GET /third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=12161
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 146323,
    "next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=12162",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=12160",
    "results": [
        {
            "id": "mp-1095894",
            "created_at": "2022-09-04T14:48:11.043950Z",
            "structure_string": "Hf1 Cd1 Pd2\n1.0\n-5.060790 5.415934 7.976378\n5.060790 -5.415934 7.976378\n5.060790 5.415934 -7.976378\nHf Cd Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Cd\n0.000000 0.270559 0.270559 Pd\n0.000000 0.729441 0.729441 Pd\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Hf",
                "Cd",
                "Pd"
            ],
            "chemical_system": "Cd-Hf-Pd",
            "density": 0.9565308896307608,
            "density_atomic": 0.004574067753575844,
            "volume": 874.4951355110429,
            "volume_molar": 131.65831999956936,
            "formula_full": "Hf1 Cd1 Pd2",
            "formula_reduced": "HfCdPd2",
            "formula_anonymous": "ABC2",
            "energy": -14.71278472,
            "energy_per_atom": -3.67819618,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -14.71278472,
            "band_gap": 0.1621000000000001,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:27.176000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-1196789",
            "created_at": "2022-09-04T14:48:11.087353Z",
            "structure_string": "Pr32 Mo42 O112\n1.0\n0.114446 0.000000 -13.753163\n0.000000 -13.781439 0.000000\n-13.565554 0.000000 2.545591\nPr Mo O\n32 42 112\ndirect\n0.229176 0.620012 0.630590 Pr\n0.270824 0.120012 0.369410 Pr\n0.770824 0.379988 0.369410 Pr\n0.729176 0.879988 0.630590 Pr\n0.227843 0.802278 0.867360 Pr\n0.272157 0.302278 0.132640 Pr\n0.772157 0.197722 0.132640 Pr\n0.727843 0.697722 0.867360 Pr\n0.430901 0.812113 0.683925 Pr\n0.069099 0.312113 0.316075 Pr\n0.569099 0.187887 0.316075 Pr\n0.930901 0.687887 0.683925 Pr\n0.453436 0.612489 0.893771 Pr\n0.046564 0.112489 0.106229 Pr\n0.546564 0.387511 0.106229 Pr\n0.953436 0.887511 0.893771 Pr\n0.854974 0.664985 0.350845 Pr\n0.645026 0.164985 0.649155 Pr\n0.145026 0.335015 0.649155 Pr\n0.354974 0.835015 0.350845 Pr\n0.372422 0.586589 0.148859 Pr\n0.127578 0.086589 0.851141 Pr\n0.627578 0.413411 0.851141 Pr\n0.872422 0.913411 0.148859 Pr\n0.363357 0.330678 0.873027 Pr\n0.136643 0.830678 0.126973 Pr\n0.636643 0.669322 0.126973 Pr\n0.863357 0.169322 0.873027 Pr\n0.140318 0.627695 0.309029 Pr\n0.359682 0.127695 0.690971 Pr\n0.859682 0.372305 0.690971 Pr\n0.640318 0.872305 0.309029 Pr\n0.270671 0.419662 0.473206 Mo\n0.229329 0.919662 0.526794 Mo\n0.729329 0.580338 0.526794 Mo\n0.770671 0.080338 0.473206 Mo\n0.426494 0.276374 0.519624 Mo\n0.073506 0.776374 0.480376 Mo\n0.573506 0.723626 0.480376 Mo\n0.926494 0.223626 0.519624 Mo\n0.430730 0.439343 0.652520 Mo\n0.069270 0.939343 0.347480 Mo\n0.569270 0.560657 0.347480 Mo\n0.930730 0.060657 0.652520 Mo\n0.415645 0.402397 0.348037 Mo\n0.084355 0.902397 0.651963 Mo\n0.584355 0.597603 0.651963 Mo\n0.915645 0.097603 0.348037 Mo\n0.416151 0.573089 0.478837 Mo\n0.083849 0.073089 0.521163 Mo\n0.583849 0.426911 0.521163 Mo\n0.916151 0.926911 0.478837 Mo\n0.227658 0.496808 0.954790 Mo\n0.272342 0.996808 0.045210 Mo\n0.772342 0.503192 0.045210 Mo\n0.727658 0.003192 0.954790 Mo\n0.078471 0.509489 0.791316 Mo\n0.421529 0.009489 0.208684 Mo\n0.921529 0.490511 0.208684 Mo\n0.578471 0.990511 0.791316 Mo\n0.065412 0.346003 0.925619 Mo\n0.434588 0.846003 0.074381 Mo\n0.934588 0.653997 0.074381 Mo\n0.565412 0.153997 0.925619 Mo\n0.081870 0.644820 0.952078 Mo\n0.418130 0.144820 0.047922 Mo\n0.918130 0.355180 0.047922 Mo\n0.581870 0.855180 0.952078 Mo\n0.920584 0.510619 0.909052 Mo\n0.579416 0.010619 0.090948 Mo\n0.079416 0.489381 0.090948 Mo\n0.420584 0.989381 0.909052 Mo\n0.000000 0.500000 0.500000 Mo\n0.500000 -0.000000 0.500000 Mo\n0.268298 0.397836 0.329220 O\n0.231702 0.897836 0.670780 O\n0.731702 0.602164 0.670780 O\n0.768298 0.102164 0.329220 O\n0.276890 0.440268 0.620534 O\n0.223110 0.940268 0.379466 O\n0.723110 0.559732 0.379466 O\n0.776890 0.059732 0.620534 O\n0.260801 0.568421 0.459311 O\n0.239199 0.068421 0.540689 O\n0.739199 0.431579 0.540689 O\n0.760801 0.931579 0.459311 O\n0.274491 0.268452 0.484969 O\n0.225509 0.768452 0.515031 O\n0.725509 0.731548 0.515031 O\n0.774491 0.231548 0.484969 O\n0.112403 0.414098 0.462220 O\n0.387597 0.914098 0.537780 O\n0.887597 0.585902 0.537780 O\n0.612403 0.085902 0.462220 O\n0.417548 0.253410 0.369130 O\n0.082452 0.753410 0.630870 O\n0.582452 0.746590 0.630870 O\n0.917548 0.246590 0.369130 O\n0.429127 0.286333 0.665083 O\n0.070873 0.786333 0.334917 O\n0.570873 0.713667 0.334917 O\n0.929127 0.213667 0.665083 O\n0.573620 0.278372 0.529982 O\n0.926380 0.778372 0.470018 O\n0.426380 0.721628 0.470018 O\n0.073620 0.221628 0.529982 O\n0.441174 0.124266 0.547716 O\n0.058826 0.624266 0.452284 O\n0.558826 0.875734 0.452284 O\n0.941174 0.375734 0.547716 O\n0.426100 0.597431 0.634070 O\n0.073900 0.097431 0.365930 O\n0.573900 0.402569 0.365930 O\n0.926100 0.902569 0.634070 O\n0.591316 0.446633 0.675159 O\n0.908684 0.946633 0.324841 O\n0.408684 0.553367 0.324841 O\n0.091316 0.053367 0.675159 O\n0.454328 0.452931 0.804647 O\n0.045672 0.952931 0.195353 O\n0.545672 0.547069 0.195353 O\n0.954328 0.047069 0.804647 O\n0.415361 0.393486 0.203398 O\n0.084639 0.893486 0.796602 O\n0.584639 0.606514 0.796602 O\n0.915361 0.106514 0.203398 O\n0.237027 0.641499 0.971851 O\n0.262973 0.141499 0.028149 O\n0.762973 0.358501 0.028149 O\n0.737027 0.858501 0.971851 O\n0.218211 0.345204 0.955345 O\n0.281789 0.845204 0.044655 O\n0.781789 0.654796 0.044655 O\n0.718211 0.154796 0.955345 O\n0.232314 0.478573 0.105713 O\n0.267686 0.978573 0.894287 O\n0.767686 0.521427 0.894287 O\n0.732314 0.021427 0.105713 O\n0.236245 0.485653 0.813894 O\n0.263755 0.985653 0.186106 O\n0.763755 0.514347 0.186106 O\n0.736245 0.014347 0.813894 O\n0.386634 0.495268 0.992703 O\n0.113366 0.995268 0.007297 O\n0.613366 0.504732 0.007297 O\n0.886634 0.004732 0.992703 O\n0.083550 0.661967 0.805555 O\n0.416450 0.161967 0.194445 O\n0.916450 0.338033 0.194445 O\n0.583550 0.838033 0.805555 O\n0.052572 0.359080 0.774706 O\n0.447428 0.859080 0.225294 O\n0.947428 0.640920 0.225294 O\n0.552572 0.140920 0.774706 O\n0.921225 0.527061 0.756313 O\n0.578775 0.027061 0.243687 O\n0.078775 0.472939 0.243687 O\n0.421225 0.972939 0.756313 O\n0.089695 0.517725 0.641101 O\n0.410305 0.017725 0.358899 O\n0.910305 0.482275 0.358899 O\n0.589695 0.982275 0.641101 O\n0.076495 0.334388 0.082082 O\n0.423505 0.834388 0.917918 O\n0.923505 0.665612 0.917918 O\n0.576495 0.165612 0.082082 O\n0.906119 0.352693 0.889512 O\n0.593881 0.852693 0.110488 O\n0.093881 0.647307 0.110488 O\n0.406119 0.147307 0.889512 O\n0.046673 0.196995 0.930913 O\n0.453327 0.696995 0.069087 O\n0.953327 0.803005 0.069087 O\n0.546673 0.303005 0.930913 O\n0.095653 0.791049 0.959403 O\n0.404347 0.291049 0.040597 O\n0.904347 0.208951 0.040597 O\n0.595653 0.708951 0.959403 O\n0.747838 0.269769 0.750550 O\n0.752162 0.769769 0.249450 O\n0.252162 0.730231 0.249450 O\n0.247838 0.230231 0.750550 O\n0.826805 0.792174 0.761286 O\n0.673195 0.292174 0.238714 O\n0.173195 0.207826 0.238714 O\n0.326805 0.707826 0.761286 O\n",
            "nsites": 186,
            "nelements": 3,
            "elements": [
                "Pr",
                "Mo",
                "O"
            ],
            "chemical_system": "Mo-O-Pr",
            "density": 6.682095175646507,
            "density_atomic": 0.07245309538278498,
            "volume": 2567.178103534746,
            "volume_molar": 8.311778438428007,
            "formula_full": "Pr32 Mo42 O112",
            "formula_reduced": "Pr16(Mo3O8)7",
            "formula_anonymous": "A16B21C56",
            "energy": -1631.79083585,
            "energy_per_atom": -8.773069009946235,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1420.36283585,
            "band_gap": 0.8094000000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 19.9999995,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:28.673000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1006591",
            "created_at": "2022-09-04T14:48:11.113901Z",
            "structure_string": "Mg4 In8 Se16\n1.0\n-7.169650 0.000000 0.000000\n-0.056117 -8.298997 0.000000\n1.221737 2.133826 13.471173\nMg In Se\n4 8 16\ndirect\n0.247955 0.374537 0.001058 Mg\n0.133057 0.199272 0.298019 Mg\n0.752045 0.625463 0.998942 Mg\n0.866943 0.800728 0.701981 Mg\n0.241807 0.875883 0.000300 In\n0.138025 0.699544 0.297269 In\n0.630566 0.445686 0.297032 In\n0.758193 0.124117 0.999700 In\n0.861975 0.300456 0.702731 In\n0.630234 0.953088 0.298850 In\n0.369766 0.046912 0.701150 In\n0.369434 0.554314 0.702968 In\n0.185807 0.279827 0.618625 Se\n0.103702 0.154710 0.106613 Se\n0.183639 0.780257 0.619831 Se\n0.099320 0.647821 0.104528 Se\n0.896298 0.845290 0.893387 Se\n0.688308 0.531884 0.619940 Se\n0.814193 0.720173 0.381375 Se\n0.599803 0.403550 0.103426 Se\n0.900680 0.352179 0.895472 Se\n0.689066 0.027956 0.619669 Se\n0.816361 0.219743 0.380169 Se\n0.601148 0.897803 0.104722 Se\n0.398852 0.102197 0.895278 Se\n0.310934 0.972044 0.380331 Se\n0.400197 0.596450 0.896574 Se\n0.311692 0.468116 0.380060 Se\n",
            "nsites": 28,
            "nelements": 3,
            "elements": [
                "Mg",
                "In",
                "Se"
            ],
            "chemical_system": "In-Mg-Se",
            "density": 4.7215878602033605,
            "density_atomic": 0.03493245071400175,
            "volume": 801.546969299149,
            "volume_molar": 17.239388124538834,
            "formula_full": "Mg4 In8 Se16",
            "formula_reduced": "Mg(InSe2)2",
            "formula_anonymous": "AB2C4",
            "energy": -112.60413919000004,
            "energy_per_atom": -4.021576399642859,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -105.05213919,
            "band_gap": 0.7980999999999998,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0029044,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:31.901000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-557632",
            "created_at": "2022-09-04T14:48:11.118603Z",
            "structure_string": "K4 Li2 B2 O6\n1.0\n3.082751 4.428444 0.000000\n-3.082751 4.428444 0.000000\n0.000000 1.607911 7.264109\nK Li B O\n4 2 2 6\ndirect\n0.159434 0.493524 0.675060 K\n0.835369 0.164631 0.500000 K\n0.002347 0.997653 0.000000 K\n0.506476 0.840566 0.324940 K\n0.730789 0.541096 0.031705 Li\n0.458904 0.269211 0.968295 Li\n0.509600 0.786216 0.783450 B\n0.213784 0.490400 0.216550 B\n0.628426 0.506752 0.787197 O\n0.493248 0.371574 0.212803 O\n0.324433 0.936997 0.666192 O\n0.095127 0.422142 0.086530 O\n0.577858 0.904873 0.913470 O\n0.063003 0.675567 0.333808 O\n",
            "nsites": 14,
            "nelements": 4,
            "elements": [
                "K",
                "Li",
                "B",
                "O"
            ],
            "chemical_system": "B-K-Li-O",
            "density": 2.4103447034901753,
            "density_atomic": 0.07058722085303853,
            "volume": 198.33618367193938,
            "volume_molar": 8.531488684811661,
            "formula_full": "K4 Li2 B2 O6",
            "formula_reduced": "K2LiBO3",
            "formula_anonymous": "ABC2D3",
            "energy": -84.19209079,
            "energy_per_atom": -6.0137207707142855,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -80.07009079,
            "band_gap": 3.5239000000000003,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002755,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:38.535000Z",
            "spacegroup": 5
        },
        {
            "id": "mp-865573",
            "created_at": "2022-09-04T14:48:11.144473Z",
            "structure_string": "Li2 Er1 Tl1\n1.0\n0.000000 3.412292 3.412292\n3.412292 0.000000 3.412292\n3.412292 3.412292 0.000000\nLi Er Tl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Tl\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Li",
                "Er",
                "Tl"
            ],
            "chemical_system": "Er-Li-Tl",
            "density": 8.056238137352963,
            "density_atomic": 0.050337475563523006,
            "volume": 79.4636591370624,
            "volume_molar": 11.963533515701247,
            "formula_full": "Li2 Er1 Tl1",
            "formula_reduced": "Li2ErTl",
            "formula_anonymous": "ABC2",
            "energy": -11.59281824,
            "energy_per_atom": -2.89820456,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -11.59281824,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 6.85e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:25.562000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-540549",
            "created_at": "2022-09-04T14:48:10.925320Z",
            "structure_string": "Al6 P18 O54\n1.0\n9.483424 6.531220 0.000000\n-9.483424 6.531220 0.000000\n0.000000 5.597149 7.514155\nAl P O\n6 18 54\ndirect\n0.419342 0.594995 0.485792 Al\n0.594995 0.419342 0.985792 Al\n0.085609 0.924944 0.489516 Al\n0.924944 0.085609 0.989516 Al\n0.741961 0.232755 0.519162 Al\n0.232755 0.741961 0.019162 Al\n0.618998 0.674976 0.651597 P\n0.674976 0.618998 0.151597 P\n0.267096 0.995427 0.679117 P\n0.995427 0.267096 0.179117 P\n0.932821 0.326100 0.685281 P\n0.326100 0.932821 0.185281 P\n0.843045 0.905973 0.807771 P\n0.905973 0.843045 0.307771 P\n0.494297 0.220670 0.831952 P\n0.220670 0.494297 0.331952 P\n0.162964 0.560430 0.832505 P\n0.560430 0.162964 0.332505 P\n0.583490 0.881451 0.774649 P\n0.881451 0.583490 0.274649 P\n0.284169 0.252849 0.719637 P\n0.252849 0.284169 0.219637 P\n0.938001 0.573711 0.736571 P\n0.573711 0.938001 0.236571 P\n0.806890 0.233035 0.679184 O\n0.233035 0.806890 0.179184 O\n0.514732 0.588478 0.613552 O\n0.588478 0.514732 0.113552 O\n0.141432 0.921456 0.659853 O\n0.921456 0.141432 0.159853 O\n0.077017 0.370921 0.521091 O\n0.370921 0.077017 0.021091 O\n0.764196 0.809205 0.466941 O\n0.809205 0.764196 0.966941 O\n0.412465 0.037447 0.517785 O\n0.037447 0.412465 0.017785 O\n0.934150 0.258701 0.852315 O\n0.258701 0.934150 0.352315 O\n0.652629 0.593823 0.777431 O\n0.593823 0.652629 0.277431 O\n0.259286 0.916282 0.849203 O\n0.916282 0.259286 0.349203 O\n0.132712 0.180895 0.870571 O\n0.180895 0.132712 0.370571 O\n0.792691 0.481857 0.907379 O\n0.481857 0.792691 0.407379 O\n0.437608 0.828824 0.922116 O\n0.828824 0.437608 0.422116 O\n0.348497 0.398177 0.561508 O\n0.398177 0.348497 0.061508 O\n0.977438 0.718128 0.600917 O\n0.718128 0.977438 0.100917 O\n0.664633 0.029445 0.612167 O\n0.029445 0.664633 0.112167 O\n0.246618 0.534386 0.698629 O\n0.534386 0.246618 0.198629 O\n0.913126 0.912663 0.635553 O\n0.912663 0.913126 0.135553 O\n0.560366 0.186475 0.696697 O\n0.186475 0.560366 0.196697 O\n0.248427 0.671979 0.863232 O\n0.671979 0.248427 0.363232 O\n0.928174 0.034828 0.815524 O\n0.034828 0.928174 0.315524 O\n0.597810 0.327132 0.853059 O\n0.327132 0.597810 0.353059 O\n0.153597 0.298045 0.138447 O\n0.298045 0.153597 0.638447 O\n0.762217 0.558374 0.219451 O\n0.558374 0.762217 0.719451 O\n0.482448 0.953516 0.141454 O\n0.953516 0.482448 0.641454 O\n0.273754 0.392549 0.291848 O\n0.392549 0.273754 0.791848 O\n0.870637 0.680836 0.361675 O\n0.680836 0.870637 0.861675 O\n0.609217 0.063898 0.279069 O\n0.063898 0.609217 0.779069 O\n",
            "nsites": 78,
            "nelements": 3,
            "elements": [
                "Al",
                "P",
                "O"
            ],
            "chemical_system": "Al-O-P",
            "density": 2.8246580082790103,
            "density_atomic": 0.08379632580080387,
            "volume": 930.8284015389579,
            "volume_molar": 7.186640586504366,
            "formula_full": "Al6 P18 O54",
            "formula_reduced": "Al(PO3)3",
            "formula_anonymous": "AB3C9",
            "energy": -607.1302393999999,
            "energy_per_atom": -7.783721017948717,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -570.0322394,
            "band_gap": 5.625,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.002983,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:26.746000Z",
            "spacegroup": 9
        },
        {
            "id": "mp-1197996",
            "created_at": "2022-09-04T14:48:10.929935Z",
            "structure_string": "Sr10 Sb44 O76\n1.0\n12.216680 0.000000 0.000000\n0.000000 11.920117 0.000000\n0.000000 11.509583 16.630185\nSr Sb O\n10 44 76\ndirect\n0.681448 0.168614 0.666799 Sr\n0.818552 0.168614 0.166799 Sr\n0.318552 0.831386 0.333201 Sr\n0.181448 0.831386 0.833201 Sr\n0.349089 0.148264 0.669361 Sr\n0.150911 0.148264 0.169361 Sr\n0.650911 0.851736 0.330639 Sr\n0.849089 0.851736 0.830639 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.360731 0.464197 0.678917 Sb\n0.139269 0.464197 0.178917 Sb\n0.639269 0.535803 0.321083 Sb\n0.860731 0.535803 0.821083 Sb\n0.660299 0.490901 0.663666 Sb\n0.839701 0.490901 0.163666 Sb\n0.339701 0.509099 0.336334 Sb\n0.160299 0.509099 0.836334 Sb\n0.149698 0.145483 0.830257 Sb\n0.350302 0.145483 0.330257 Sb\n0.850302 0.854517 0.169743 Sb\n0.649698 0.854517 0.669743 Sb\n0.680586 0.850595 0.997374 Sb\n0.819414 0.850595 0.497374 Sb\n0.319414 0.149405 0.002626 Sb\n0.180586 0.149405 0.502626 Sb\n0.466250 0.491048 0.845024 Sb\n0.033750 0.491048 0.345024 Sb\n0.533750 0.508952 0.154976 Sb\n0.966250 0.508952 0.654976 Sb\n0.831026 0.179823 0.502826 Sb\n0.668974 0.179823 0.002826 Sb\n0.168974 0.820177 0.497174 Sb\n0.331026 0.820177 0.997174 Sb\n0.008315 0.835301 0.987588 Sb\n0.491685 0.835301 0.487588 Sb\n0.991685 0.164699 0.012412 Sb\n0.508315 0.164699 0.512412 Sb\n0.509114 0.185374 0.817416 Sb\n0.990886 0.185374 0.317416 Sb\n0.490886 0.814626 0.182584 Sb\n0.009114 0.814626 0.682584 Sb\n0.869903 0.198779 0.807063 Sb\n0.630097 0.198779 0.307063 Sb\n0.130097 0.801221 0.192937 Sb\n0.369903 0.801221 0.692937 Sb\n0.034040 0.144294 0.655660 Sb\n0.465960 0.144294 0.155660 Sb\n0.965960 0.855706 0.344340 Sb\n0.534040 0.855706 0.844340 Sb\n0.802591 0.507574 0.494832 Sb\n0.697409 0.507574 0.994832 Sb\n0.197409 0.492426 0.505168 Sb\n0.302591 0.492426 0.005168 Sb\n0.018810 0.940093 0.723108 O\n0.481190 0.940093 0.223108 O\n0.981190 0.059907 0.276892 O\n0.518810 0.059907 0.776892 O\n0.683005 0.461367 0.574756 O\n0.816995 0.461367 0.074756 O\n0.316995 0.538633 0.425244 O\n0.183005 0.538633 0.925244 O\n0.017350 0.292916 0.763834 O\n0.482650 0.292916 0.263834 O\n0.982650 0.707084 0.236166 O\n0.517350 0.707084 0.736166 O\n0.155510 0.100958 0.748994 O\n0.344490 0.100958 0.248994 O\n0.844490 0.899042 0.251006 O\n0.655510 0.899042 0.751006 O\n0.851014 0.105737 0.753983 O\n0.648986 0.105737 0.253983 O\n0.148986 0.894263 0.246017 O\n0.351014 0.894263 0.746017 O\n0.629515 0.286712 0.738174 O\n0.870485 0.286712 0.238174 O\n0.370485 0.713288 0.261826 O\n0.129515 0.713288 0.761826 O\n0.496380 0.528048 0.614964 O\n0.003620 0.528048 0.114964 O\n0.503620 0.471952 0.385036 O\n0.996380 0.471952 0.885036 O\n0.330867 0.605206 0.799576 O\n0.169133 0.605206 0.299576 O\n0.669133 0.394794 0.200424 O\n0.830867 0.394794 0.700424 O\n0.014234 0.760561 0.923369 O\n0.485766 0.760561 0.423369 O\n0.985766 0.239439 0.076631 O\n0.514234 0.239439 0.576631 O\n0.380810 0.260456 0.742317 O\n0.119190 0.260456 0.242317 O\n0.619190 0.739544 0.257683 O\n0.880810 0.739544 0.757683 O\n0.471962 0.419477 0.777608 O\n0.028038 0.419477 0.277608 O\n0.528038 0.580523 0.222392 O\n0.971962 0.580523 0.722392 O\n0.974659 0.127052 0.555719 O\n0.525341 0.127052 0.055719 O\n0.025341 0.872948 0.444281 O\n0.474659 0.872948 0.944281 O\n0.692565 0.582050 0.408416 O\n0.807435 0.582050 0.908416 O\n0.307435 0.417950 0.591584 O\n0.192565 0.417950 0.091584 O\n0.676857 0.850393 0.898892 O\n0.823143 0.850393 0.398892 O\n0.323143 0.149607 0.101108 O\n0.176857 0.149607 0.601108 O\n0.010718 0.036968 0.889214 O\n0.489282 0.036968 0.389214 O\n0.989282 0.963032 0.110786 O\n0.510718 0.963032 0.610786 O\n0.793463 0.313460 0.530296 O\n0.706537 0.313460 0.030296 O\n0.206537 0.686540 0.469704 O\n0.293463 0.686540 0.969704 O\n0.653426 0.655038 0.077110 O\n0.846574 0.655038 0.577110 O\n0.346574 0.344962 0.922890 O\n0.153426 0.344962 0.422890 O\n0.733601 0.052397 0.592449 O\n0.766399 0.052397 0.092449 O\n0.266399 0.947603 0.407551 O\n0.233601 0.947603 0.907551 O\n0.844652 0.829355 0.993285 O\n0.655348 0.829355 0.493285 O\n0.155348 0.170645 0.006715 O\n0.344652 0.170645 0.506715 O\n",
            "nsites": 130,
            "nelements": 3,
            "elements": [
                "Sr",
                "Sb",
                "O"
            ],
            "chemical_system": "O-Sb-Sr",
            "density": 5.108000468019755,
            "density_atomic": 0.05368000596186631,
            "volume": 2421.758300331609,
            "volume_molar": 11.218591824073311,
            "formula_full": "Sr10 Sb44 O76",
            "formula_reduced": "Sr5(Sb11O19)2",
            "formula_anonymous": "A5B22C38",
            "energy": -840.39117945,
            "energy_per_atom": -6.464547534230769,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -788.17917945,
            "band_gap": 2.6046,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0011093,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:24.925000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-653981",
            "created_at": "2022-09-04T14:48:10.933224Z",
            "structure_string": "Zr6 Ni1 Cl15\n1.0\n-5.170378 5.170378 5.170378\n5.170378 -5.170378 5.170378\n5.170378 5.170378 -5.170378\nZr Ni Cl\n6 1 15\ndirect\n0.757479 0.000000 0.757479 Zr\n0.000000 0.757479 0.757479 Zr\n0.242521 0.000000 0.242521 Zr\n0.000000 0.242521 0.242521 Zr\n0.242521 0.242521 0.000000 Zr\n0.757479 0.757479 0.000000 Zr\n0.000000 0.000000 0.000000 Ni\n0.503949 0.751974 0.751974 Cl\n0.248026 0.496051 0.248026 Cl\n0.000000 0.751974 0.248026 Cl\n0.248026 0.000000 0.751974 Cl\n0.751974 0.000000 0.248026 Cl\n0.751974 0.503949 0.751974 Cl\n0.248026 0.751974 0.000000 Cl\n0.751974 0.248026 0.000000 Cl\n0.000000 0.248026 0.751974 Cl\n0.500000 0.500000 0.000000 Cl\n0.751974 0.751974 0.503949 Cl\n0.500000 0.000000 0.500000 Cl\n0.248026 0.248026 0.496051 Cl\n0.496051 0.248026 0.248026 Cl\n0.000000 0.500000 0.500000 Cl\n",
            "nsites": 22,
            "nelements": 3,
            "elements": [
                "Zr",
                "Ni",
                "Cl"
            ],
            "chemical_system": "Cl-Ni-Zr",
            "density": 3.4174370018619897,
            "density_atomic": 0.03979200335274883,
            "volume": 552.8749031551396,
            "volume_molar": 15.134047679416447,
            "formula_full": "Zr6 Ni1 Cl15",
            "formula_reduced": "Zr6NiCl15",
            "formula_anonymous": "AB6C15",
            "energy": -130.08715301,
            "energy_per_atom": -5.913052409545455,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -120.87715301,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.9690586,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:23.432000Z",
            "spacegroup": 229
        },
        {
            "id": "mp-758415",
            "created_at": "2022-09-04T14:48:10.936340Z",
            "structure_string": "Li4 Cu4 P4 O16\n1.0\n4.798147 0.000000 0.000000\n0.000000 6.172980 0.000000\n0.000000 0.000000 10.307212\nLi Cu P O\n4 4 4 16\ndirect\n0.464661 0.750000 0.218220 Li\n0.964661 0.250000 0.281780 Li\n0.035339 0.750000 0.718220 Li\n0.535339 0.250000 0.781780 Li\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.393736 0.250000 0.095840 P\n0.893736 0.750000 0.404160 P\n0.106264 0.250000 0.595840 P\n0.606264 0.750000 0.904160 P\n0.735506 0.750000 0.048023 O\n0.711286 0.250000 0.100437 O\n0.260739 0.042015 0.155095 O\n0.260739 0.457985 0.155095 O\n0.760739 0.542015 0.344905 O\n0.760739 0.957985 0.344905 O\n0.211286 0.750000 0.399563 O\n0.235506 0.250000 0.451977 O\n0.764494 0.750000 0.548023 O\n0.788714 0.250000 0.600437 O\n0.239261 0.042015 0.655095 O\n0.239261 0.457985 0.655095 O\n0.739261 0.542015 0.844905 O\n0.739261 0.957985 0.844905 O\n0.288714 0.750000 0.899563 O\n0.264494 0.250000 0.951977 O\n",
            "nsites": 28,
            "nelements": 4,
            "elements": [
                "Li",
                "Cu",
                "P",
                "O"
            ],
            "chemical_system": "Cu-Li-O-P",
            "density": 3.599881305174658,
            "density_atomic": 0.09171669644948058,
            "volume": 305.28792557877364,
            "volume_molar": 6.566024500584926,
            "formula_full": "Li4 Cu4 P4 O16",
            "formula_reduced": "LiCuPO4",
            "formula_anonymous": "ABCD4",
            "energy": -185.66019136,
            "energy_per_atom": -6.63072112,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -174.66819136,
            "band_gap": 0.5083000000000002,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9995278,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:28.622000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-27192",
            "created_at": "2022-09-04T14:48:10.939796Z",
            "structure_string": "Cs4 Be8 F20\n1.0\n8.060841 0.000000 0.000000\n0.000000 8.060841 0.000000\n0.000000 0.000000 8.060841\nCs Be F\n4 8 20\ndirect\n0.875000 0.125000 0.625000 Cs\n0.125000 0.625000 0.875000 Cs\n0.625000 0.875000 0.125000 Cs\n0.375000 0.375000 0.375000 Cs\n0.099726 0.099726 0.099726 Be\n0.650274 0.650274 0.650274 Be\n0.900274 0.599726 0.400274 Be\n0.599726 0.400274 0.900274 Be\n0.400274 0.900274 0.599726 Be\n0.349726 0.150274 0.849726 Be\n0.849726 0.349726 0.150274 Be\n0.150274 0.849726 0.349726 Be\n0.625000 0.466696 0.716696 F\n0.783304 0.375000 0.966696 F\n0.716696 0.625000 0.466696 F\n0.533304 0.216696 0.875000 F\n0.992561 0.992561 0.992561 F\n0.242561 0.257439 0.742561 F\n0.742561 0.242561 0.257439 F\n0.257439 0.742561 0.242561 F\n0.507439 0.007439 0.492561 F\n0.492561 0.507439 0.007439 F\n0.007439 0.492561 0.507439 F\n0.757439 0.757439 0.757439 F\n0.125000 0.033304 0.283304 F\n0.375000 0.966696 0.783304 F\n0.875000 0.533304 0.216696 F\n0.033304 0.283304 0.125000 F\n0.966696 0.783304 0.375000 F\n0.216696 0.875000 0.533304 F\n0.283304 0.125000 0.033304 F\n0.466696 0.716696 0.625000 F\n",
            "nsites": 32,
            "nelements": 3,
            "elements": [
                "Cs",
                "Be",
                "F"
            ],
            "chemical_system": "Be-Cs-F",
            "density": 3.1186390293082678,
            "density_atomic": 0.06109545647253103,
            "volume": 523.7705362654494,
            "volume_molar": 9.856937172910067,
            "formula_full": "Cs4 Be8 F20",
            "formula_reduced": "CsBe2F5",
            "formula_anonymous": "AB2C5",
            "energy": -182.87627596,
            "energy_per_atom": -5.71488362375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -173.63627596,
            "band_gap": 7.374,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0033187,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:39.278000Z",
            "spacegroup": 213
        },
        {
            "id": "mp-558853",
            "created_at": "2022-09-04T14:48:10.945285Z",
            "structure_string": "As4 C12 N12 F32\n1.0\n5.168400 6.631607 0.000000\n-5.168400 6.631607 0.000000\n0.000000 5.939297 12.553719\nAs C N F\n4 12 12 32\ndirect\n0.189962 0.735317 0.443301 As\n0.264683 0.810038 0.056699 As\n0.735317 0.189962 0.943301 As\n0.810038 0.264683 0.556699 As\n0.205760 0.198355 0.528347 C\n0.149887 0.277444 0.369086 C\n0.414998 0.210187 0.379667 C\n0.794240 0.801645 0.471653 C\n0.585002 0.789813 0.620333 C\n0.210187 0.414998 0.879667 C\n0.801645 0.794240 0.971653 C\n0.722556 0.850113 0.130914 C\n0.850113 0.722556 0.630914 C\n0.277444 0.149887 0.869086 C\n0.789813 0.585002 0.120333 C\n0.198355 0.205760 0.028347 C\n0.753214 0.916404 0.024027 N\n0.687443 0.740638 0.682976 N\n0.312557 0.259362 0.317024 N\n0.259362 0.312557 0.817024 N\n0.916404 0.753214 0.524027 N\n0.628497 0.821990 0.515344 N\n0.178010 0.371503 0.984656 N\n0.246786 0.083596 0.975973 N\n0.371503 0.178010 0.484656 N\n0.740638 0.687443 0.182976 N\n0.821990 0.628497 0.015344 N\n0.083596 0.246786 0.475973 N\n0.136757 0.932818 0.355394 F\n0.460084 0.788938 0.958686 F\n0.189120 0.580601 0.831524 F\n0.810880 0.419399 0.168476 F\n0.152597 0.167013 0.632240 F\n0.625638 0.149835 0.868086 F\n0.580601 0.189120 0.331524 F\n0.149835 0.625638 0.368086 F\n0.154548 0.800577 0.971819 F\n0.067182 0.863243 0.144606 F\n0.832987 0.847403 0.867760 F\n0.863243 0.067182 0.644606 F\n0.847403 0.832987 0.367760 F\n0.374362 0.850165 0.131914 F\n0.850165 0.374362 0.631914 F\n0.845452 0.199423 0.028181 F\n0.932818 0.136757 0.855394 F\n0.167013 0.152597 0.132240 F\n0.800577 0.154548 0.471819 F\n0.199423 0.845452 0.528181 F\n0.419399 0.810880 0.668476 F\n0.721927 0.407586 0.878876 F\n0.211062 0.539916 0.541314 F\n0.040115 0.328733 0.312609 F\n0.407586 0.721927 0.378876 F\n0.671267 0.959885 0.187391 F\n0.592414 0.278073 0.621124 F\n0.788938 0.460084 0.458686 F\n0.328733 0.040115 0.812609 F\n0.959885 0.671267 0.687391 F\n0.539916 0.211062 0.041314 F\n0.278073 0.592414 0.121124 F\n",
            "nsites": 60,
            "nelements": 4,
            "elements": [
                "As",
                "C",
                "N",
                "F"
            ],
            "chemical_system": "As-C-F-N",
            "density": 2.3538356180866664,
            "density_atomic": 0.06972266076474394,
            "volume": 860.5523561765687,
            "volume_molar": 8.637279033741587,
            "formula_full": "As4 C12 N12 F32",
            "formula_reduced": "AsC3N3F8",
            "formula_anonymous": "AB3C3D8",
            "energy": -381.17121134,
            "energy_per_atom": -6.352853522333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -362.05521134,
            "band_gap": 3.9572,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000195,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:26.485000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-763504",
            "created_at": "2022-09-04T14:48:10.947086Z",
            "structure_string": "Li3 Mn8 O4 F12\n1.0\n0.003306 -3.253543 5.276680\n2.054312 -2.806733 -5.368923\n8.543518 5.873602 -0.016149\nLi Mn O F\n3 8 4 12\ndirect\n0.999853 0.999877 0.999955 Li\n0.612777 0.804248 0.421340 Li\n0.387102 0.195539 0.578736 Li\n0.986697 0.248823 0.724211 Mn\n0.499953 0.500027 0.999808 Mn\n0.999871 0.500045 0.999724 Mn\n0.014799 0.753439 0.276733 Mn\n0.503442 0.258434 0.247969 Mn\n0.002700 0.258480 0.247890 Mn\n0.496024 0.741207 0.751736 Mn\n0.997051 0.741305 0.751849 Mn\n0.235152 0.359206 0.112566 O\n0.764585 0.640601 0.887301 O\n0.773095 0.415451 0.131716 O\n0.228510 0.586156 0.869173 O\n0.736848 0.115266 0.357589 F\n0.263037 0.884666 0.642322 F\n0.250340 0.124996 0.376173 F\n0.749491 0.875017 0.623807 F\n0.233218 0.891726 0.134384 F\n0.790762 0.890227 0.133561 F\n0.766122 0.107931 0.865557 F\n0.208971 0.108521 0.866370 F\n0.731197 0.610278 0.370587 F\n0.250521 0.611139 0.370369 F\n0.268748 0.388719 0.629183 F\n0.749135 0.388674 0.629392 F\n",
            "nsites": 27,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "O",
                "F"
            ],
            "chemical_system": "F-Li-Mn-O",
            "density": 3.680321892744276,
            "density_atomic": 0.07954375022036533,
            "volume": 339.4358441134609,
            "volume_molar": 7.570853452743256,
            "formula_full": "Li3 Mn8 O4 F12",
            "formula_reduced": "Li3Mn8(OF3)4",
            "formula_anonymous": "A3B4C8D12",
            "energy": -193.96005305,
            "energy_per_atom": -7.1837056685185186,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -172.32405305,
            "band_gap": 2.5293,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 28.9998674,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:23.564000Z",
            "spacegroup": 12
        }
    ]
}