GET /third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=156
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=formula_anonymous&page=157",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=155",
    "results": [
        {
            "id": "mp-581413",
            "created_at": "2022-09-04T14:43:13.385480Z",
            "structure_string": "Ta8 Hg8 F44\n1.0\n3.866187 11.941993 0.000000\n-3.866187 11.941993 0.000000\n0.000000 9.001731 12.041623\nTa Hg F\n8 8 44\ndirect\n0.375471 0.922873 0.483187 Ta\n0.086800 0.701522 0.628681 Ta\n0.077127 0.624529 0.016813 Ta\n0.298478 0.913200 0.871319 Ta\n0.701522 0.086800 0.128681 Ta\n0.624529 0.077127 0.516813 Ta\n0.922873 0.375471 0.983187 Ta\n0.913200 0.298478 0.371319 Ta\n0.057170 0.531658 0.373900 Hg\n0.531658 0.057170 0.873900 Hg\n0.332167 0.800769 0.214974 Hg\n0.800769 0.332167 0.714974 Hg\n0.667833 0.199231 0.785026 Hg\n0.942830 0.468342 0.626100 Hg\n0.468342 0.942830 0.126100 Hg\n0.199231 0.667833 0.285026 Hg\n0.883830 0.450249 0.404387 F\n0.206580 0.400991 0.000040 F\n0.599009 0.793420 0.499960 F\n0.399715 0.722517 0.577160 F\n0.216378 0.037459 0.606630 F\n0.549751 0.116170 0.095613 F\n0.478160 0.844013 0.354664 F\n0.793420 0.599009 0.999960 F\n0.244439 0.698686 0.486984 F\n0.277483 0.600285 0.922840 F\n0.491441 0.726225 0.791348 F\n0.844013 0.478160 0.854664 F\n0.100417 0.995746 0.853111 F\n0.891100 0.737276 0.752387 F\n0.899583 0.004254 0.146889 F\n0.783622 0.962541 0.393370 F\n0.108900 0.262724 0.247613 F\n0.037459 0.216378 0.106630 F\n0.962541 0.783622 0.893370 F\n0.755561 0.301314 0.513016 F\n0.995746 0.100417 0.353111 F\n0.004254 0.899583 0.646889 F\n0.273775 0.508559 0.708652 F\n0.123844 0.077742 0.461964 F\n0.116170 0.549751 0.595613 F\n0.077742 0.123844 0.961964 F\n0.600285 0.277483 0.422840 F\n0.508559 0.273775 0.208652 F\n0.698686 0.244439 0.986984 F\n0.521840 0.155987 0.645336 F\n0.301314 0.755561 0.013016 F\n0.450249 0.883830 0.904387 F\n0.143016 0.321727 0.889597 F\n0.726225 0.491441 0.291348 F\n0.922258 0.876156 0.038036 F\n0.262724 0.108900 0.747613 F\n0.321727 0.143016 0.389597 F\n0.155987 0.521840 0.145336 F\n0.876156 0.922258 0.538036 F\n0.737276 0.891100 0.252387 F\n0.722517 0.399715 0.077160 F\n0.400991 0.206580 0.500040 F\n0.678273 0.856984 0.610403 F\n0.856984 0.678273 0.110403 F\n",
            "nsites": 60,
            "nelements": 3,
            "elements": [
                "Ta",
                "Hg",
                "F"
            ],
            "chemical_system": "F-Hg-Ta",
            "density": 5.806663572882324,
            "density_atomic": 0.0539605739141238,
            "volume": 1111.9229401727216,
            "volume_molar": 11.160260766655314,
            "formula_full": "Ta8 Hg8 F44",
            "formula_reduced": "Ta2Hg2F11",
            "formula_anonymous": "A2B2C11",
            "energy": -367.93371979,
            "energy_per_atom": -6.132228663166667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -347.60571979,
            "band_gap": 1.2916,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0185288,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:05.282000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1178835",
            "created_at": "2022-09-04T14:44:59.523623Z",
            "structure_string": "V4 Re4 O22\n1.0\n3.428831 -7.005297 0.000000\n3.428831 7.005297 0.000000\n0.000000 0.000000 9.373556\nV Re O\n4 4 22\ndirect\n0.792548 0.207452 0.216519 V\n0.482366 0.517634 0.548537 V\n0.517634 0.482366 0.048537 V\n0.207452 0.792548 0.716519 V\n0.000971 0.999029 0.527102 Re\n0.261315 0.738685 0.133520 Re\n0.999029 0.000971 0.027102 Re\n0.738685 0.261315 0.633520 Re\n0.551685 0.448315 0.214486 O\n0.869442 0.130558 0.632089 O\n0.198211 0.283986 0.473661 O\n0.935273 0.064727 0.194069 O\n0.773085 0.226915 0.393167 O\n0.716014 0.801789 0.473661 O\n0.130558 0.869442 0.132089 O\n0.713660 0.286340 0.813190 O\n0.226915 0.773085 0.893167 O\n0.385434 0.614566 0.058336 O\n0.283986 0.198211 0.973661 O\n0.448315 0.551685 0.714486 O\n0.459402 0.981637 0.616477 O\n0.540598 0.018363 0.116477 O\n0.801789 0.716014 0.973661 O\n0.981637 0.459402 0.116477 O\n0.018363 0.540598 0.616477 O\n0.614566 0.385434 0.558336 O\n0.286340 0.713660 0.313190 O\n0.064727 0.935273 0.694069 O\n0.902199 0.097801 0.914709 O\n0.097801 0.902199 0.414709 O\n",
            "nsites": 30,
            "nelements": 3,
            "elements": [
                "V",
                "Re",
                "O"
            ],
            "chemical_system": "O-Re-V",
            "density": 4.796002812795012,
            "density_atomic": 0.06662147565300496,
            "volume": 450.30524625803383,
            "volume_molar": 9.03933859310781,
            "formula_full": "V4 Re4 O22",
            "formula_reduced": "V2Re2O11",
            "formula_anonymous": "A2B2C11",
            "energy": -256.3110781,
            "energy_per_atom": -8.543702603333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -234.3970781,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.002447,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:51.603000Z",
            "spacegroup": 36
        },
        {
            "id": "mp-556620",
            "created_at": "2022-09-04T14:42:50.434533Z",
            "structure_string": "P4 W4 O22\n1.0\n6.431661 0.000000 0.000000\n0.000000 7.793778 0.000000\n0.000000 0.000000 7.960987\nP W O\n4 4 22\ndirect\n0.500000 0.383680 0.747399 P\n0.000000 0.883680 0.752601 P\n0.000000 0.116320 0.247399 P\n0.500000 0.616320 0.252601 P\n0.500000 0.184600 0.157786 W\n0.500000 0.815400 0.842214 W\n0.000000 0.684600 0.342214 W\n0.000000 0.315400 0.657786 W\n0.309948 0.311916 0.648601 O\n0.809948 0.188084 0.148601 O\n0.309948 0.688084 0.351399 O\n0.500000 0.669908 0.070080 O\n0.500000 0.934180 0.659227 O\n0.809948 0.811916 0.851399 O\n0.690052 0.311916 0.648601 O\n0.000000 0.169908 0.429920 O\n0.000000 0.830092 0.570080 O\n0.500000 0.583228 0.732567 O\n0.690052 0.688084 0.351399 O\n0.500000 0.065820 0.340773 O\n0.190052 0.188084 0.148601 O\n0.000000 0.434180 0.840773 O\n0.500000 0.416772 0.267433 O\n0.000000 0.083228 0.767433 O\n0.000000 0.565820 0.159227 O\n0.500000 0.330092 0.929920 O\n0.000000 0.916772 0.232567 O\n0.000000 0.500000 0.500000 O\n0.190052 0.811916 0.851399 O\n0.500000 0.000000 0.000000 O\n",
            "nsites": 30,
            "nelements": 3,
            "elements": [
                "P",
                "W",
                "O"
            ],
            "chemical_system": "O-P-W",
            "density": 5.040131565671795,
            "density_atomic": 0.07517668366066196,
            "volume": 399.05990180966484,
            "volume_molar": 8.010649667898601,
            "formula_full": "P4 W4 O22",
            "formula_reduced": "P2W2O11",
            "formula_anonymous": "A2B2C11",
            "energy": -253.48810839,
            "energy_per_atom": -8.449603613,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -220.62210839,
            "band_gap": 2.7011000000000003,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 5.3e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:51.446000Z",
            "spacegroup": 58
        },
        {
            "id": "mp-636950",
            "created_at": "2022-09-04T14:42:50.662217Z",
            "structure_string": "Mo8 P8 O44\n1.0\n6.394140 0.000000 0.000000\n0.000000 10.671167 0.000000\n0.000000 0.000000 12.781041\nMo P O\n8 8 44\ndirect\n0.750000 0.511753 0.250374 Mo\n0.750000 0.781284 0.006121 Mo\n0.250000 0.488247 0.749626 Mo\n0.250000 0.011753 0.249626 Mo\n0.250000 0.281284 0.493879 Mo\n0.750000 0.988247 0.750374 Mo\n0.250000 0.218716 0.993879 Mo\n0.750000 0.718716 0.506121 Mo\n0.250000 0.689390 0.976878 P\n0.250000 0.810610 0.476878 P\n0.250000 0.504630 0.158196 P\n0.750000 0.189390 0.523122 P\n0.750000 0.495370 0.841804 P\n0.250000 0.995370 0.658196 P\n0.750000 0.310610 0.023122 P\n0.750000 0.004630 0.341804 P\n0.750000 0.130646 0.408827 O\n0.750000 0.414679 0.103196 O\n0.250000 0.914679 0.396804 O\n0.556560 0.225585 0.026754 O\n0.250000 0.365344 0.657239 O\n0.443356 0.981002 0.728503 O\n0.443440 0.725585 0.473246 O\n0.250000 0.313827 0.881641 O\n0.056560 0.725585 0.473246 O\n0.556560 0.274415 0.526754 O\n0.943356 0.018998 0.271497 O\n0.250000 0.186173 0.381641 O\n0.250000 0.391444 0.090263 O\n0.556644 0.018998 0.271497 O\n0.750000 0.570360 0.555766 O\n0.250000 0.108556 0.590263 O\n0.250000 0.617803 0.672736 O\n0.250000 0.429640 0.444234 O\n0.750000 0.865344 0.842761 O\n0.943356 0.481002 0.771497 O\n0.056560 0.774415 0.973246 O\n0.443440 0.774415 0.973246 O\n0.443356 0.518998 0.228503 O\n0.250000 0.585321 0.896804 O\n0.750000 0.608556 0.909737 O\n0.750000 0.085321 0.603196 O\n0.250000 0.134656 0.157239 O\n0.556644 0.481002 0.771497 O\n0.056644 0.981002 0.728503 O\n0.250000 0.630646 0.091173 O\n0.750000 0.634656 0.342761 O\n0.750000 0.813827 0.618359 O\n0.750000 0.891444 0.409737 O\n0.943440 0.274415 0.526754 O\n0.750000 0.382197 0.327264 O\n0.943440 0.225585 0.026754 O\n0.056644 0.518998 0.228503 O\n0.750000 0.117803 0.827264 O\n0.250000 0.882197 0.172736 O\n0.750000 0.686173 0.118359 O\n0.750000 0.929640 0.055766 O\n0.750000 0.369354 0.908827 O\n0.250000 0.869354 0.591173 O\n0.250000 0.070360 0.944234 O\n",
            "nsites": 60,
            "nelements": 3,
            "elements": [
                "Mo",
                "P",
                "O"
            ],
            "chemical_system": "Mo-O-P",
            "density": 3.273680992105272,
            "density_atomic": 0.06880040027300066,
            "volume": 872.0879495165641,
            "volume_molar": 8.753060645147539,
            "formula_full": "Mo8 P8 O44",
            "formula_reduced": "Mo2P2O11",
            "formula_anonymous": "A2B2C11",
            "energy": -482.68442037000005,
            "energy_per_atom": -8.0447403395,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -426.84042037,
            "band_gap": 2.8121,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002037,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:52.222000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-25266",
            "created_at": "2022-09-04T14:45:24.564425Z",
            "structure_string": "Mo8 P8 O44\n1.0\n12.691876 0.000000 0.000000\n0.000000 7.991577 0.000000\n0.000000 2.788790 8.268018\nMo P O\n8 8 44\ndirect\n0.750000 0.730825 0.817391 Mo\n0.250000 0.694344 0.842178 Mo\n0.498565 0.733342 0.350248 Mo\n0.001435 0.733342 0.350248 Mo\n0.998565 0.266658 0.649752 Mo\n0.501435 0.266658 0.649752 Mo\n0.750000 0.305656 0.157822 Mo\n0.250000 0.269175 0.182609 Mo\n0.992903 0.183371 0.264181 P\n0.507097 0.183371 0.264181 P\n0.750000 0.326006 0.752848 P\n0.250000 0.673994 0.247152 P\n0.492903 0.816629 0.735819 P\n0.007097 0.816629 0.735819 P\n0.250000 0.138831 0.585859 P\n0.750000 0.861169 0.414141 P\n0.471183 0.813997 0.567052 O\n0.250000 0.957742 0.717067 O\n0.750000 0.884926 0.584520 O\n0.498145 0.995559 0.248718 O\n0.001855 0.995559 0.248718 O\n0.028817 0.813997 0.567052 O\n0.750000 0.901352 0.893630 O\n0.096858 0.720992 0.854773 O\n0.250000 0.098648 0.106370 O\n0.750000 0.042258 0.282933 O\n0.250000 0.115074 0.415480 O\n0.501855 0.004441 0.751282 O\n0.998145 0.004441 0.751282 O\n0.971183 0.186003 0.432948 O\n0.528817 0.186003 0.432948 O\n0.750000 0.538581 0.012076 O\n0.596858 0.279008 0.145227 O\n0.404223 0.285612 0.195014 O\n0.095777 0.285612 0.195014 O\n0.348594 0.242610 0.604788 O\n0.151406 0.242610 0.604788 O\n0.847025 0.264686 0.670242 O\n0.652975 0.264686 0.670242 O\n0.750000 0.366428 0.327237 O\n0.750000 0.236313 0.934267 O\n0.403142 0.720992 0.854773 O\n0.250000 0.473926 0.297764 O\n0.475548 0.317014 0.820727 O\n0.024452 0.317014 0.820727 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.975548 0.682986 0.179273 O\n0.524452 0.682986 0.179273 O\n0.750000 0.526074 0.702236 O\n0.250000 0.461419 0.987924 O\n0.250000 0.763687 0.065733 O\n0.250000 0.633572 0.672763 O\n0.347025 0.735314 0.329758 O\n0.152975 0.735314 0.329758 O\n0.848594 0.757390 0.395212 O\n0.651406 0.757390 0.395212 O\n0.904223 0.714388 0.804986 O\n0.595777 0.714388 0.804986 O\n0.903142 0.279008 0.145227 O\n",
            "nsites": 60,
            "nelements": 3,
            "elements": [
                "Mo",
                "P",
                "O"
            ],
            "chemical_system": "Mo-O-P",
            "density": 3.404371296114926,
            "density_atomic": 0.0715470164672322,
            "volume": 838.609392293519,
            "volume_molar": 8.417039671749384,
            "formula_full": "Mo8 P8 O44",
            "formula_reduced": "Mo2P2O11",
            "formula_anonymous": "A2B2C11",
            "energy": -483.51093607,
            "energy_per_atom": -8.058515601166667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -427.66693607,
            "band_gap": 1.6407,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0010255,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:55.199000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-1049253",
            "created_at": "2022-09-04T14:47:23.224726Z",
            "structure_string": "Ba6 Cr6 F33\n1.0\n3.886802 -6.732138 0.000000\n3.886802 6.732138 0.000000\n0.000000 0.000000 14.275265\nBa Cr F\n6 6 33\ndirect\n0.572703 0.178722 0.662980 Ba\n0.165756 0.458789 0.806922 Ba\n0.606019 0.427297 0.996313 Ba\n0.541211 0.706968 0.473588 Ba\n0.293032 0.834244 0.140255 Ba\n0.821278 0.393981 0.329647 Ba\n0.643717 0.981313 0.885607 Cr\n0.848970 0.776404 0.725889 Cr\n0.223596 0.072566 0.392555 Cr\n0.337595 0.356283 0.218940 Cr\n0.927434 0.151030 0.059222 Cr\n0.018687 0.662405 0.552273 Cr\n0.657111 0.061757 0.022724 F\n0.527918 0.720118 0.936800 F\n0.404647 0.342889 0.356057 F\n0.103731 0.500811 0.491766 F\n0.518734 0.264874 0.183396 F\n0.944548 0.590578 0.176579 F\n0.499189 0.602921 0.158432 F\n0.409422 0.353970 0.843246 F\n0.746140 0.481266 0.516730 F\n0.204548 0.279920 0.095286 F\n0.397079 0.896269 0.825099 F\n0.938243 0.595353 0.689390 F\n0.334323 0.057525 0.009491 F\n0.994564 0.402734 0.015936 F\n0.723202 0.665677 0.342824 F\n0.279882 0.807800 0.603466 F\n0.936002 0.097820 0.924604 F\n0.075373 0.795452 0.428619 F\n0.010810 0.100191 0.405119 F\n0.942475 0.276798 0.676158 F\n0.089381 0.989190 0.738452 F\n0.597266 0.591829 0.682602 F\n0.408171 0.005436 0.349269 F\n0.161818 0.063998 0.257937 F\n0.720080 0.924627 0.761953 F\n0.735126 0.253860 0.850063 F\n0.192200 0.472082 0.270133 F\n0.833829 0.687629 0.842973 F\n0.853800 0.166171 0.176306 F\n0.899809 0.910619 0.071786 F\n0.646030 0.055452 0.509913 F\n0.902180 0.838182 0.591271 F\n0.312371 0.146200 0.509639 F\n",
            "nsites": 45,
            "nelements": 3,
            "elements": [
                "Ba",
                "Cr",
                "F"
            ],
            "chemical_system": "Ba-Cr-F",
            "density": 3.918444509274634,
            "density_atomic": 0.06023555436987257,
            "volume": 747.0670847267443,
            "volume_molar": 9.99765142530511,
            "formula_full": "Ba6 Cr6 F33",
            "formula_reduced": "Ba2Cr2F11",
            "formula_anonymous": "A2B2C11",
            "energy": -279.93830606,
            "energy_per_atom": -6.220851245777778,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -252.69830606,
            "band_gap": 0.2231,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 15.1122228,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:01.541000Z",
            "spacegroup": 145
        },
        {
            "id": "mp-1200799",
            "created_at": "2022-09-04T14:39:19.516582Z",
            "structure_string": "Ca8 P8 O44\n1.0\n7.594686 0.000000 0.000000\n0.000000 10.732560 0.000000\n0.000000 4.700057 11.491533\nCa P O\n8 8 44\ndirect\n0.495364 0.763618 0.483774 Ca\n0.995364 0.736382 0.516226 Ca\n0.504636 0.236382 0.516226 Ca\n0.004636 0.263618 0.483774 Ca\n0.638884 0.158549 0.269462 Ca\n0.138884 0.341451 0.730538 Ca\n0.361116 0.841451 0.730538 Ca\n0.861116 0.658549 0.269462 Ca\n0.520750 0.517512 0.753112 P\n0.020750 0.982488 0.246888 P\n0.479250 0.482488 0.246888 P\n0.979250 0.017512 0.753112 P\n0.745258 0.987708 0.563750 P\n0.245258 0.512292 0.436250 P\n0.254742 0.012292 0.436250 P\n0.754742 0.487708 0.563750 P\n0.749213 0.371184 0.521068 O\n0.249213 0.128816 0.478932 O\n0.250787 0.628816 0.478932 O\n0.750787 0.871184 0.521068 O\n0.738683 0.628048 0.461304 O\n0.238683 0.871952 0.538696 O\n0.261317 0.371952 0.538696 O\n0.761317 0.128048 0.461304 O\n0.482102 0.670413 0.685980 O\n0.982102 0.829587 0.314020 O\n0.517898 0.329587 0.314020 O\n0.017898 0.170413 0.685980 O\n0.650745 0.560529 0.209001 O\n0.150745 0.939471 0.790999 O\n0.349255 0.439471 0.790999 O\n0.849255 0.060529 0.209001 O\n0.583830 0.469332 0.642102 O\n0.083830 0.030668 0.357898 O\n0.416170 0.530668 0.357898 O\n0.916170 0.969332 0.642102 O\n0.575364 0.993022 0.629328 O\n0.075364 0.506978 0.370672 O\n0.424636 0.006978 0.370672 O\n0.924636 0.493022 0.629328 O\n0.668841 0.487650 0.837518 O\n0.168841 0.012350 0.162482 O\n0.331159 0.512350 0.162482 O\n0.831159 0.987650 0.837518 O\n0.542553 0.835702 0.227018 O\n0.042553 0.664298 0.772982 O\n0.457447 0.164298 0.772982 O\n0.957447 0.335702 0.227018 O\n0.520939 0.766644 0.959057 O\n0.020939 0.733356 0.040943 O\n0.479061 0.233356 0.040943 O\n0.979061 0.266644 0.959057 O\n0.594120 0.312951 0.045891 O\n0.094120 0.187049 0.954109 O\n0.405880 0.687049 0.954109 O\n0.905880 0.812951 0.045891 O\n0.568698 0.152858 0.848575 O\n0.068698 0.347142 0.151425 O\n0.431302 0.847142 0.151425 O\n0.931302 0.652858 0.848575 O\n",
            "nsites": 60,
            "nelements": 3,
            "elements": [
                "Ca",
                "P",
                "O"
            ],
            "chemical_system": "Ca-O-P",
            "density": 2.2556797558219763,
            "density_atomic": 0.0640560469726676,
            "volume": 936.6797177728075,
            "volume_molar": 9.401361845774867,
            "formula_full": "Ca8 P8 O44",
            "formula_reduced": "Ca2P2O11",
            "formula_anonymous": "A2B2C11",
            "energy": -399.53721219,
            "energy_per_atom": -6.658953536499999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -392.45321219,
            "band_gap": 0.9798,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 15.9982887,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:43.169000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1202716",
            "created_at": "2022-09-04T14:48:22.245970Z",
            "structure_string": "S8 I8 O44\n1.0\n4.742706 0.000000 0.000000\n0.000000 10.782220 0.000000\n0.000000 0.000000 18.587909\nS I O\n8 8 44\ndirect\n0.017133 0.187760 0.153310 S\n0.982867 0.687760 0.846690 S\n0.517133 0.687760 0.346690 S\n0.482867 0.187760 0.653310 S\n0.029927 0.435979 0.097504 S\n0.970073 0.935979 0.902496 S\n0.529927 0.935979 0.402496 S\n0.470073 0.435979 0.597504 S\n0.185514 0.369837 0.300940 I\n0.814486 0.869837 0.699060 I\n0.685514 0.869837 0.199060 I\n0.314486 0.369837 0.800940 I\n0.286620 0.252687 0.452353 I\n0.713380 0.752687 0.547647 I\n0.786620 0.752687 0.047647 I\n0.213380 0.252687 0.952353 I\n0.814915 0.386277 0.294804 O\n0.185085 0.886277 0.705196 O\n0.314915 0.886277 0.205196 O\n0.685085 0.386277 0.794804 O\n0.659513 0.248967 0.453730 O\n0.340487 0.748967 0.546270 O\n0.159513 0.748967 0.046270 O\n0.840487 0.248967 0.953730 O\n0.231161 0.207939 0.346328 O\n0.768839 0.707939 0.653672 O\n0.731161 0.707939 0.153672 O\n0.268839 0.207939 0.846328 O\n0.219266 0.413779 0.407354 O\n0.780734 0.913779 0.592646 O\n0.719266 0.913779 0.092646 O\n0.280734 0.413779 0.907354 O\n0.230078 0.237970 0.205557 O\n0.769922 0.737970 0.794443 O\n0.730078 0.737970 0.294443 O\n0.269922 0.237970 0.705557 O\n0.792648 0.118456 0.187099 O\n0.207352 0.618456 0.812901 O\n0.292648 0.618456 0.312901 O\n0.707352 0.118456 0.687099 O\n0.155593 0.133778 0.091772 O\n0.844407 0.633778 0.908228 O\n0.655593 0.633778 0.408228 O\n0.344407 0.133778 0.591772 O\n0.846020 0.313452 0.124336 O\n0.153980 0.813452 0.875664 O\n0.346020 0.813452 0.375664 O\n0.653980 0.313452 0.624336 O\n0.159821 0.489923 0.160177 O\n0.840179 0.989923 0.839823 O\n0.659821 0.989923 0.339823 O\n0.340179 0.489923 0.660177 O\n0.815722 0.507722 0.060560 O\n0.184278 0.007722 0.939440 O\n0.315722 0.007722 0.439440 O\n0.684278 0.507722 0.560560 O\n0.250408 0.383614 0.048013 O\n0.749592 0.883614 0.951987 O\n0.750408 0.883614 0.451987 O\n0.249592 0.383614 0.548013 O\n",
            "nsites": 60,
            "nelements": 3,
            "elements": [
                "S",
                "I",
                "O"
            ],
            "chemical_system": "I-O-S",
            "density": 3.451529748964074,
            "density_atomic": 0.06312280947054057,
            "volume": 950.5280342124508,
            "volume_molar": 9.540356030589125,
            "formula_full": "S8 I8 O44",
            "formula_reduced": "S2I2O11",
            "formula_anonymous": "A2B2C11",
            "energy": -337.24080203,
            "energy_per_atom": -5.620680033833334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -307.01280203,
            "band_gap": 2.6141,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0013068,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:54.242000Z",
            "spacegroup": 33
        },
        {
            "id": "mp-1182734",
            "created_at": "2022-09-04T14:40:17.526683Z",
            "structure_string": "Li16 Re16 O88\n1.0\n12.403232 0.000000 0.032861\n0.000000 14.086968 0.000000\n0.127307 0.000000 12.813269\nLi Re O\n16 16 88\ndirect\n0.272045 0.139809 0.870107 Li\n0.727955 0.639809 0.629893 Li\n0.727955 0.860191 0.129893 Li\n0.272045 0.360191 0.370107 Li\n0.511079 0.864920 0.112613 Li\n0.488921 0.364920 0.387387 Li\n0.488921 0.135080 0.887387 Li\n0.511079 0.635080 0.612613 Li\n0.989602 0.141902 0.371238 Li\n0.010398 0.641902 0.128762 Li\n0.010398 0.858098 0.628762 Li\n0.989602 0.358098 0.871238 Li\n0.228569 0.863534 0.621710 Li\n0.771431 0.363534 0.878290 Li\n0.771431 0.136466 0.378290 Li\n0.228569 0.636466 0.121710 Li\n0.089269 0.917182 0.384207 Re\n0.910731 0.417182 0.115793 Re\n0.910731 0.082818 0.615793 Re\n0.089269 0.582818 0.884207 Re\n0.347243 0.071539 0.115606 Re\n0.652757 0.571539 0.384394 Re\n0.652757 0.928461 0.884394 Re\n0.347243 0.428461 0.615606 Re\n0.158262 0.917081 0.863850 Re\n0.841738 0.417081 0.636150 Re\n0.841738 0.082919 0.136150 Re\n0.158262 0.582919 0.363850 Re\n0.401725 0.072333 0.639307 Re\n0.598275 0.572333 0.860693 Re\n0.598275 0.927667 0.360693 Re\n0.401725 0.427667 0.139307 Re\n0.099064 0.041775 0.380966 O\n0.900936 0.541775 0.119034 O\n0.900936 0.958225 0.619034 O\n0.099064 0.458225 0.880966 O\n0.177341 0.866591 0.293787 O\n0.822659 0.366591 0.206213 O\n0.822659 0.133409 0.706213 O\n0.177341 0.633409 0.793787 O\n0.119396 0.876289 0.513464 O\n0.880604 0.376289 0.986536 O\n0.880604 0.123711 0.486536 O\n0.119396 0.623711 0.013464 O\n0.958196 0.885978 0.354327 O\n0.041804 0.385978 0.145673 O\n0.041804 0.114022 0.645673 O\n0.958196 0.614022 0.854327 O\n0.392595 0.953252 0.111678 O\n0.607405 0.453252 0.388322 O\n0.607405 0.046748 0.888322 O\n0.392595 0.546748 0.611678 O\n0.210994 0.075415 0.146457 O\n0.789006 0.575415 0.353542 O\n0.789006 0.924585 0.853542 O\n0.210994 0.424585 0.646458 O\n0.369604 0.123773 0.989757 O\n0.630396 0.623773 0.510243 O\n0.630396 0.876227 0.010243 O\n0.369604 0.376227 0.489757 O\n0.419682 0.133146 0.209190 O\n0.580318 0.633146 0.290810 O\n0.580318 0.866854 0.790810 O\n0.419682 0.366854 0.709190 O\n0.159632 0.041974 0.866325 O\n0.840368 0.541974 0.633675 O\n0.840368 0.958026 0.133675 O\n0.159632 0.458026 0.366325 O\n0.119015 0.876261 0.737390 O\n0.880985 0.376261 0.762610 O\n0.880985 0.123739 0.262610 O\n0.119015 0.623739 0.237390 O\n0.287628 0.877662 0.888824 O\n0.712372 0.377662 0.611176 O\n0.712372 0.122338 0.111176 O\n0.287628 0.622338 0.388824 O\n0.070514 0.873446 0.959438 O\n0.929486 0.373446 0.540562 O\n0.929486 0.126554 0.040562 O\n0.070514 0.626554 0.459438 O\n0.337053 0.961193 0.637331 O\n0.662947 0.461193 0.862669 O\n0.662947 0.038807 0.362669 O\n0.337053 0.538807 0.137331 O\n0.536523 0.061060 0.604495 O\n0.463477 0.561060 0.895505 O\n0.463477 0.938940 0.395505 O\n0.536523 0.438940 0.104495 O\n0.391227 0.120797 0.768341 O\n0.608773 0.620797 0.731659 O\n0.608773 0.879203 0.231659 O\n0.391227 0.379203 0.268341 O\n0.338616 0.148197 0.552377 O\n0.661384 0.648197 0.947623 O\n0.661384 0.851803 0.447623 O\n0.338616 0.351803 0.052377 O\n0.377469 0.280807 0.874971 O\n0.622531 0.780807 0.625029 O\n0.622531 0.719193 0.125029 O\n0.377469 0.219193 0.374971 O\n0.118594 0.729751 0.614445 O\n0.881406 0.229751 0.885555 O\n0.881406 0.270249 0.385555 O\n0.118594 0.770249 0.114445 O\n0.369195 0.753873 0.656923 O\n0.630805 0.253873 0.843077 O\n0.630805 0.246127 0.343077 O\n0.369195 0.746127 0.156923 O\n0.121323 0.247379 0.908594 O\n0.878677 0.747379 0.591406 O\n0.878677 0.752621 0.091406 O\n0.121323 0.252621 0.408594 O\n0.145206 0.253903 0.814625 O\n0.854794 0.753903 0.685375 O\n0.854794 0.746097 0.185375 O\n0.145206 0.246097 0.314625 O\n0.389937 0.762190 0.562569 O\n0.610063 0.262190 0.937431 O\n0.610063 0.237810 0.437431 O\n0.389937 0.737810 0.062569 O\n",
            "nsites": 120,
            "nelements": 3,
            "elements": [
                "Li",
                "Re",
                "O"
            ],
            "chemical_system": "Li-O-Re",
            "density": 3.3365533553391136,
            "density_atomic": 0.053601919134647256,
            "volume": 2238.7258131292224,
            "volume_molar": 11.234934974758028,
            "formula_full": "Li16 Re16 O88",
            "formula_reduced": "Li2Re2O11",
            "formula_anonymous": "A2B2C11",
            "energy": -826.00703667,
            "energy_per_atom": -6.88339197225,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -811.83903667,
            "band_gap": 0.8424,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 15.9999967,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:02.547000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1044589",
            "created_at": "2022-09-04T14:40:42.074438Z",
            "structure_string": "Ba6 Bi6 F33\n1.0\n3.943583 -6.830486 0.000000\n3.943583 6.830486 0.000000\n0.000000 0.000000 15.397321\nBa Bi F\n6 6 33\ndirect\n0.852958 0.823493 0.651404 Ba\n0.468345 0.076988 0.815711 Ba\n0.970535 0.147042 0.984737 Ba\n0.923012 0.391357 0.482377 Ba\n0.608643 0.531655 0.149044 Ba\n0.176507 0.029465 0.318070 Ba\n0.861642 0.637155 0.895581 Bi\n0.180627 0.469358 0.728852 Bi\n0.530642 0.711268 0.395518 Bi\n0.775513 0.138358 0.228915 Bi\n0.288732 0.819373 0.062185 Bi\n0.362845 0.224487 0.562248 Bi\n0.983248 0.738809 0.043327 F\n0.775450 0.338120 0.937839 F\n0.755561 0.016752 0.376661 F\n0.512479 0.143924 0.466716 F\n0.896176 0.938390 0.187388 F\n0.276132 0.264373 0.192587 F\n0.856076 0.368555 0.133383 F\n0.735627 0.011759 0.859254 F\n0.042213 0.103824 0.520721 F\n0.608843 0.974205 0.086535 F\n0.631445 0.487521 0.800050 F\n0.261191 0.244439 0.709994 F\n0.659324 0.669567 0.979142 F\n0.338851 0.101052 0.013733 F\n0.010243 0.340676 0.312476 F\n0.661880 0.437330 0.604505 F\n0.242380 0.754846 0.921905 F\n0.365362 0.391157 0.419868 F\n0.262975 0.723996 0.403009 F\n0.330433 0.989757 0.645809 F\n0.461021 0.737025 0.736343 F\n0.898948 0.237799 0.680400 F\n0.762201 0.661149 0.347067 F\n0.512466 0.757620 0.255239 F\n0.025795 0.634638 0.753202 F\n0.061610 0.957787 0.854055 F\n0.562670 0.224550 0.271172 F\n0.176150 0.390360 0.862336 F\n0.214209 0.823850 0.195669 F\n0.276004 0.538979 0.069676 F\n0.988241 0.723868 0.525921 F\n0.245154 0.487534 0.588572 F\n0.609640 0.785791 0.529003 F\n",
            "nsites": 45,
            "nelements": 3,
            "elements": [
                "Ba",
                "Bi",
                "F"
            ],
            "chemical_system": "Ba-Bi-F",
            "density": 5.414584958904741,
            "density_atomic": 0.05424937796676751,
            "volume": 829.5025986761809,
            "volume_molar": 11.100847577808336,
            "formula_full": "Ba6 Bi6 F33",
            "formula_reduced": "Ba2Bi2F11",
            "formula_anonymous": "A2B2C11",
            "energy": -238.70999016000005,
            "energy_per_atom": -5.304666448000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -223.46399016,
            "band_gap": 0.1393,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 3.0007923,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:09.745000Z",
            "spacegroup": 145
        },
        {
            "id": "mp-27236",
            "created_at": "2022-09-04T14:40:34.004627Z",
            "structure_string": "Sb2 I2 F11\n1.0\n4.292864 6.762245 0.000000\n-4.292864 6.762245 0.000000\n0.000000 1.216798 5.449239\nSb I F\n2 2 11\ndirect\n0.348161 0.357305 0.453402 Sb\n0.642695 0.651839 0.546598 Sb\n0.064313 0.074261 0.131390 I\n0.925739 0.935687 0.868610 I\n0.201535 0.571899 0.255850 F\n0.428101 0.798465 0.744150 F\n0.529121 0.278436 0.179832 F\n0.721564 0.470879 0.820168 F\n0.481029 0.518971 0.500000 F\n0.791037 0.777377 0.588845 F\n0.222623 0.208963 0.411155 F\n0.550245 0.816887 0.263998 F\n0.183113 0.449755 0.736002 F\n0.834000 0.487276 0.339309 F\n0.512724 0.166000 0.660691 F\n",
            "nsites": 15,
            "nelements": 3,
            "elements": [
                "Sb",
                "I",
                "F"
            ],
            "chemical_system": "F-I-Sb",
            "density": 3.7071607196843512,
            "density_atomic": 0.04741190174505303,
            "volume": 316.3762567605739,
            "volume_molar": 12.701749008893849,
            "formula_full": "Sb2 I2 F11",
            "formula_reduced": "Sb2I2F11",
            "formula_anonymous": "A2B2C11",
            "energy": -66.27180383,
            "energy_per_atom": -4.418120255333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -61.18980383,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.0325743,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:04.175000Z",
            "spacegroup": 5
        },
        {
            "id": "mp-677178",
            "created_at": "2022-09-04T14:41:08.762387Z",
            "structure_string": "Ta4 W4 O22\n1.0\n3.656629 6.368353 0.000000\n-3.656629 6.368353 0.000000\n0.000000 5.569505 12.773905\nTa W O\n4 4 22\ndirect\n0.006969 0.473389 0.540435 Ta\n0.691912 0.778922 0.228418 Ta\n0.526611 0.993031 0.459565 Ta\n0.221078 0.308088 0.771582 Ta\n0.006744 0.993256 0.000000 W\n0.502163 0.009098 0.987071 W\n0.990902 0.497837 0.012929 W\n0.519557 0.480443 0.500000 W\n0.282385 0.909144 0.024193 O\n0.619374 0.585123 0.349639 O\n0.910690 0.276198 0.028540 O\n0.789926 0.399500 0.528578 O\n0.884456 0.532180 0.151107 O\n0.228879 0.210496 0.491011 O\n0.113859 0.093118 0.854404 O\n0.596011 0.983001 0.318754 O\n0.275858 0.281981 0.023847 O\n0.494028 0.913339 0.146031 O\n0.600500 0.210074 0.471422 O\n0.425374 0.770496 0.516323 O\n0.467820 0.115544 0.848893 O\n0.718019 0.724142 0.976153 O\n0.789504 0.771121 0.508989 O\n0.906882 0.886141 0.145596 O\n0.086661 0.505972 0.853969 O\n0.229504 0.574626 0.483677 O\n0.016999 0.403989 0.681246 O\n0.090856 0.717615 0.975807 O\n0.414877 0.380626 0.650361 O\n0.723802 0.089310 0.971460 O\n",
            "nsites": 30,
            "nelements": 3,
            "elements": [
                "Ta",
                "W",
                "O"
            ],
            "chemical_system": "O-Ta-W",
            "density": 5.0552077895168575,
            "density_atomic": 0.0504265840226485,
            "volume": 594.9242960127115,
            "volume_molar": 11.942392840441517,
            "formula_full": "Ta4 W4 O22",
            "formula_reduced": "Ta2W2O11",
            "formula_anonymous": "A2B2C11",
            "energy": -287.89244877,
            "energy_per_atom": -9.596414958999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -255.02644877,
            "band_gap": 3.2779,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003581,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:12.728000Z",
            "spacegroup": 5
        }
    ]
}