GET /third-parties/MatprojStructure/?format=api&ordering=volume&page=10133
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=volume&page=10134",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume&page=10132",
    "results": [
        {
            "id": "mp-30119",
            "created_at": "2022-09-04T14:43:04.677710Z",
            "structure_string": "Cs12 As4 O16\n1.0\n6.740911 0.000000 0.000000\n0.000000 9.198644 0.000000\n0.000000 0.000000 12.739895\nCs As O\n12 4 16\ndirect\n0.189810 0.992590 0.355120 Cs\n0.856257 0.750000 0.924232 Cs\n0.643743 0.750000 0.424232 Cs\n0.143743 0.250000 0.075768 Cs\n0.356257 0.250000 0.575768 Cs\n0.689810 0.007410 0.144880 Cs\n0.810190 0.492590 0.644880 Cs\n0.310190 0.507410 0.855120 Cs\n0.810190 0.007410 0.644880 Cs\n0.310190 0.992590 0.855120 Cs\n0.189810 0.507410 0.355120 Cs\n0.689810 0.492590 0.144880 Cs\n0.273973 0.750000 0.113669 As\n0.726027 0.250000 0.886331 As\n0.773973 0.250000 0.386331 As\n0.226027 0.750000 0.613669 As\n0.628350 0.405227 0.391878 O\n0.128350 0.594773 0.108122 O\n0.371650 0.905227 0.608122 O\n0.871650 0.094773 0.891878 O\n0.371650 0.594773 0.608122 O\n0.871650 0.405227 0.891878 O\n0.628350 0.094773 0.391878 O\n0.128350 0.905227 0.108122 O\n0.059610 0.750000 0.508988 O\n0.410941 0.750000 0.229549 O\n0.940390 0.250000 0.491012 O\n0.440390 0.750000 0.008988 O\n0.089059 0.750000 0.729549 O\n0.589059 0.250000 0.770451 O\n0.910941 0.250000 0.270451 O\n0.559610 0.250000 0.991012 O\n",
            "nsites": 32,
            "nelements": 3,
            "elements": [
                "Cs",
                "As",
                "O"
            ],
            "chemical_system": "As-Cs-O",
            "density": 4.520524402243225,
            "density_atomic": 0.04050808616373856,
            "volume": 789.965733524219,
            "volume_molar": 14.86651513393593,
            "formula_full": "Cs12 As4 O16",
            "formula_reduced": "Cs3AsO4",
            "formula_anonymous": "AB3C4",
            "energy": -172.75425260999998,
            "energy_per_atom": -5.398570394062499,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -161.76225261,
            "band_gap": 3.2518,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0029818,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:04.071000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1096574",
            "created_at": "2022-09-04T14:40:28.893281Z",
            "structure_string": "Mg1 Be1 Pt2\n1.0\n-4.571033 5.527814 7.815937\n4.571033 -5.527814 7.815937\n4.571033 5.527814 -7.815937\nMg Be Pt\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Be\n0.000000 0.224550 0.224550 Pt\n0.000000 0.775450 0.775450 Pt\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Mg",
                "Be",
                "Pt"
            ],
            "chemical_system": "Be-Mg-Pt",
            "density": 0.8901813610752701,
            "density_atomic": 0.005063504167828227,
            "volume": 789.9667636129602,
            "volume_molar": 118.93227615497233,
            "formula_full": "Mg1 Be1 Pt2",
            "formula_reduced": "MgBePt2",
            "formula_anonymous": "ABC2",
            "energy": -10.75640158,
            "energy_per_atom": -2.689100395,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -10.75640158,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0405626,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:58.080000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-868032",
            "created_at": "2022-09-04T14:41:34.196514Z",
            "structure_string": "Pb13 N4 O26\n1.0\n8.818616 -5.247446 0.000000\n8.818616 5.247446 0.000000\n5.696165 0.000000 8.535653\nPb N O\n13 4 26\ndirect\n0.661148 0.819330 0.382524 Pb\n0.382524 0.661148 0.819330 Pb\n0.819330 0.382524 0.661148 Pb\n0.338852 0.180670 0.617476 Pb\n0.617476 0.338852 0.180670 Pb\n0.180670 0.617476 0.338852 Pb\n0.500000 0.500000 0.500000 Pb\n0.921162 0.424592 0.243142 Pb\n0.243142 0.921162 0.424592 Pb\n0.424592 0.243142 0.921162 Pb\n0.078838 0.575408 0.756858 Pb\n0.756858 0.078838 0.575408 Pb\n0.575408 0.756858 0.078838 Pb\n0.069170 0.069170 0.069170 N\n0.930830 0.930830 0.930830 N\n0.278337 0.278337 0.278337 N\n0.721663 0.721663 0.721663 N\n0.770143 0.326031 0.492905 O\n0.492905 0.770143 0.326031 O\n0.326031 0.492905 0.770143 O\n0.229857 0.673969 0.507095 O\n0.507095 0.229857 0.673969 O\n0.673969 0.507095 0.229857 O\n0.596101 0.596101 0.596101 O\n0.403899 0.403899 0.403899 O\n0.161364 0.269549 0.403358 O\n0.403358 0.161364 0.269549 O\n0.269549 0.403358 0.161364 O\n0.838636 0.730451 0.596642 O\n0.596642 0.838636 0.730451 O\n0.730451 0.596642 0.838636 O\n0.859751 0.601363 0.342160 O\n0.342160 0.859751 0.601363 O\n0.601363 0.342160 0.859751 O\n0.140249 0.398637 0.657840 O\n0.657840 0.140249 0.398637 O\n0.398637 0.657840 0.140249 O\n0.794216 0.975956 0.022735 O\n0.022735 0.794216 0.975956 O\n0.975956 0.022735 0.794216 O\n0.205784 0.024044 0.977265 O\n0.977265 0.205784 0.024044 O\n0.024044 0.977265 0.205784 O\n",
            "nsites": 43,
            "nelements": 3,
            "elements": [
                "Pb",
                "N",
                "O"
            ],
            "chemical_system": "N-O-Pb",
            "density": 6.6541335673805815,
            "density_atomic": 0.05443187548349462,
            "volume": 789.9782915442422,
            "volume_molar": 11.063628997729637,
            "formula_full": "Pb13 N4 O26",
            "formula_reduced": "Pb13(N2O13)2",
            "formula_anonymous": "A4B13C26",
            "energy": -259.12438309,
            "energy_per_atom": -6.026148443953488,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -241.26238309,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0008882,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:29.954000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-1195560",
            "created_at": "2022-09-04T14:46:20.767915Z",
            "structure_string": "C24 F40\n1.0\n7.312221 0.000000 0.000000\n0.000000 9.769898 0.000000\n0.000000 4.933809 11.058046\nC F\n24 40\ndirect\n0.181883 0.760900 0.770227 C\n0.318117 0.760900 0.270227 C\n0.818117 0.239100 0.229773 C\n0.681883 0.239100 0.729773 C\n0.011219 0.728900 0.708035 C\n0.488781 0.728900 0.208035 C\n0.988781 0.271100 0.291965 C\n0.511219 0.271100 0.791965 C\n0.857860 0.647567 0.801545 C\n0.642140 0.647567 0.301545 C\n0.142140 0.352433 0.198455 C\n0.357860 0.352433 0.698455 C\n0.832607 0.713009 0.893526 C\n0.667393 0.713009 0.393526 C\n0.167393 0.286991 0.106474 C\n0.332607 0.286991 0.606474 C\n0.131649 0.853024 0.845472 C\n0.368351 0.853024 0.345472 C\n0.868351 0.146976 0.154528 C\n0.631649 0.146976 0.654528 C\n0.954744 0.802513 0.913926 C\n0.545256 0.802513 0.413926 C\n0.045256 0.197487 0.086074 C\n0.454744 0.197487 0.586074 C\n0.676153 0.674326 0.955704 F\n0.823847 0.674326 0.455704 F\n0.323847 0.325674 0.044296 F\n0.176153 0.325674 0.544296 F\n0.901170 0.496902 0.859164 F\n0.598830 0.496902 0.359164 F\n0.098830 0.503098 0.140836 F\n0.401170 0.503098 0.640836 F\n0.697547 0.656622 0.740689 F\n0.802453 0.656622 0.240689 F\n0.302453 0.343378 0.259311 F\n0.197547 0.343378 0.759311 F\n0.058662 0.643946 0.647507 F\n0.441338 0.643946 0.147507 F\n0.941338 0.356054 0.352493 F\n0.558662 0.356054 0.852493 F\n0.944807 0.863127 0.626148 F\n0.555193 0.863127 0.126148 F\n0.055193 0.136873 0.373852 F\n0.444807 0.136873 0.873852 F\n0.924312 0.857012 0.997163 F\n0.575688 0.857012 0.497163 F\n0.075688 0.142988 0.002837 F\n0.424312 0.142988 0.502837 F\n0.119876 0.003060 0.768005 F\n0.380124 0.003060 0.268005 F\n0.880124 0.996940 0.231995 F\n0.619876 0.996940 0.731995 F\n0.271790 0.841161 0.923903 F\n0.228210 0.841161 0.423903 F\n0.728210 0.158839 0.076097 F\n0.771790 0.158839 0.576097 F\n0.256373 0.626900 0.846659 F\n0.243627 0.626900 0.346659 F\n0.743627 0.373100 0.153341 F\n0.756373 0.373100 0.653341 F\n0.309317 0.836578 0.685294 F\n0.190683 0.836578 0.185294 F\n0.690683 0.163422 0.314706 F\n0.809317 0.163422 0.814706 F\n",
            "nsites": 64,
            "nelements": 2,
            "elements": [
                "C",
                "F"
            ],
            "chemical_system": "C-F",
            "density": 2.203294712016836,
            "density_atomic": 0.08101440437798109,
            "volume": 789.9829726748515,
            "volume_molar": 7.433419780392484,
            "formula_full": "C24 F40",
            "formula_reduced": "C3F5",
            "formula_anonymous": "A3B5",
            "energy": -392.17160362,
            "energy_per_atom": -6.1276813065625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -373.69160362,
            "band_gap": 4.573,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0013096,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:29.229000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1352014",
            "created_at": "2022-09-04T14:47:55.504816Z",
            "structure_string": "Na1 Al3 Fe6 S2 O38\n1.0\n8.683070 0.000000 0.000000\n-4.307214 7.647743 0.000000\n-0.125619 -4.975533 11.896285\nNa Al Fe S O\n1 3 6 2 38\ndirect\n0.993659 0.999052 0.998808 Na\n0.333355 0.166286 0.499196 Al\n0.666952 0.834695 0.502013 Al\n0.999289 0.498182 0.499319 Al\n0.669223 0.501770 0.496894 Fe\n0.331936 0.831687 0.503221 Fe\n0.001390 0.167093 0.500500 Fe\n0.333157 0.499834 0.498151 Fe\n0.663294 0.165877 0.498948 Fe\n0.995672 0.830987 0.503191 Fe\n0.394804 0.694031 0.904616 S\n0.600504 0.299529 0.095848 S\n0.694387 0.351250 0.969966 O\n0.309480 0.657730 0.030664 O\n0.243055 0.595509 0.861529 O\n0.487762 0.891606 0.872262 O\n0.535476 0.637896 0.866172 O\n0.765531 0.403712 0.129670 O\n0.506033 0.104408 0.135255 O\n0.457055 0.351737 0.137453 O\n0.394690 0.702858 0.581256 O\n0.725100 0.030467 0.580471 O\n0.729757 0.704987 0.582818 O\n0.604519 0.293214 0.416148 O\n0.271311 0.967791 0.423655 O\n0.269145 0.294838 0.417400 O\n0.395299 0.037773 0.583342 O\n0.060270 0.035422 0.583157 O\n0.391069 0.362132 0.577336 O\n0.613138 0.974967 0.419750 O\n0.941761 0.974879 0.420289 O\n0.616662 0.645458 0.418875 O\n0.723606 0.359182 0.578685 O\n0.052012 0.687554 0.581854 O\n0.049929 0.355410 0.581002 O\n0.271452 0.628673 0.419192 O\n0.940833 0.303897 0.419132 O\n0.942110 0.634393 0.418399 O\n0.478725 0.254401 0.835542 O\n0.946865 0.691800 0.830729 O\n0.918454 0.225331 0.826504 O\n0.522462 0.745064 0.169865 O\n0.070370 0.318959 0.164056 O\n0.089913 0.784070 0.166942 O\n0.331470 0.107692 0.856935 O\n0.913208 0.810311 0.853501 O\n0.044392 0.226246 0.850702 O\n0.664754 0.896357 0.146197 O\n0.086911 0.189779 0.147311 O\n0.957888 0.773320 0.145189 O\n",
            "nsites": 50,
            "nelements": 5,
            "elements": [
                "Na",
                "Al",
                "Fe",
                "S",
                "O"
            ],
            "chemical_system": "Al-Fe-Na-O-S",
            "density": 2.3355481536302793,
            "density_atomic": 0.06329247182121465,
            "volume": 789.9833670778012,
            "volume_molar": 9.514782069202537,
            "formula_full": "Na1 Al3 Fe6 S2 O38",
            "formula_reduced": "NaAl3Fe6(SO19)2",
            "formula_anonymous": "AB2C3D6E38",
            "energy": -247.54072588,
            "energy_per_atom": -4.9508145176,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -227.88672588,
            "band_gap": 0.0029,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.1456569,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:22.485000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1181360",
            "created_at": "2022-09-04T14:40:00.581637Z",
            "structure_string": "Na1 Al3 Fe6 S2 O38\n1.0\n4.386705 2.457306 11.874838\n-4.424255 2.403917 11.890079\n-0.066344 -5.106278 11.926183\nNa Al Fe S O\n1 3 6 2 38\ndirect\n0.000948 0.992466 0.005393 Na\n0.833714 0.832552 0.832931 Al\n0.165305 0.168964 0.167743 Al\n0.501818 0.498608 0.498892 Al\n0.498230 0.166117 0.832547 Fe\n0.168313 0.835158 0.499750 Fe\n0.832907 0.501890 0.165702 Fe\n0.500166 0.831308 0.166676 Fe\n0.834123 0.162241 0.502584 Fe\n0.169013 0.498862 0.835315 Fe\n0.305969 0.299419 0.299227 S\n0.700471 0.696352 0.699025 S\n0.648750 0.664353 0.656863 O\n0.342270 0.340143 0.348250 O\n0.404491 0.104584 0.352455 O\n0.108394 0.360024 0.403845 O\n0.362104 0.401647 0.102420 O\n0.596288 0.895202 0.638180 O\n0.895592 0.641288 0.598375 O\n0.648263 0.594509 0.894682 O\n0.297142 0.975946 0.308168 O\n0.969533 0.305571 0.305367 O\n0.295013 0.312575 0.975229 O\n0.706786 0.020666 0.688695 O\n0.032209 0.694966 0.696480 O\n0.705162 0.686545 0.025693 O\n0.962227 0.978641 0.642474 O\n0.964578 0.643427 0.975151 O\n0.637868 0.968405 0.971064 O\n0.025032 0.032888 0.361830 O\n0.025121 0.362050 0.033118 O\n0.354542 0.035537 0.028796 O\n0.640818 0.302291 0.635576 O\n0.312446 0.633866 0.635541 O\n0.644590 0.630932 0.305481 O\n0.371327 0.690644 0.357221 O\n0.696103 0.359965 0.363064 O\n0.365607 0.360510 0.692283 O\n0.745599 0.314267 0.775676 O\n0.308200 0.777595 0.744934 O\n0.774669 0.744958 0.306877 O\n0.254936 0.692327 0.222602 O\n0.681041 0.234426 0.248590 O\n0.215930 0.256856 0.694157 O\n0.892308 0.188405 0.776223 O\n0.189689 0.766709 0.897103 O\n0.773754 0.895094 0.181854 O\n0.103643 0.810952 0.231602 O\n0.810222 0.234222 0.102867 O\n0.226681 0.103077 0.815431 O\n",
            "nsites": 50,
            "nelements": 5,
            "elements": [
                "Na",
                "Al",
                "Fe",
                "S",
                "O"
            ],
            "chemical_system": "Al-Fe-Na-O-S",
            "density": 2.3355476731638403,
            "density_atomic": 0.06329245880075583,
            "volume": 789.9835295923581,
            "volume_molar": 9.514784026573613,
            "formula_full": "Na1 Al3 Fe6 S2 O38",
            "formula_reduced": "NaAl3Fe6(SO19)2",
            "formula_anonymous": "AB2C3D6E38",
            "energy": -307.80398777,
            "energy_per_atom": -6.1560797553999995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -288.14998777,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 29.9957226,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:47.570000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-19499",
            "created_at": "2022-09-04T14:42:54.268618Z",
            "structure_string": "K4 Y4 Mo8 O32\n1.0\n5.147414 0.000000 0.000000\n0.000000 8.102793 0.000000\n0.000000 0.000000 18.940809\nK Y Mo O\n4 4 8 32\ndirect\n0.000000 0.750000 0.775811 K\n0.500000 0.250000 0.724189 K\n0.000000 0.250000 0.224189 K\n0.500000 0.750000 0.275811 K\n0.500000 0.750000 0.503338 Y\n0.000000 0.250000 0.996662 Y\n0.500000 0.250000 0.496662 Y\n0.000000 0.750000 0.003338 Y\n0.477508 0.507864 0.900048 Mo\n0.977508 0.492136 0.599952 Mo\n0.022492 0.007864 0.599952 Mo\n0.522492 0.992136 0.900048 Mo\n0.522492 0.492136 0.099952 Mo\n0.022492 0.507864 0.400048 Mo\n0.977508 0.992136 0.400048 Mo\n0.477508 0.007864 0.099952 Mo\n0.599341 0.512598 0.813539 O\n0.099341 0.487402 0.686461 O\n0.900659 0.012598 0.686461 O\n0.400659 0.987402 0.813539 O\n0.400659 0.487402 0.186461 O\n0.900659 0.512598 0.313539 O\n0.099341 0.987402 0.313539 O\n0.599341 0.012598 0.186461 O\n0.752074 0.497482 0.964492 O\n0.252074 0.502518 0.535508 O\n0.747926 0.997482 0.535508 O\n0.247926 0.002518 0.964492 O\n0.247926 0.502518 0.035508 O\n0.747926 0.497482 0.464492 O\n0.252074 0.002518 0.464492 O\n0.752074 0.997482 0.035508 O\n0.266377 0.831568 0.095113 O\n0.766377 0.168432 0.404887 O\n0.233623 0.331568 0.404887 O\n0.733623 0.668432 0.095113 O\n0.733623 0.168432 0.904887 O\n0.233623 0.831568 0.595113 O\n0.766377 0.668432 0.595113 O\n0.266377 0.331568 0.904887 O\n0.258401 0.182795 0.092135 O\n0.758401 0.817205 0.407865 O\n0.241599 0.682795 0.407865 O\n0.741599 0.317205 0.092135 O\n0.741599 0.817205 0.907865 O\n0.241599 0.182795 0.592135 O\n0.758401 0.317205 0.592135 O\n0.258401 0.682795 0.907865 O\n",
            "nsites": 48,
            "nelements": 4,
            "elements": [
                "K",
                "Y",
                "Mo",
                "O"
            ],
            "chemical_system": "K-Mo-O-Y",
            "density": 3.765717700616617,
            "density_atomic": 0.06076015443902131,
            "volume": 789.991408731073,
            "volume_molar": 9.911332213685862,
            "formula_full": "K4 Y4 Mo8 O32",
            "formula_reduced": "KY(MoO4)2",
            "formula_anonymous": "ABC2D8",
            "energy": -397.43738083000005,
            "energy_per_atom": -8.279945433958334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -349.83738083,
            "band_gap": 3.589,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0314727,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:01.521000Z",
            "spacegroup": 60
        },
        {
            "id": "mp-1214609",
            "created_at": "2022-09-04T14:46:57.727220Z",
            "structure_string": "Ba6 Tm2 B18 O36\n1.0\n3.627796 -6.283527 0.000000\n3.627796 6.283527 0.000000\n0.000000 0.000000 17.329630\nBa Tm B O\n6 2 18 36\ndirect\n0.666667 0.333333 0.868205 Ba\n0.333333 0.666667 0.131795 Ba\n0.333333 0.666667 0.368205 Ba\n0.666667 0.333333 0.631795 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.551578 0.834702 0.918574 B\n0.448422 0.165298 0.081426 B\n0.283124 0.448422 0.918574 B\n0.448422 0.165298 0.418574 B\n0.716876 0.551578 0.081426 B\n0.551578 0.834702 0.581426 B\n0.165298 0.716876 0.918574 B\n0.716876 0.551578 0.418574 B\n0.834702 0.283124 0.081426 B\n0.283124 0.448422 0.581426 B\n0.834702 0.283124 0.418574 B\n0.165298 0.716876 0.581426 B\n0.505229 0.621920 0.750000 B\n0.494771 0.378080 0.250000 B\n0.116691 0.494771 0.750000 B\n0.883309 0.505229 0.250000 B\n0.378080 0.883309 0.750000 B\n0.621920 0.116691 0.250000 B\n0.542435 0.833265 0.750000 O\n0.457565 0.166735 0.250000 O\n0.290830 0.457565 0.750000 O\n0.709170 0.542435 0.250000 O\n0.166735 0.709170 0.750000 O\n0.833265 0.290830 0.250000 O\n0.918640 0.331886 0.750000 O\n0.081360 0.668114 0.250000 O\n0.413245 0.081360 0.750000 O\n0.586755 0.918640 0.250000 O\n0.668114 0.586755 0.750000 O\n0.331886 0.413245 0.250000 O\n0.752142 0.994495 0.920354 O\n0.247858 0.005505 0.079646 O\n0.242352 0.247858 0.920354 O\n0.247858 0.005505 0.420354 O\n0.757648 0.752142 0.079646 O\n0.752142 0.994495 0.579646 O\n0.005505 0.757648 0.920354 O\n0.757648 0.752142 0.420354 O\n0.994495 0.242352 0.079646 O\n0.242352 0.247858 0.579646 O\n0.994495 0.242352 0.420354 O\n0.005505 0.757648 0.579646 O\n0.495972 0.618413 0.918000 O\n0.504028 0.381587 0.082000 O\n0.122441 0.504028 0.918000 O\n0.504028 0.381587 0.418000 O\n0.877559 0.495972 0.082000 O\n0.495972 0.618413 0.582000 O\n0.381587 0.877559 0.918000 O\n0.877559 0.495972 0.418000 O\n0.618413 0.122441 0.082000 O\n0.122441 0.504028 0.582000 O\n0.618413 0.122441 0.418000 O\n0.381587 0.877559 0.582000 O\n",
            "nsites": 62,
            "nelements": 4,
            "elements": [
                "Ba",
                "Tm",
                "B",
                "O"
            ],
            "chemical_system": "B-Ba-O-Tm",
            "density": 4.0614585925952795,
            "density_atomic": 0.07847404881992216,
            "volume": 790.0701051155665,
            "volume_molar": 7.674053843990223,
            "formula_full": "Ba6 Tm2 B18 O36",
            "formula_reduced": "Ba3Tm(BO2)9",
            "formula_anonymous": "AB3C9D18",
            "energy": -513.41714684,
            "energy_per_atom": -8.280921723225806,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -488.68514684,
            "band_gap": 5.2609,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0089224,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:47.690000Z",
            "spacegroup": 176
        },
        {
            "id": "mp-1208357",
            "created_at": "2022-09-04T14:48:02.847460Z",
            "structure_string": "Tm4 S6 O40\n1.0\n3.284728 6.701890 0.000000\n-3.284728 6.701890 0.000000\n0.000000 2.924808 17.945491\nTm S O\n4 6 40\ndirect\n0.811638 0.848875 0.894860 Tm\n0.188362 0.151125 0.105140 Tm\n0.151125 0.188362 0.605140 Tm\n0.848875 0.811638 0.394860 Tm\n0.755318 0.811937 0.590660 S\n0.244682 0.188063 0.409340 S\n0.188063 0.244682 0.909340 S\n0.811937 0.755318 0.090660 S\n0.713115 0.286885 0.750000 S\n0.286885 0.713115 0.250000 S\n0.340961 0.265650 0.684101 O\n0.659039 0.734350 0.315899 O\n0.734350 0.659039 0.815899 O\n0.265650 0.340961 0.184101 O\n0.308043 0.378527 0.570127 O\n0.691957 0.621473 0.429873 O\n0.621473 0.691957 0.929873 O\n0.378527 0.308043 0.070127 O\n0.520325 0.886303 0.614370 O\n0.479675 0.113697 0.385630 O\n0.113697 0.479675 0.885630 O\n0.886303 0.520325 0.114370 O\n0.763624 0.907839 0.514118 O\n0.236376 0.092161 0.485882 O\n0.092161 0.236376 0.985882 O\n0.907839 0.763624 0.014118 O\n0.536486 0.383067 0.695510 O\n0.463514 0.616933 0.304490 O\n0.616933 0.463514 0.804490 O\n0.383067 0.536486 0.195510 O\n0.816289 0.888267 0.647123 O\n0.183711 0.111733 0.352877 O\n0.111733 0.183711 0.852877 O\n0.888267 0.816289 0.147123 O\n0.440227 0.093670 0.909406 O\n0.559773 0.906330 0.090594 O\n0.906330 0.559773 0.590594 O\n0.093670 0.440227 0.409406 O\n0.109463 0.884331 0.627913 O\n0.890537 0.115669 0.372087 O\n0.115669 0.890537 0.872087 O\n0.884331 0.109463 0.127913 O\n0.802361 0.126270 0.937241 O\n0.197639 0.873730 0.062759 O\n0.873730 0.197639 0.562759 O\n0.126270 0.802361 0.437241 O\n0.764060 0.072676 0.789477 O\n0.235940 0.927324 0.210523 O\n0.927324 0.235940 0.710523 O\n0.072676 0.764060 0.289477 O\n",
            "nsites": 50,
            "nelements": 3,
            "elements": [
                "Tm",
                "S",
                "O"
            ],
            "chemical_system": "O-S-Tm",
            "density": 3.1695529124508965,
            "density_atomic": 0.06328313058426269,
            "volume": 790.0999766979614,
            "volume_molar": 9.516186548295687,
            "formula_full": "Tm4 S6 O40",
            "formula_reduced": "Tm2S3O20",
            "formula_anonymous": "A2B3C20",
            "energy": -298.60394375000004,
            "energy_per_atom": -5.972078875000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -271.12394375,
            "band_gap": 0.2749000000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 31.9951356,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:19.429000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1201853",
            "created_at": "2022-09-04T14:46:04.654021Z",
            "structure_string": "Sr4 C12 O28\n1.0\n17.106819 0.000000 0.000000\n0.000000 6.382336 0.000000\n0.000000 5.823621 7.237096\nSr C O\n4 12 28\ndirect\n0.951048 0.853133 0.754387 Sr\n0.548952 0.853133 0.254387 Sr\n0.048952 0.146867 0.245613 Sr\n0.451048 0.146867 0.745613 Sr\n0.722127 0.051337 0.826214 C\n0.777873 0.051337 0.326214 C\n0.277873 0.948663 0.173786 C\n0.222127 0.948663 0.673786 C\n0.021846 0.495729 0.426783 C\n0.478154 0.495729 0.926783 C\n0.978154 0.504271 0.573217 C\n0.521846 0.504271 0.073217 C\n0.794620 0.606619 0.253251 C\n0.705380 0.606619 0.753251 C\n0.205380 0.393381 0.746749 C\n0.294620 0.393381 0.246749 C\n0.736568 0.530681 0.340701 O\n0.763432 0.530681 0.840701 O\n0.263432 0.469319 0.659299 O\n0.236568 0.469319 0.159299 O\n0.772685 0.082785 0.728745 O\n0.727315 0.082785 0.228745 O\n0.227315 0.917215 0.271255 O\n0.272685 0.917215 0.771255 O\n0.055109 0.598060 0.959388 O\n0.444891 0.598060 0.459388 O\n0.944891 0.401940 0.040612 O\n0.555109 0.401940 0.540612 O\n0.017181 0.273571 0.453393 O\n0.482819 0.273571 0.953393 O\n0.982819 0.726429 0.546607 O\n0.517181 0.726429 0.046607 O\n0.672248 0.016568 0.926344 O\n0.827752 0.016568 0.426344 O\n0.327752 0.983432 0.073656 O\n0.172248 0.983432 0.573656 O\n0.057941 0.702872 0.297538 O\n0.442059 0.702872 0.797538 O\n0.942059 0.297128 0.702462 O\n0.557941 0.297128 0.202462 O\n0.852158 0.683318 0.164430 O\n0.647842 0.683318 0.664430 O\n0.147842 0.316682 0.835570 O\n0.352158 0.316682 0.335570 O\n",
            "nsites": 44,
            "nelements": 3,
            "elements": [
                "Sr",
                "C",
                "O"
            ],
            "chemical_system": "C-O-Sr",
            "density": 1.9808856447784853,
            "density_atomic": 0.055685153167441985,
            "volume": 790.1567562846525,
            "volume_molar": 10.814625474570892,
            "formula_full": "Sr4 C12 O28",
            "formula_reduced": "SrC3O7",
            "formula_anonymous": "AB3C7",
            "energy": -336.68663784,
            "energy_per_atom": -7.651969041818182,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -317.45063784,
            "band_gap": 1.1056,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:15.336000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-556761",
            "created_at": "2022-09-04T14:41:10.028556Z",
            "structure_string": "Ba10 As6 Cl2 O24\n1.0\n5.396709 -9.347374 0.000000\n5.396709 9.347374 0.000000\n0.000000 0.000000 7.832494\nBa As Cl O\n10 6 2 24\ndirect\n0.666667 0.333333 0.501486 Ba\n0.333333 0.666667 0.498514 Ba\n0.005479 0.254235 0.250000 Ba\n0.333333 0.666667 0.001486 Ba\n0.745765 0.751244 0.250000 Ba\n0.248756 0.994521 0.250000 Ba\n0.751244 0.005479 0.750000 Ba\n0.994521 0.745765 0.750000 Ba\n0.666667 0.333333 0.998514 Ba\n0.254235 0.248756 0.750000 Ba\n0.966018 0.593823 0.250000 As\n0.593823 0.627805 0.750000 As\n0.372195 0.966018 0.750000 As\n0.406177 0.372195 0.250000 As\n0.033982 0.406177 0.750000 As\n0.627805 0.033982 0.250000 As\n0.000000 0.000000 0.000000 Cl\n0.000000 0.000000 0.500000 Cl\n0.644396 0.737410 0.927106 O\n0.333006 0.482326 0.250000 O\n0.355604 0.262590 0.427106 O\n0.408420 0.531016 0.750000 O\n0.093015 0.355604 0.572894 O\n0.666994 0.517674 0.750000 O\n0.850679 0.333006 0.750000 O\n0.122596 0.591580 0.750000 O\n0.591580 0.468984 0.250000 O\n0.737410 0.093015 0.072894 O\n0.093015 0.355604 0.927106 O\n0.877404 0.408420 0.250000 O\n0.468984 0.877404 0.750000 O\n0.906985 0.644396 0.072894 O\n0.906985 0.644396 0.427106 O\n0.482326 0.149321 0.750000 O\n0.355604 0.262590 0.072894 O\n0.737410 0.093015 0.427106 O\n0.149321 0.666994 0.250000 O\n0.262590 0.906985 0.927106 O\n0.517674 0.850679 0.250000 O\n0.262590 0.906985 0.572894 O\n0.644396 0.737410 0.572894 O\n0.531016 0.122596 0.250000 O\n",
            "nsites": 42,
            "nelements": 4,
            "elements": [
                "Ba",
                "As",
                "Cl",
                "O"
            ],
            "chemical_system": "As-Ba-Cl-O",
            "density": 4.786248622172941,
            "density_atomic": 0.053149673794752154,
            "volume": 790.2212187075918,
            "volume_molar": 11.330531929990151,
            "formula_full": "Ba10 As6 Cl2 O24",
            "formula_reduced": "Ba5As3ClO12",
            "formula_anonymous": "AB3C5D12",
            "energy": -284.77259659000003,
            "energy_per_atom": -6.780299918809525,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -267.05659659,
            "band_gap": 4.1566,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.000175,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:08.434000Z",
            "spacegroup": 176
        },
        {
            "id": "mp-14558",
            "created_at": "2022-09-04T14:40:42.928711Z",
            "structure_string": "Ba8 Mg4 P8 O32\n1.0\n8.964677 0.000000 0.000000\n0.000000 5.395178 0.000000\n0.000000 5.247296 16.338951\nBa Mg P O\n8 4 8 32\ndirect\n0.657567 0.524567 0.228615 Ba\n0.157567 0.475433 0.271385 Ba\n0.342433 0.475433 0.771385 Ba\n0.842433 0.524567 0.728615 Ba\n0.203965 0.681438 0.519711 Ba\n0.703965 0.318562 0.980289 Ba\n0.796035 0.318562 0.480289 Ba\n0.296035 0.681438 0.019711 Ba\n0.983624 0.906754 0.866089 Mg\n0.483624 0.093246 0.633911 Mg\n0.516376 0.906754 0.366089 Mg\n0.016376 0.093246 0.133911 Mg\n0.411783 0.313700 0.422499 P\n0.891467 0.916625 0.333335 P\n0.088217 0.313700 0.922499 P\n0.588217 0.686300 0.577501 P\n0.608533 0.916625 0.833335 P\n0.108533 0.083375 0.666665 P\n0.391467 0.083375 0.166665 P\n0.911783 0.686300 0.077501 P\n0.891009 0.204523 0.334521 O\n0.391009 0.795477 0.165479 O\n0.108991 0.795477 0.665479 O\n0.608991 0.204523 0.834521 O\n0.728053 0.813803 0.332296 O\n0.228053 0.186197 0.167704 O\n0.271947 0.186197 0.667704 O\n0.771947 0.813803 0.832296 O\n0.973316 0.737461 0.410178 O\n0.473316 0.262539 0.089822 O\n0.026684 0.262539 0.589822 O\n0.526684 0.737461 0.910178 O\n0.972654 0.897211 0.254987 O\n0.472654 0.102789 0.245013 O\n0.027346 0.102789 0.745013 O\n0.527346 0.897211 0.754987 O\n0.864307 0.399173 0.123193 O\n0.364307 0.600827 0.376807 O\n0.135693 0.600827 0.876807 O\n0.635693 0.399173 0.623193 O\n0.585266 0.729267 0.485007 O\n0.085266 0.270733 0.014993 O\n0.414734 0.270733 0.514993 O\n0.914734 0.729267 0.985007 O\n0.698815 0.877939 0.599020 O\n0.198815 0.122061 0.900980 O\n0.301185 0.122061 0.400980 O\n0.801185 0.877939 0.099020 O\n0.434341 0.737061 0.612639 O\n0.934341 0.262939 0.887361 O\n0.565659 0.262939 0.387361 O\n0.065659 0.737061 0.112639 O\n",
            "nsites": 52,
            "nelements": 4,
            "elements": [
                "Ba",
                "Mg",
                "P",
                "O"
            ],
            "chemical_system": "Ba-Mg-O-P",
            "density": 4.109283109493846,
            "density_atomic": 0.06580194777877009,
            "volume": 790.2501636399423,
            "volume_molar": 9.151918694332243,
            "formula_full": "Ba8 Mg4 P8 O32",
            "formula_reduced": "Ba2Mg(PO4)2",
            "formula_anonymous": "AB2C2D8",
            "energy": -391.52947097,
            "energy_per_atom": -7.529412903269231,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -369.54547097,
            "band_gap": 4.6678,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006993,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:06.008000Z",
            "spacegroup": 14
        }
    ]
}