements": [
                "F",
                "Sc"
            ],
            "chemical_system": "F-Sc",
            "density": 3.6319565021839177,
            "density_atomic": 0.08581427238719994,
            "volume": 139.83687871704103,
            "volume_molar": 7.0176447256089105,
            "formula_full": "Sc3 F9",
            "formula_reduced": "ScF3",
            "formula_anonymous": "AB3",
            "formation_energy": -4.1306351372649965,
            "spacegroup": 150
        }
    ]
}