GET /third-parties/MatprojStructure/?format=api&ordering=-volume&page=1732
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=1733",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=1731",
    "results": [
        {
            "id": "mp-1219868",
            "created_at": "2022-09-04T14:44:45.164595Z",
            "structure_string": "Pr4 Nd4 Co56 B4\n1.0\n8.632565 0.000000 0.000000\n0.000000 8.632565 0.000000\n0.000000 0.000000 11.800189\nPr Nd Co B\n4 4 56 4\ndirect\n0.225791 0.774209 0.500000 Pr\n0.774209 0.225791 0.500000 Pr\n0.274209 0.274209 0.000000 Pr\n0.725791 0.725791 0.000000 Pr\n0.644854 0.644854 0.500000 Nd\n0.355146 0.355146 0.500000 Nd\n0.855146 0.144854 0.000000 Nd\n0.144854 0.855146 0.000000 Nd\n0.401421 0.598579 0.294145 Co\n0.598579 0.401421 0.294145 Co\n0.098579 0.098579 0.794145 Co\n0.901421 0.901421 0.794145 Co\n0.598579 0.401421 0.705855 Co\n0.401421 0.598579 0.705855 Co\n0.901421 0.901421 0.205855 Co\n0.098579 0.098579 0.205855 Co\n0.181996 0.818004 0.252964 Co\n0.818004 0.181996 0.252964 Co\n0.318004 0.318004 0.752964 Co\n0.681996 0.681996 0.752964 Co\n0.818004 0.181996 0.747036 Co\n0.181996 0.818004 0.747036 Co\n0.681996 0.681996 0.247036 Co\n0.318004 0.318004 0.247036 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.139466 0.536251 0.320515 Co\n0.860534 0.463749 0.320515 Co\n0.360534 0.036251 0.820515 Co\n0.639466 0.963749 0.820515 Co\n0.860534 0.463749 0.679485 Co\n0.139466 0.536251 0.679485 Co\n0.639466 0.963749 0.179485 Co\n0.360534 0.036251 0.179485 Co\n0.536251 0.139466 0.320515 Co\n0.463749 0.860534 0.320515 Co\n0.036251 0.360534 0.820515 Co\n0.963749 0.639466 0.820515 Co\n0.463749 0.860534 0.679485 Co\n0.536251 0.139466 0.679485 Co\n0.963749 0.639466 0.179485 Co\n0.036251 0.360534 0.179485 Co\n0.930228 0.724075 0.372930 Co\n0.069772 0.275925 0.372930 Co\n0.569772 0.224075 0.872930 Co\n0.430228 0.775925 0.872930 Co\n0.069772 0.275925 0.627070 Co\n0.930228 0.724075 0.627070 Co\n0.430228 0.775925 0.127070 Co\n0.569772 0.224075 0.127070 Co\n0.724075 0.930228 0.372930 Co\n0.275925 0.069772 0.372930 Co\n0.224075 0.569772 0.872930 Co\n0.775925 0.430228 0.872930 Co\n0.275925 0.069772 0.627070 Co\n0.724075 0.930228 0.627070 Co\n0.775925 0.430228 0.127070 Co\n0.224075 0.569772 0.127070 Co\n0.500000 0.500000 0.116144 Co\n0.000000 0.000000 0.616144 Co\n0.500000 0.500000 0.883856 Co\n0.000000 0.000000 0.383856 Co\n0.877615 0.877615 0.500000 B\n0.122385 0.122385 0.500000 B\n0.622385 0.377615 0.000000 B\n0.377615 0.622385 0.000000 B\n",
            "nsites": 68,
            "nelements": 4,
            "elements": [
                "Pr",
                "Nd",
                "Co",
                "B"
            ],
            "chemical_system": "B-Co-Nd-Pr",
            "density": 8.467512693849404,
            "density_atomic": 0.07732861560192217,
            "volume": 879.3639905575875,
            "volume_molar": 7.787726074136915,
            "formula_full": "Pr4 Nd4 Co56 B4",
            "formula_reduced": "PrNdCo14B",
            "formula_anonymous": "ABCD14",
            "energy": -470.53464307,
            "energy_per_atom": -6.919627103970589,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -470.53464307,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 72.7820634,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:44.727000Z",
            "spacegroup": 136
        },
        {
            "id": "mp-570147",
            "created_at": "2022-09-04T14:45:20.049669Z",
            "structure_string": "Sc12 Si22 Ni36\n1.0\n-4.012534 6.113732 8.960445\n4.012534 -6.113732 8.960445\n4.012534 6.113732 -8.960445\nSc Si Ni\n12 22 36\ndirect\n0.810176 0.310176 0.500000 Sc\n0.189824 0.689824 0.500000 Sc\n0.468542 0.284951 0.183591 Sc\n0.370255 0.870255 0.500000 Sc\n0.531458 0.715049 0.816409 Sc\n0.629745 0.129745 0.500000 Sc\n0.182453 0.795976 0.978430 Sc\n0.898640 0.715049 0.183591 Sc\n0.817547 0.204024 0.021570 Sc\n0.101360 0.284951 0.816409 Sc\n0.182453 0.204024 0.386477 Sc\n0.817547 0.795976 0.613523 Sc\n0.331658 0.509638 0.177980 Si\n0.500000 0.767352 0.267352 Si\n0.675046 0.100874 0.089737 Si\n0.674492 0.500000 0.174492 Si\n0.166651 0.883424 0.283227 Si\n0.331658 0.153678 0.822020 Si\n0.011136 0.100874 0.425827 Si\n0.600197 0.883424 0.716773 Si\n0.324954 0.414691 0.425827 Si\n0.399803 0.116576 0.283227 Si\n0.668342 0.846322 0.177980 Si\n0.500000 0.232648 0.732648 Si\n0.675046 0.585309 0.574173 Si\n0.000000 0.000000 0.000000 Si\n0.324954 0.899126 0.910263 Si\n0.988864 0.414691 0.089737 Si\n0.668342 0.490362 0.822020 Si\n0.833349 0.116576 0.716773 Si\n0.000000 0.500000 0.500000 Si\n0.988864 0.899126 0.574173 Si\n0.011136 0.585309 0.910263 Si\n0.325508 0.500000 0.825508 Si\n0.268012 0.638322 0.074958 Ni\n0.436636 0.806946 0.074958 Ni\n0.987210 0.886851 0.100359 Ni\n0.213508 0.113149 0.100359 Ni\n0.731988 0.806946 0.370310 Ni\n0.436636 0.361678 0.629690 Ni\n0.209802 0.376843 0.167041 Ni\n0.563364 0.638322 0.370310 Ni\n0.209802 0.042760 0.832959 Ni\n0.618216 0.000000 0.618216 Ni\n0.012790 0.113149 0.899641 Ni\n0.093072 0.420602 0.672469 Ni\n0.075610 0.806076 0.730466 Ni\n0.568849 0.568849 0.000000 Ni\n0.126540 0.612723 0.174860 Ni\n0.268012 0.193054 0.629690 Ni\n0.381784 0.000000 0.381784 Ni\n0.906928 0.579398 0.327531 Ni\n0.790198 0.623157 0.832959 Ni\n0.786492 0.886851 0.899641 Ni\n0.437862 0.612723 0.486183 Ni\n0.251867 0.579398 0.672469 Ni\n0.437862 0.951679 0.825140 Ni\n0.790198 0.957240 0.167041 Ni\n0.431151 0.431151 0.000000 Ni\n0.873460 0.048321 0.486183 Ni\n0.924390 0.193924 0.269534 Ni\n0.563364 0.193054 0.925042 Ni\n0.562138 0.048321 0.174860 Ni\n0.562138 0.387277 0.513817 Ni\n0.731988 0.361678 0.925042 Ni\n0.126540 0.951679 0.513817 Ni\n0.075610 0.345144 0.269534 Ni\n0.873460 0.387277 0.825140 Ni\n0.748133 0.420602 0.327531 Ni\n0.924390 0.654856 0.730466 Ni\n",
            "nsites": 70,
            "nelements": 3,
            "elements": [
                "Sc",
                "Si",
                "Ni"
            ],
            "chemical_system": "Ni-Sc-Si",
            "density": 6.176236311273337,
            "density_atomic": 0.07961288235249629,
            "volume": 879.2546875776459,
            "volume_molar": 7.564279274974867,
            "formula_full": "Sc12 Si22 Ni36",
            "formula_reduced": "Sc6Si11Ni18",
            "formula_anonymous": "A6B11C18",
            "energy": -455.38653134,
            "energy_per_atom": -6.505521876285714,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -456.94853134,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001984,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:07.117000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-1198746",
            "created_at": "2022-09-04T14:42:38.380554Z",
            "structure_string": "Na4 Nb4 S24\n1.0\n0.178560 0.000000 -11.262291\n-3.628929 -10.797930 0.878831\n-3.628929 10.797930 0.878831\nNa Nb S\n4 4 24\ndirect\n0.296158 0.556449 0.916271 Na\n0.203842 0.083729 0.443551 Na\n0.703842 0.443551 0.083729 Na\n0.796158 0.916271 0.556449 Na\n0.057927 0.216988 0.097401 Nb\n0.442073 0.902599 0.783012 Nb\n0.942073 0.783012 0.902599 Nb\n0.557927 0.097401 0.216988 Nb\n0.100078 0.903406 0.867935 S\n0.399922 0.132065 0.096594 S\n0.899922 0.096594 0.132065 S\n0.600078 0.867935 0.903406 S\n0.219768 0.250109 0.982658 S\n0.280232 0.017342 0.749891 S\n0.780232 0.749891 0.017342 S\n0.719768 0.982658 0.250109 S\n0.892027 0.248451 0.976528 S\n0.607973 0.023472 0.751549 S\n0.107973 0.751549 0.023472 S\n0.392027 0.976528 0.248451 S\n0.036238 0.495389 0.150582 S\n0.463762 0.849418 0.504611 S\n0.963762 0.504611 0.849418 S\n0.536238 0.150582 0.495389 S\n0.010809 0.265942 0.607827 S\n0.489191 0.392173 0.734058 S\n0.989191 0.734058 0.392173 S\n0.510809 0.607827 0.265942 S\n0.845341 0.538331 0.562410 S\n0.654659 0.437590 0.461669 S\n0.154659 0.461669 0.437590 S\n0.345341 0.562410 0.538331 S\n",
            "nsites": 32,
            "nelements": 3,
            "elements": [
                "Na",
                "Nb",
                "S"
            ],
            "chemical_system": "Na-Nb-S",
            "density": 2.3289389423133624,
            "density_atomic": 0.036395272819513026,
            "volume": 879.2350632646849,
            "volume_molar": 16.54649160033574,
            "formula_full": "Na4 Nb4 S24",
            "formula_reduced": "NaNbS6",
            "formula_anonymous": "ABC6",
            "energy": -169.33996694,
            "energy_per_atom": -5.291873966875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -157.26796694,
            "band_gap": 0.6098000000000001,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003309,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:51.994000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1199367",
            "created_at": "2022-09-04T14:48:22.760761Z",
            "structure_string": "U4 P8 H8 C4 O36\n1.0\n18.713220 0.000000 0.000000\n0.000000 8.212204 0.000000\n0.000000 0.000000 5.721272\nU P H C O\n4 8 8 4 36\ndirect\n0.893184 0.257563 0.504410 U\n0.106816 0.742437 0.004410 U\n0.606816 0.757563 0.004410 U\n0.393184 0.242437 0.504410 U\n0.772569 0.578883 0.296877 P\n0.227431 0.421117 0.796877 P\n0.727431 0.078883 0.796877 P\n0.272569 0.921117 0.296877 P\n0.931326 0.663832 0.279560 P\n0.068674 0.336168 0.779560 P\n0.568674 0.163832 0.779560 P\n0.431326 0.836168 0.279560 P\n0.829695 0.829616 0.193073 H\n0.170305 0.170384 0.693073 H\n0.670305 0.329616 0.693073 H\n0.329695 0.670384 0.193073 H\n0.843008 0.677806 0.974369 H\n0.156992 0.322194 0.474369 H\n0.656992 0.177806 0.474369 H\n0.343008 0.822194 0.974369 H\n0.842492 0.700398 0.163999 C\n0.157508 0.299602 0.663999 C\n0.657508 0.200398 0.663999 C\n0.342492 0.799602 0.163999 C\n0.941839 0.742541 0.522901 O\n0.058161 0.257459 0.022901 O\n0.558161 0.242541 0.022901 O\n0.441839 0.757459 0.522901 O\n0.905899 0.025383 0.760454 O\n0.094101 0.974617 0.260454 O\n0.594101 0.525383 0.260454 O\n0.405899 0.474617 0.760454 O\n0.941087 0.478569 0.303799 O\n0.058913 0.521431 0.803799 O\n0.558913 0.978569 0.803799 O\n0.441087 0.021431 0.303799 O\n0.905247 0.117176 0.265428 O\n0.094753 0.882824 0.765428 O\n0.594753 0.617176 0.765428 O\n0.405247 0.382824 0.265428 O\n0.795876 0.398927 0.320411 O\n0.204124 0.601073 0.820411 O\n0.704124 0.898927 0.820411 O\n0.295876 0.101073 0.320411 O\n0.878920 0.385652 0.755651 O\n0.121080 0.614348 0.255651 O\n0.621080 0.885652 0.255651 O\n0.378920 0.114348 0.755651 O\n0.984960 0.746219 0.114818 O\n0.015040 0.253781 0.614818 O\n0.515040 0.246219 0.614818 O\n0.484960 0.753781 0.114818 O\n0.759560 0.625399 0.554188 O\n0.240440 0.374601 0.054188 O\n0.740440 0.125399 0.054188 O\n0.259560 0.874601 0.554188 O\n0.706788 0.601852 0.138273 O\n0.293212 0.398148 0.638273 O\n0.793212 0.101852 0.638273 O\n0.206788 0.898148 0.138273 O\n",
            "nsites": 60,
            "nelements": 5,
            "elements": [
                "U",
                "P",
                "H",
                "C",
                "O"
            ],
            "chemical_system": "C-H-O-P-U",
            "density": 3.459963013895308,
            "density_atomic": 0.06824178881400894,
            "volume": 879.2266592472876,
            "volume_molar": 8.824711169886204,
            "formula_full": "U4 P8 H8 C4 O36",
            "formula_reduced": "UP2H2CO9",
            "formula_anonymous": "ABC2D2E9",
            "energy": -436.0799824,
            "energy_per_atom": -7.267999706666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -411.3479824,
            "band_gap": 0.3087999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 17.074471,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:10.799000Z",
            "spacegroup": 33
        },
        {
            "id": "mp-19481",
            "created_at": "2022-09-04T14:40:40.682131Z",
            "structure_string": "Rb8 V4 P8 O32\n1.0\n7.183343 0.000000 0.000000\n0.000000 9.224833 0.000000\n0.000000 0.000000 13.268267\nRb V P O\n8 4 8 32\ndirect\n0.767086 0.389317 0.589432 Rb\n0.267086 0.110683 0.410568 Rb\n0.232914 0.889317 0.910568 Rb\n0.732914 0.610683 0.089432 Rb\n0.728842 0.169955 0.911129 Rb\n0.228842 0.330045 0.088871 Rb\n0.271158 0.669955 0.588871 Rb\n0.771158 0.830045 0.411129 Rb\n0.745004 0.245498 0.305501 V\n0.245004 0.254502 0.694499 V\n0.254996 0.745498 0.194499 V\n0.754996 0.754502 0.805501 V\n0.584995 0.007172 0.664923 P\n0.084995 0.492828 0.335077 P\n0.415005 0.507172 0.835077 P\n0.915005 0.992828 0.164923 P\n0.489374 0.528526 0.346712 P\n0.989374 0.971474 0.653288 P\n0.510626 0.028526 0.153288 P\n0.010626 0.471474 0.846712 P\n0.527727 0.921750 0.573771 O\n0.027727 0.578250 0.426229 O\n0.472273 0.421750 0.926229 O\n0.972273 0.078250 0.073771 O\n0.590324 0.919705 0.764994 O\n0.090324 0.580295 0.235006 O\n0.409676 0.419705 0.735006 O\n0.909676 0.080295 0.264994 O\n0.299125 0.431517 0.348637 O\n0.799125 0.068483 0.651363 O\n0.700875 0.931517 0.151363 O\n0.200875 0.568483 0.848637 O\n0.483979 0.152190 0.683822 O\n0.983979 0.347810 0.316178 O\n0.516021 0.652190 0.816178 O\n0.016021 0.847810 0.183822 O\n0.557407 0.171502 0.210428 O\n0.057407 0.328498 0.789572 O\n0.442593 0.671502 0.289572 O\n0.942593 0.828498 0.710428 O\n0.874232 0.560741 0.781386 O\n0.374232 0.939259 0.218614 O\n0.125768 0.060741 0.718614 O\n0.625768 0.439259 0.281386 O\n0.825448 0.801202 0.917188 O\n0.325448 0.698798 0.082812 O\n0.174552 0.301202 0.582812 O\n0.674552 0.198798 0.417188 O\n0.949376 0.441981 0.953015 O\n0.449376 0.058019 0.046985 O\n0.050624 0.941981 0.546985 O\n0.550624 0.558019 0.453015 O\n",
            "nsites": 52,
            "nelements": 4,
            "elements": [
                "Rb",
                "V",
                "P",
                "O"
            ],
            "chemical_system": "O-P-Rb-V",
            "density": 3.111121829838769,
            "density_atomic": 0.059143091818363275,
            "volume": 879.2235644308095,
            "volume_molar": 10.1823232009832,
            "formula_full": "Rb8 V4 P8 O32",
            "formula_reduced": "Rb2V(PO4)2",
            "formula_anonymous": "AB2C2D8",
            "energy": -384.72553537,
            "energy_per_atom": -7.398567987884615,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -355.94153537,
            "band_gap": 2.6422,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9998396,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:02.520000Z",
            "spacegroup": 19
        },
        {
            "id": "mp-1096064",
            "created_at": "2022-09-04T14:39:13.368656Z",
            "structure_string": "Zr1 Zn1 Pd2\n1.0\n-4.924554 5.617689 7.945197\n4.924554 -5.617689 7.945197\n4.924554 5.617689 -7.945197\nZr Zn Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Zn\n0.000000 0.261111 0.261111 Pd\n0.000000 0.738889 0.738889 Pd\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Zr",
                "Zn",
                "Pd"
            ],
            "chemical_system": "Pd-Zn-Zr",
            "density": 0.6978186084864356,
            "density_atomic": 0.0045495740004870625,
            "volume": 879.2031956336511,
            "volume_molar": 132.36713501869164,
            "formula_full": "Zr1 Zn1 Pd2",
            "formula_reduced": "ZrZnPd2",
            "formula_anonymous": "ABC2",
            "energy": -13.37639022,
            "energy_per_atom": -3.344097555,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -13.37639022,
            "band_gap": 0.3182,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.8525489,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:38.885000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-21658",
            "created_at": "2022-09-04T14:47:30.484751Z",
            "structure_string": "Sm20 Ga12\n1.0\n7.771584 0.000000 0.000000\n0.000000 7.771584 0.000000\n0.000000 0.000000 14.556530\nSm Ga\n20 12\ndirect\n0.343858 0.314259 0.896611 Sm\n0.843858 0.185741 0.603389 Sm\n0.814259 0.156142 0.896611 Sm\n0.185741 0.843858 0.896611 Sm\n0.500000 0.000000 0.221128 Sm\n0.000000 0.500000 0.278872 Sm\n0.000000 0.500000 0.778872 Sm\n0.500000 0.000000 0.721128 Sm\n0.656142 0.685741 0.896611 Sm\n0.314259 0.343858 0.603389 Sm\n0.685741 0.656142 0.603389 Sm\n0.156142 0.814259 0.603389 Sm\n0.314259 0.656142 0.103389 Sm\n0.685741 0.343858 0.103389 Sm\n0.656142 0.314259 0.396611 Sm\n0.156142 0.185741 0.103389 Sm\n0.843858 0.814259 0.103389 Sm\n0.185741 0.156142 0.396611 Sm\n0.814259 0.843858 0.396611 Sm\n0.343858 0.685741 0.396611 Sm\n0.879450 0.879450 0.750000 Ga\n0.620550 0.379450 0.750000 Ga\n0.379450 0.620550 0.750000 Ga\n0.120550 0.120550 0.750000 Ga\n0.620550 0.620550 0.250000 Ga\n0.879450 0.120550 0.250000 Ga\n0.120550 0.879450 0.250000 Ga\n0.379450 0.379450 0.250000 Ga\n0.000000 0.500000 0.992594 Ga\n0.500000 0.000000 0.507406 Ga\n0.500000 0.000000 0.007406 Ga\n0.000000 0.500000 0.492594 Ga\n",
            "nsites": 32,
            "nelements": 2,
            "elements": [
                "Sm",
                "Ga"
            ],
            "chemical_system": "Ga-Sm",
            "density": 7.260081833978488,
            "density_atomic": 0.03639762343921315,
            "volume": 879.1782807864497,
            "volume_molar": 16.54542300009626,
            "formula_full": "Sm20 Ga12",
            "formula_reduced": "Sm5Ga3",
            "formula_anonymous": "A3B5",
            "energy": -145.52792985,
            "energy_per_atom": -4.5477478078125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -145.52792985,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0015884,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:05.483000Z",
            "spacegroup": 130
        },
        {
            "id": "mp-1173190",
            "created_at": "2022-09-04T14:40:15.995507Z",
            "structure_string": "Sr9 Th1 Cl22\n1.0\n3.511683 -17.774255 0.000000\n3.511683 17.774255 0.000000\n0.000000 0.000000 7.042621\nSr Th Cl\n9 1 22\ndirect\n0.500000 0.500000 0.500000 Sr\n0.399522 0.600478 0.000000 Sr\n0.299843 0.700157 0.500000 Sr\n0.199994 0.800006 0.000000 Sr\n0.899543 0.100457 0.500000 Sr\n0.800006 0.199994 0.000000 Sr\n0.100457 0.899543 0.500000 Sr\n0.700157 0.299843 0.500000 Sr\n0.600478 0.399522 0.000000 Sr\n0.000000 0.000000 0.000000 Th\n0.100593 0.401305 0.250994 Cl\n0.598695 0.899407 0.749006 Cl\n0.500000 0.000000 0.249785 Cl\n0.286439 0.179061 0.767349 Cl\n0.401305 0.100593 0.749006 Cl\n0.000000 0.500000 0.750215 Cl\n0.179061 0.286439 0.232651 Cl\n0.286439 0.179061 0.232651 Cl\n0.820939 0.713561 0.232651 Cl\n0.500000 0.500000 0.000000 Cl\n0.899407 0.598695 0.250994 Cl\n0.179061 0.286439 0.767349 Cl\n0.100593 0.401305 0.749006 Cl\n0.820939 0.713561 0.767349 Cl\n0.713561 0.820939 0.767349 Cl\n0.000000 0.500000 0.249785 Cl\n0.713561 0.820939 0.232651 Cl\n0.000000 0.000000 0.500000 Cl\n0.598695 0.899407 0.250994 Cl\n0.500000 0.000000 0.750215 Cl\n0.401305 0.100593 0.250994 Cl\n0.899407 0.598695 0.749006 Cl\n",
            "nsites": 32,
            "nelements": 3,
            "elements": [
                "Sr",
                "Th",
                "Cl"
            ],
            "chemical_system": "Cl-Sr-Th",
            "density": 3.4008812977909675,
            "density_atomic": 0.0363981200907467,
            "volume": 879.1662844184963,
            "volume_molar": 16.545197238169937,
            "formula_full": "Sr9 Th1 Cl22",
            "formula_reduced": "Sr9ThCl22",
            "formula_anonymous": "AB9C22",
            "energy": -151.12544335,
            "energy_per_atom": -4.7226701046875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -137.61744335,
            "band_gap": 1.9808,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0095334,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:55.168000Z",
            "spacegroup": 65
        },
        {
            "id": "mp-1043375",
            "created_at": "2022-09-04T14:40:17.522217Z",
            "structure_string": "Mg4 Si16 Sn4 O40\n1.0\n7.642813 0.000000 0.000000\n0.000000 7.642813 0.000000\n0.000000 0.000000 15.050762\nMg Si Sn O\n4 16 4 40\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.137641 0.239286 0.648362 Si\n0.862359 0.760714 0.648362 Si\n0.239286 0.137641 0.851638 Si\n0.739286 0.362359 0.648362 Si\n0.260714 0.637641 0.648362 Si\n0.362359 0.739286 0.851638 Si\n0.637641 0.260714 0.851638 Si\n0.760714 0.862359 0.851638 Si\n0.362359 0.260714 0.351638 Si\n0.637641 0.739286 0.351638 Si\n0.260714 0.362359 0.148362 Si\n0.760714 0.137641 0.351638 Si\n0.239286 0.862359 0.351638 Si\n0.137641 0.760714 0.148362 Si\n0.862359 0.239286 0.148362 Si\n0.739286 0.637641 0.148362 Si\n0.500000 0.000000 0.597542 Sn\n0.000000 0.500000 0.902458 Sn\n0.000000 0.500000 0.402458 Sn\n0.500000 0.000000 0.097542 Sn\n0.200268 0.095300 0.576173 O\n0.799732 0.904700 0.576173 O\n0.095300 0.200268 0.923827 O\n0.595300 0.299732 0.576173 O\n0.404700 0.700268 0.576173 O\n0.299732 0.595300 0.923827 O\n0.700268 0.404700 0.923827 O\n0.904700 0.799732 0.923827 O\n0.299732 0.404700 0.423827 O\n0.700268 0.595300 0.423827 O\n0.404700 0.299732 0.076173 O\n0.904700 0.200268 0.423827 O\n0.095300 0.799732 0.423827 O\n0.200268 0.904700 0.076173 O\n0.799732 0.095300 0.076173 O\n0.266367 0.072138 0.366076 O\n0.595300 0.700268 0.076173 O\n0.766367 0.572138 0.633924 O\n0.427862 0.233633 0.866076 O\n0.927862 0.266367 0.633924 O\n0.072138 0.733633 0.633924 O\n0.266367 0.927862 0.866076 O\n0.733633 0.072138 0.866076 O\n0.572138 0.766367 0.866076 O\n0.676838 0.676838 0.250000 O\n0.823162 0.176838 0.250000 O\n0.176838 0.823162 0.250000 O\n0.323162 0.323162 0.250000 O\n0.823162 0.823162 0.750000 O\n0.676838 0.323162 0.750000 O\n0.323162 0.676838 0.750000 O\n0.176838 0.176838 0.750000 O\n0.927862 0.733633 0.133924 O\n0.766367 0.427862 0.133924 O\n0.233633 0.572138 0.133924 O\n0.427862 0.766367 0.366076 O\n0.572138 0.233633 0.366076 O\n0.072138 0.266367 0.133924 O\n0.733633 0.927862 0.366076 O\n0.233633 0.427862 0.633924 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Mg",
                "Si",
                "Sn",
                "O"
            ],
            "chemical_system": "Mg-O-Si-Sn",
            "density": 3.138046636884096,
            "density_atomic": 0.07279725751103543,
            "volume": 879.153998216185,
            "volume_molar": 8.272483010897897,
            "formula_full": "Mg4 Si16 Sn4 O40",
            "formula_reduced": "MgSi4SnO10",
            "formula_anonymous": "ABC4D10",
            "energy": -496.61833454,
            "energy_per_atom": -7.7596614771875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -469.13833454,
            "band_gap": 2.4399,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0939826,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:53.277000Z",
            "spacegroup": 130
        },
        {
            "id": "mp-556920",
            "created_at": "2022-09-04T14:45:57.808955Z",
            "structure_string": "Tb18 Sb10 O10\n1.0\n9.924648 0.000000 0.000000\n0.000000 9.924648 0.000000\n0.000000 0.000000 8.925535\nTb Sb O\n18 10 10\ndirect\n0.205442 0.895419 0.341895 Tb\n0.500000 0.000000 0.671644 Tb\n0.294558 0.604581 0.658105 Tb\n0.705442 0.395419 0.658105 Tb\n0.725940 0.917518 0.001460 Tb\n0.395419 0.294558 0.341895 Tb\n0.104581 0.205442 0.658105 Tb\n0.604581 0.705442 0.341895 Tb\n0.000000 0.500000 0.328356 Tb\n0.895419 0.794558 0.658105 Tb\n0.274060 0.082482 0.001460 Tb\n0.774060 0.582482 0.998540 Tb\n0.225940 0.417518 0.998540 Tb\n0.794558 0.104581 0.341895 Tb\n0.582482 0.225940 0.001460 Tb\n0.917518 0.274060 0.998540 Tb\n0.082482 0.725940 0.998540 Tb\n0.417518 0.774060 0.001460 Tb\n0.595632 0.695545 0.698367 Sb\n0.904368 0.804455 0.301633 Sb\n0.695545 0.404368 0.301633 Sb\n0.000000 0.500000 0.681998 Sb\n0.195545 0.904368 0.698367 Sb\n0.804455 0.095632 0.698367 Sb\n0.304455 0.595632 0.301633 Sb\n0.404368 0.304455 0.698367 Sb\n0.095632 0.195545 0.301633 Sb\n0.500000 0.000000 0.318002 Sb\n0.224940 0.879892 0.087058 O\n0.724940 0.379892 0.912942 O\n0.500000 0.000000 0.935639 O\n0.620108 0.724940 0.087058 O\n0.000000 0.500000 0.064361 O\n0.879892 0.775060 0.912942 O\n0.120108 0.224940 0.912942 O\n0.379892 0.275060 0.087058 O\n0.775060 0.120108 0.087058 O\n0.275060 0.620108 0.912942 O\n",
            "nsites": 38,
            "nelements": 3,
            "elements": [
                "Tb",
                "Sb",
                "O"
            ],
            "chemical_system": "O-Sb-Tb",
            "density": 8.005182118509031,
            "density_atomic": 0.04322341874576719,
            "volume": 879.1530402421323,
            "volume_molar": 13.932587784000171,
            "formula_full": "Tb18 Sb10 O10",
            "formula_reduced": "Tb9(SbO)5",
            "formula_anonymous": "A5B5C9",
            "energy": -266.35944084000005,
            "energy_per_atom": -7.009458969473686,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -257.56944084,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0016778,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:09.169000Z",
            "spacegroup": 85
        },
        {
            "id": "mp-699575",
            "created_at": "2022-09-04T14:39:05.662655Z",
            "structure_string": "Co16 Si16 O48\n1.0\n5.264575 0.000000 0.000000\n0.000000 9.044314 0.000000\n0.000000 0.000000 18.463858\nCo Si O\n16 16 48\ndirect\n0.624866 0.153328 0.376077 Co\n0.863923 0.009458 0.623057 Co\n0.636077 0.009458 0.123057 Co\n0.136077 0.490542 0.123057 Co\n0.136077 0.990542 0.376943 Co\n0.375134 0.346672 0.876077 Co\n0.375134 0.846672 0.623923 Co\n0.363923 0.990542 0.876943 Co\n0.863923 0.509458 0.876943 Co\n0.624866 0.653328 0.123923 Co\n0.875134 0.653328 0.623923 Co\n0.636077 0.509458 0.376943 Co\n0.875134 0.153328 0.876077 Co\n0.124866 0.346672 0.376077 Co\n0.363923 0.490542 0.623057 Co\n0.124866 0.846672 0.123923 Co\n0.554406 0.159827 0.727916 Si\n0.290769 0.664765 0.972569 Si\n0.709231 0.335235 0.027431 Si\n0.054406 0.840173 0.772084 Si\n0.790769 0.335235 0.527431 Si\n0.554406 0.659827 0.772084 Si\n0.945594 0.159827 0.227916 Si\n0.209231 0.164765 0.027431 Si\n0.445594 0.340173 0.227916 Si\n0.054406 0.340173 0.727916 Si\n0.790769 0.835235 0.972569 Si\n0.709231 0.835235 0.472569 Si\n0.290769 0.164765 0.527431 Si\n0.945594 0.659827 0.272084 Si\n0.445594 0.840173 0.272084 Si\n0.209231 0.664765 0.472569 Si\n0.789309 0.838564 0.061535 O\n0.042281 0.839360 0.683441 O\n0.908576 0.199334 0.052570 O\n0.042281 0.339360 0.816559 O\n0.542281 0.160640 0.816559 O\n0.710691 0.838564 0.561535 O\n0.826547 0.730782 0.802577 O\n0.091424 0.800666 0.947430 O\n0.457719 0.339360 0.316559 O\n0.591424 0.199334 0.552570 O\n0.940754 0.498601 0.310356 O\n0.691186 0.482245 0.568363 O\n0.408576 0.800666 0.447430 O\n0.289309 0.661436 0.061535 O\n0.673453 0.230782 0.197423 O\n0.173453 0.269218 0.197423 O\n0.440754 0.001399 0.310356 O\n0.308814 0.517755 0.431637 O\n0.559246 0.498601 0.810356 O\n0.673453 0.730782 0.302577 O\n0.808814 0.482245 0.068363 O\n0.940754 0.998601 0.189644 O\n0.591424 0.699334 0.947430 O\n0.908576 0.699334 0.447430 O\n0.957719 0.660640 0.183441 O\n0.710691 0.338564 0.938465 O\n0.808814 0.982245 0.431637 O\n0.059246 0.501399 0.689644 O\n0.559246 0.998601 0.689644 O\n0.173453 0.769218 0.302577 O\n0.210691 0.161436 0.938465 O\n0.542281 0.660640 0.683441 O\n0.440754 0.501399 0.189644 O\n0.408576 0.300666 0.052570 O\n0.289309 0.161436 0.438465 O\n0.826547 0.230782 0.697423 O\n0.191186 0.017755 0.568363 O\n0.059246 0.001399 0.810356 O\n0.457719 0.839360 0.183441 O\n0.326547 0.769218 0.802577 O\n0.789309 0.338564 0.438465 O\n0.326547 0.269218 0.697423 O\n0.691186 0.982245 0.931637 O\n0.191186 0.517755 0.931637 O\n0.957719 0.160640 0.316559 O\n0.091424 0.300666 0.552570 O\n0.210691 0.661436 0.561535 O\n0.308814 0.017755 0.068363 O\n",
            "nsites": 80,
            "nelements": 3,
            "elements": [
                "Co",
                "Si",
                "O"
            ],
            "chemical_system": "Co-O-Si",
            "density": 4.080334769363951,
            "density_atomic": 0.09099731680810585,
            "volume": 879.1468013139676,
            "volume_molar": 6.617932232770581,
            "formula_full": "Co16 Si16 O48",
            "formula_reduced": "CoSiO3",
            "formula_anonymous": "ABC3",
            "energy": -634.48306538,
            "energy_per_atom": -7.93103831725,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -575.29906538,
            "band_gap": 2.6041,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 48.0057909,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:45.040000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-1198802",
            "created_at": "2022-09-04T14:40:29.014569Z",
            "structure_string": "Zn4 Br8 O48\n1.0\n9.579724 0.000000 0.000000\n0.000000 9.579724 0.000000\n0.000000 0.000000 9.579724\nZn Br O\n4 8 48\ndirect\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.241392 0.758608 0.258608 Br\n0.758608 0.258608 0.241392 Br\n0.258608 0.241392 0.758608 Br\n0.741392 0.741392 0.741392 Br\n0.758608 0.241392 0.741392 Br\n0.241392 0.741392 0.758608 Br\n0.741392 0.758608 0.241392 Br\n0.258608 0.258608 0.258608 Br\n0.539467 0.697822 0.046812 O\n0.460533 0.197822 0.453188 O\n0.960533 0.302178 0.546812 O\n0.039467 0.802178 0.953188 O\n0.046812 0.539467 0.697822 O\n0.453188 0.460533 0.197822 O\n0.546812 0.960533 0.302178 O\n0.953188 0.039467 0.802178 O\n0.697822 0.046812 0.539467 O\n0.197822 0.453188 0.460533 O\n0.302178 0.546812 0.960533 O\n0.802178 0.953188 0.039467 O\n0.460533 0.302178 0.953188 O\n0.539467 0.802178 0.546812 O\n0.039467 0.697822 0.453188 O\n0.960533 0.197822 0.046812 O\n0.953188 0.460533 0.302178 O\n0.546812 0.539467 0.802178 O\n0.453188 0.039467 0.697822 O\n0.046812 0.960533 0.197822 O\n0.302178 0.953188 0.460533 O\n0.802178 0.546812 0.539467 O\n0.697822 0.453188 0.039467 O\n0.197822 0.046812 0.960533 O\n0.159012 0.682359 0.120213 O\n0.840988 0.182359 0.379787 O\n0.340988 0.317641 0.620213 O\n0.659012 0.817641 0.879787 O\n0.120213 0.159012 0.682359 O\n0.379787 0.840988 0.182359 O\n0.620213 0.340988 0.317641 O\n0.879787 0.659012 0.817641 O\n0.682359 0.120213 0.159012 O\n0.182359 0.379787 0.840988 O\n0.317641 0.620213 0.340988 O\n0.817641 0.879787 0.659012 O\n0.840988 0.317641 0.879787 O\n0.159012 0.817641 0.620213 O\n0.659012 0.682359 0.379787 O\n0.340988 0.182359 0.120213 O\n0.879787 0.840988 0.317641 O\n0.620213 0.159012 0.817641 O\n0.379787 0.659012 0.682359 O\n0.120213 0.340988 0.182359 O\n0.317641 0.879787 0.840988 O\n0.817641 0.620213 0.159012 O\n0.682359 0.379787 0.659012 O\n0.182359 0.120213 0.340988 O\n",
            "nsites": 60,
            "nelements": 3,
            "elements": [
                "Zn",
                "Br",
                "O"
            ],
            "chemical_system": "Br-O-Zn",
            "density": 3.1521334768982943,
            "density_atomic": 0.06824836628507905,
            "volume": 879.1419233300774,
            "volume_molar": 8.823860683851423,
            "formula_full": "Zn4 Br8 O48",
            "formula_reduced": "Zn(BrO6)2",
            "formula_anonymous": "AB2C12",
            "energy": -234.07096964,
            "energy_per_atom": -3.9011828273333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -201.09496964,
            "band_gap": 0.0548,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 48.0008389,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:00.416000Z",
            "spacegroup": 205
        }
    ]
}