GET /third-parties/MatprojStructure/?format=api&ordering=-energy&page=11511
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&page=11512",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=11510",
    "results": [
        {
            "id": "mp-759437",
            "created_at": "2022-09-04T14:39:33.399883Z",
            "structure_string": "Li8 Fe8 P12 O48\n1.0\n8.719053 0.000000 0.000000\n-0.044344 8.805744 0.000000\n-0.019548 -0.006684 12.214479\nLi Fe P O\n8 8 12 48\ndirect\n0.220687 0.272691 0.819952 Li\n0.291983 0.770508 0.684016 Li\n0.287060 0.728618 0.316373 Li\n0.691153 0.234900 0.312875 Li\n0.786707 0.725640 0.182251 Li\n0.784736 0.774256 0.818332 Li\n0.960567 0.088775 0.279451 Li\n0.920630 0.412470 0.703156 Li\n0.261144 0.047722 0.381410 Fe\n0.255702 0.456239 0.612576 Fe\n0.246277 0.536705 0.115685 Fe\n0.249965 0.954166 0.888967 Fe\n0.743163 0.040955 0.107746 Fe\n0.743089 0.453861 0.887279 Fe\n0.750761 0.545232 0.387883 Fe\n0.748827 0.963173 0.616556 Fe\n0.044807 0.751115 0.501820 P\n0.106131 0.893894 0.147700 P\n0.104572 0.601797 0.853023 P\n0.393804 0.397505 0.353062 P\n0.393441 0.104390 0.646640 P\n0.457817 0.247855 0.001004 P\n0.539792 0.748420 0.000770 P\n0.610949 0.896638 0.353816 P\n0.611162 0.603998 0.648796 P\n0.898340 0.108499 0.852821 P\n0.893616 0.393913 0.147591 P\n0.956991 0.249683 0.497028 P\n0.049440 0.357501 0.572578 O\n0.056140 0.151084 0.420063 O\n0.069424 0.404855 0.156376 O\n0.075355 0.096979 0.842437 O\n0.154447 0.561976 0.969171 O\n0.155040 0.931748 0.030975 O\n0.152803 0.661487 0.579518 O\n0.150069 0.843461 0.424000 O\n0.161423 0.733482 0.180202 O\n0.166999 0.760116 0.819362 O\n0.166177 0.013182 0.231258 O\n0.161944 0.477752 0.770841 O\n0.321676 0.516719 0.275349 O\n0.325643 0.982869 0.726053 O\n0.336131 0.263683 0.680652 O\n0.352575 0.232854 0.322767 O\n0.360619 0.351680 0.074342 O\n0.346063 0.158255 0.926235 O\n0.341878 0.435330 0.469903 O\n0.341445 0.066595 0.529900 O\n0.433822 0.594923 0.661234 O\n0.433750 0.900749 0.339952 O\n0.439146 0.646362 0.073497 O\n0.444035 0.855188 0.929422 O\n0.554351 0.347021 0.922921 O\n0.554826 0.145319 0.074177 O\n0.570958 0.411225 0.343133 O\n0.569250 0.094889 0.657360 O\n0.655338 0.931060 0.472527 O\n0.657746 0.572206 0.529993 O\n0.650206 0.836912 0.078356 O\n0.644582 0.654894 0.923727 O\n0.662938 0.767355 0.681532 O\n0.668429 0.737572 0.319253 O\n0.687626 0.018863 0.278650 O\n0.692346 0.488003 0.724174 O\n0.823971 0.514382 0.226179 O\n0.825750 0.987708 0.775459 O\n0.842788 0.231157 0.185073 O\n0.855829 0.273454 0.821384 O\n0.844345 0.336318 0.421115 O\n0.858546 0.151046 0.574045 O\n0.836283 0.426280 0.031653 O\n0.844053 0.071642 0.969317 O\n0.926523 0.600567 0.841457 O\n0.927452 0.902516 0.159699 O\n0.945856 0.644465 0.430886 O\n0.942862 0.852696 0.573289 O\n",
            "nsites": 76,
            "nelements": 4,
            "elements": [
                "Li",
                "Fe",
                "P",
                "O"
            ],
            "chemical_system": "Fe-Li-O-P",
            "density": 2.9073492764689983,
            "density_atomic": 0.08104071648391739,
            "volume": 937.8001984358353,
            "volume_molar": 7.431006315442807,
            "formula_full": "Li8 Fe8 P12 O48",
            "formula_reduced": "Li2Fe2(PO4)3",
            "formula_anonymous": "A2B2C3D12",
            "energy": -567.18858976,
            "energy_per_atom": -7.46300776,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -516.16458976,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 43.9900774,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:35.872000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-997523",
            "created_at": "2022-09-04T14:41:00.167414Z",
            "structure_string": "K5 W15 O45\n1.0\n3.882686 0.000000 0.000000\n0.006583 7.527269 0.000000\n0.027133 3.750350 32.566070\nK W O\n5 15 45\ndirect\n0.889364 0.202804 0.100490 K\n0.907440 0.595410 0.299109 K\n0.904670 0.994018 0.500857 K\n0.900433 0.394119 0.700560 K\n0.090428 0.803391 0.900640 K\n0.491350 0.703138 0.099858 W\n0.498721 0.400070 0.199961 W\n0.499177 0.099586 0.299717 W\n0.499466 0.899355 0.199933 W\n0.503428 0.301614 0.399752 W\n0.499993 0.801826 0.400300 W\n0.501961 0.500593 0.500178 W\n0.499226 0.199679 0.599824 W\n0.503779 0.698231 0.600240 W\n0.502970 0.898772 0.699959 W\n0.496822 0.098629 0.800516 W\n0.503796 0.598875 0.800027 W\n0.505542 0.299878 0.900029 W\n0.500396 0.500903 0.999878 W\n0.496901 0.001696 0.999932 W\n0.498775 0.240442 0.016547 O\n0.497807 0.537622 0.058046 O\n0.495920 0.905378 0.058685 O\n0.995512 0.699653 0.099822 O\n0.497440 0.495528 0.141759 O\n0.501437 0.155504 0.183869 O\n0.998962 0.402374 0.199128 O\n0.496973 0.864135 0.141271 O\n0.498507 0.644961 0.216654 O\n0.498811 0.308251 0.257287 O\n0.000284 0.103238 0.300541 O\n0.999619 0.898680 0.199851 O\n0.501050 0.938585 0.258851 O\n0.500180 0.267983 0.342021 O\n0.503094 0.044726 0.415705 O\n0.003236 0.301658 0.399508 O\n0.501705 0.893589 0.342763 O\n0.503677 0.559163 0.384598 O\n0.001973 0.802246 0.400181 O\n0.505655 0.335473 0.457490 O\n0.503296 0.709718 0.457713 O\n0.003089 0.497998 0.499259 O\n0.500726 0.292154 0.542744 O\n0.000415 0.198058 0.600538 O\n0.503902 0.661873 0.541262 O\n0.500057 0.106688 0.658422 O\n0.504669 0.443645 0.616609 O\n0.003817 0.699217 0.599968 O\n0.502285 0.954166 0.584303 O\n0.504327 0.063204 0.742236 O\n0.506069 0.736659 0.658926 O\n0.999018 0.098373 0.800165 O\n0.003964 0.903342 0.699863 O\n0.502203 0.357390 0.784160 O\n0.505775 0.696073 0.741366 O\n0.002974 0.599562 0.799959 O\n0.498875 0.133425 0.857699 O\n0.504057 0.504338 0.858467 O\n0.497232 0.840571 0.815997 O\n0.003507 0.299660 0.900233 O\n0.499797 0.094976 0.941312 O\n0.503597 0.465237 0.942594 O\n0.000157 0.500634 0.000058 O\n0.498960 0.761569 0.984261 O\n0.997854 0.001495 0.000165 O\n",
            "nsites": 65,
            "nelements": 3,
            "elements": [
                "K",
                "W",
                "O"
            ],
            "chemical_system": "K-O-W",
            "density": 6.408296444977795,
            "density_atomic": 0.06829333136927003,
            "volume": 951.7766771185519,
            "volume_molar": 8.818050956450755,
            "formula_full": "K5 W15 O45",
            "formula_reduced": "K(WO3)3",
            "formula_anonymous": "AB3C9",
            "energy": -567.19545054,
            "energy_per_atom": -8.726083854461539,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -469.71045054,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.6237443,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:09.882000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1178164",
            "created_at": "2022-09-04T14:43:40.590070Z",
            "structure_string": "K5 W15 O45\n1.0\n3.880867 0.000000 0.000000\n0.000000 7.523169 0.000000\n0.000000 3.745281 32.543956\nK W O\n5 15 45\ndirect\n0.110491 0.404543 0.699975 K\n0.092524 0.796931 0.898604 K\n0.092524 0.203069 0.101396 K\n0.110491 0.595457 0.300025 K\n0.909586 0.000000 0.500000 K\n0.508100 0.903802 0.699351 W\n0.501716 0.601844 0.799535 W\n0.500843 0.301932 0.899466 W\n0.500933 0.101406 0.799545 W\n0.497075 0.500000 0.000000 W\n0.499804 0.000000 0.000000 W\n0.500843 0.698068 0.100534 W\n0.501716 0.398156 0.200465 W\n0.500933 0.898594 0.200455 W\n0.508100 0.096198 0.300649 W\n0.502382 0.300331 0.399949 W\n0.496729 0.800629 0.399442 W\n0.494996 0.500000 0.500000 W\n0.502382 0.699669 0.600051 W\n0.496729 0.199371 0.600558 W\n0.500759 0.442614 0.616003 O\n0.501665 0.738782 0.657518 O\n0.503596 0.107548 0.657924 O\n0.004767 0.900935 0.699372 O\n0.502229 0.696708 0.741327 O\n0.498827 0.357851 0.783358 O\n0.001257 0.603654 0.798656 O\n0.502551 0.065821 0.741070 O\n0.500893 0.845772 0.816049 O\n0.500808 0.509621 0.856880 O\n0.000085 0.304635 0.900054 O\n0.000624 0.100588 0.799422 O\n0.499015 0.139554 0.857988 O\n0.498959 0.468973 0.941249 O\n0.496782 0.245671 0.015293 O\n0.996874 0.500000 0.000000 O\n0.498134 0.095784 0.942010 O\n0.496782 0.754329 0.984707 O\n0.998233 0.000000 0.000000 O\n0.498959 0.531027 0.058751 O\n0.498134 0.904216 0.057990 O\n0.000085 0.695365 0.099946 O\n0.500808 0.490379 0.143120 O\n0.001257 0.396346 0.201344 O\n0.499015 0.860446 0.142012 O\n0.502229 0.303292 0.258673 O\n0.498827 0.642149 0.216642 O\n0.000624 0.899412 0.200578 O\n0.500893 0.154228 0.183951 O\n0.501665 0.261218 0.342482 O\n0.502551 0.934179 0.258930 O\n0.000773 0.300037 0.399563 O\n0.004767 0.099065 0.300628 O\n0.500759 0.557386 0.383997 O\n0.503596 0.892452 0.342076 O\n0.997214 0.800904 0.399448 O\n0.500570 0.335574 0.457330 O\n0.496557 0.706284 0.457860 O\n0.502082 0.041530 0.415531 O\n0.996716 0.500000 0.500000 O\n0.496557 0.293716 0.542140 O\n0.500570 0.664426 0.542670 O\n0.000773 0.699963 0.600437 O\n0.502082 0.958470 0.584469 O\n0.997214 0.199096 0.600552 O\n",
            "nsites": 65,
            "nelements": 3,
            "elements": [
                "K",
                "W",
                "O"
            ],
            "chemical_system": "K-O-W",
            "density": 6.419153053776487,
            "density_atomic": 0.06840903044602181,
            "volume": 950.166952757623,
            "volume_molar": 8.8031371307795,
            "formula_full": "K5 W15 O45",
            "formula_reduced": "K(WO3)3",
            "formula_anonymous": "AB3C9",
            "energy": -567.21835556,
            "energy_per_atom": -8.726436239384615,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -469.73335556,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.8943577,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:13.834000Z",
            "spacegroup": 3
        },
        {
            "id": "mp-1198402",
            "created_at": "2022-09-04T14:40:24.351226Z",
            "structure_string": "Th8 Fe56 B4\n1.0\n8.762631 0.000000 0.000000\n0.000000 8.762631 0.000000\n0.000000 0.000000 12.061489\nTh Fe B\n8 56 4\ndirect\n0.228644 0.771356 0.500000 Th\n0.771356 0.228644 0.500000 Th\n0.271356 0.271356 0.000000 Th\n0.728644 0.728644 0.000000 Th\n0.646362 0.646362 0.500000 Th\n0.353638 0.353638 0.500000 Th\n0.853638 0.146362 0.000000 Th\n0.146362 0.853638 0.000000 Th\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.115772 Fe\n0.000000 0.000000 0.615772 Fe\n0.500000 0.500000 0.884228 Fe\n0.000000 0.000000 0.384228 Fe\n0.181960 0.818040 0.253665 Fe\n0.818040 0.181960 0.253665 Fe\n0.318040 0.318040 0.753665 Fe\n0.681960 0.681960 0.753665 Fe\n0.818040 0.181960 0.746335 Fe\n0.181960 0.818040 0.746335 Fe\n0.681960 0.681960 0.246335 Fe\n0.318040 0.318040 0.246335 Fe\n0.402595 0.597405 0.298119 Fe\n0.597405 0.402595 0.298119 Fe\n0.097405 0.097405 0.798119 Fe\n0.902595 0.902595 0.798119 Fe\n0.597405 0.402595 0.701881 Fe\n0.402595 0.597405 0.701881 Fe\n0.902595 0.902595 0.201881 Fe\n0.097405 0.097405 0.201881 Fe\n0.140250 0.537521 0.324785 Fe\n0.859750 0.462479 0.324785 Fe\n0.359750 0.037521 0.824785 Fe\n0.640250 0.962479 0.824785 Fe\n0.859750 0.462479 0.675215 Fe\n0.140250 0.537521 0.675215 Fe\n0.640250 0.962479 0.175215 Fe\n0.359750 0.037521 0.175215 Fe\n0.537521 0.140250 0.324785 Fe\n0.462479 0.859750 0.324785 Fe\n0.037521 0.359750 0.824785 Fe\n0.962479 0.640250 0.824785 Fe\n0.462479 0.859750 0.675215 Fe\n0.537521 0.140250 0.675215 Fe\n0.962479 0.640250 0.175215 Fe\n0.037521 0.359750 0.175215 Fe\n0.933533 0.724066 0.372398 Fe\n0.066467 0.275934 0.372398 Fe\n0.566467 0.224066 0.872398 Fe\n0.433533 0.775934 0.872398 Fe\n0.066467 0.275934 0.627602 Fe\n0.933533 0.724066 0.627602 Fe\n0.433533 0.775934 0.127602 Fe\n0.566467 0.224066 0.127602 Fe\n0.724066 0.933533 0.372398 Fe\n0.275934 0.066467 0.372398 Fe\n0.224066 0.566467 0.872398 Fe\n0.775934 0.433533 0.872398 Fe\n0.275934 0.066467 0.627602 Fe\n0.724066 0.933533 0.627602 Fe\n0.775934 0.433533 0.127602 Fe\n0.224066 0.566467 0.127602 Fe\n0.877304 0.877304 0.500000 B\n0.122696 0.122696 0.500000 B\n0.622696 0.377304 0.000000 B\n0.377304 0.622696 0.000000 B\n",
            "nsites": 68,
            "nelements": 3,
            "elements": [
                "Th",
                "Fe",
                "B"
            ],
            "chemical_system": "B-Fe-Th",
            "density": 9.013151016792788,
            "density_atomic": 0.07342415214820605,
            "volume": 926.1257775608026,
            "volume_molar": 8.201852638140592,
            "formula_full": "Th8 Fe56 B4",
            "formula_reduced": "Th2Fe14B",
            "formula_anonymous": "AB2C14",
            "energy": -567.22396118,
            "energy_per_atom": -8.341528840882352,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -567.22396118,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 119.0022944,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:54.166000Z",
            "spacegroup": 136
        },
        {
            "id": "mp-1224320",
            "created_at": "2022-09-04T14:46:41.673906Z",
            "structure_string": "K3 Na9 Sr4 B20 O40\n1.0\n7.488083 0.000000 0.000000\n-3.208236 9.347754 0.000000\n-0.218917 -0.583966 13.687261\nK Na Sr B O\n3 9 4 20 40\ndirect\n0.893613 0.437299 0.874634 K\n0.106287 0.562320 0.125332 K\n0.605846 0.562299 0.624743 K\n0.039348 0.888942 0.242371 Na\n0.539529 0.888571 0.742476 Na\n0.460622 0.112454 0.257615 Na\n0.960483 0.111382 0.757481 Na\n0.342339 0.837119 0.500724 Na\n0.842177 0.837460 0.000416 Na\n0.157891 0.162586 0.999639 Na\n0.657049 0.162877 0.499549 Na\n0.401641 0.450058 0.375415 Na\n0.937517 0.217688 0.282107 Sr\n0.435859 0.216611 0.781692 Sr\n0.563984 0.782026 0.218756 Sr\n0.064224 0.783251 0.718268 Sr\n0.307142 0.867050 0.075508 B\n0.807386 0.866879 0.575167 B\n0.196128 0.135380 0.423873 B\n0.692834 0.132727 0.924617 B\n0.801434 0.458479 0.376971 B\n0.307422 0.458695 0.877741 B\n0.692576 0.541193 0.122455 B\n0.192976 0.541633 0.622102 B\n0.876538 0.720679 0.430306 B\n0.377446 0.721067 0.931108 B\n0.622454 0.278903 0.068944 B\n0.124344 0.280320 0.568140 B\n0.131413 0.629398 0.357661 B\n0.631622 0.634564 0.855832 B\n0.368756 0.365361 0.145107 B\n0.868834 0.365264 0.643875 B\n0.722858 0.915572 0.408078 B\n0.222510 0.915430 0.908097 B\n0.777469 0.084555 0.092031 B\n0.277341 0.084738 0.591670 B\n0.068605 0.738426 0.395833 O\n0.568046 0.741207 0.896662 O\n0.431860 0.258962 0.103372 O\n0.932741 0.259057 0.602396 O\n0.989844 0.492344 0.341542 O\n0.495031 0.494804 0.840810 O\n0.505390 0.505207 0.159862 O\n0.005281 0.505024 0.659088 O\n0.662566 0.999416 0.350760 O\n0.163077 0.999656 0.850821 O\n0.836746 0.000122 0.149281 O\n0.336749 0.000471 0.649129 O\n0.795012 0.811458 0.369851 O\n0.293535 0.810475 0.870155 O\n0.706488 0.189543 0.129904 O\n0.206369 0.189830 0.629426 O\n0.749122 0.569629 0.420759 O\n0.255741 0.569261 0.922651 O\n0.744223 0.430774 0.077400 O\n0.245417 0.431869 0.577034 O\n0.312114 0.649504 0.336917 O\n0.811367 0.662041 0.832237 O\n0.189051 0.338107 0.168687 O\n0.689132 0.337759 0.667814 O\n0.392015 0.771677 0.035253 O\n0.891869 0.771093 0.534604 O\n0.114456 0.233392 0.463405 O\n0.607964 0.228256 0.964811 O\n0.205601 0.927139 0.011048 O\n0.705647 0.927074 0.510855 O\n0.294017 0.072861 0.488883 O\n0.794623 0.072879 0.989138 O\n0.684506 0.323382 0.366407 O\n0.192583 0.322984 0.867113 O\n0.807345 0.677075 0.132885 O\n0.307449 0.677482 0.633072 O\n0.316889 0.892778 0.171841 O\n0.817405 0.893374 0.671280 O\n0.183391 0.106460 0.328006 O\n0.682845 0.106319 0.828508 O\n",
            "nsites": 76,
            "nelements": 5,
            "elements": [
                "K",
                "Na",
                "Sr",
                "B",
                "O"
            ],
            "chemical_system": "B-K-Na-O-Sr",
            "density": 2.6533554914889637,
            "density_atomic": 0.0793266508898693,
            "volume": 958.0638933756607,
            "volume_molar": 7.591573188134026,
            "formula_full": "K3 Na9 Sr4 B20 O40",
            "formula_reduced": "K3Na9Sr4(BO2)20",
            "formula_anonymous": "A3B4C9D20E40",
            "energy": -567.25586219,
            "energy_per_atom": -7.463892923552632,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -539.77586219,
            "band_gap": 4.4954,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001082,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:45.489000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1212152",
            "created_at": "2022-09-04T14:46:18.429214Z",
            "structure_string": "Ho4 Mg4 B20 O40\n1.0\n7.654332 0.000000 0.000000\n0.000000 8.624611 0.000000\n0.000000 8.026317 9.332394\nHo Mg B O\n4 4 20 40\ndirect\n0.192729 0.947533 0.240743 Ho\n0.807271 0.052467 0.759257 Ho\n0.692729 0.052467 0.259257 Ho\n0.307271 0.947533 0.740743 Ho\n0.908471 0.528229 0.371836 Mg\n0.091529 0.471771 0.628164 Mg\n0.408471 0.471771 0.128164 Mg\n0.591529 0.528229 0.871836 Mg\n0.826182 0.911971 0.104223 B\n0.173818 0.088029 0.895777 B\n0.326182 0.088029 0.395777 B\n0.673818 0.911971 0.604223 B\n0.575501 0.659254 0.259051 B\n0.424499 0.340746 0.740949 B\n0.075501 0.340746 0.240949 B\n0.924499 0.659254 0.759051 B\n0.811790 0.476325 0.088778 B\n0.188210 0.523675 0.911222 B\n0.311790 0.523675 0.411222 B\n0.688210 0.476325 0.588778 B\n0.467788 0.722032 0.555919 B\n0.532212 0.277968 0.444081 B\n0.967788 0.277968 0.944081 B\n0.032212 0.722032 0.055919 B\n0.597303 0.844726 0.994901 B\n0.402697 0.155274 0.005099 B\n0.097303 0.155274 0.505099 B\n0.902697 0.844726 0.494901 B\n0.913750 0.310747 0.192985 O\n0.086250 0.689253 0.807015 O\n0.413750 0.689253 0.307015 O\n0.586250 0.310747 0.692985 O\n0.872678 0.672706 0.011073 O\n0.127322 0.327294 0.988927 O\n0.372678 0.327294 0.488927 O\n0.627322 0.672706 0.511073 O\n0.389465 0.906049 0.419087 O\n0.610535 0.093951 0.580913 O\n0.889465 0.093951 0.080913 O\n0.110535 0.906049 0.919087 O\n0.709667 0.804689 0.231397 O\n0.290333 0.195311 0.768603 O\n0.209667 0.195311 0.268603 O\n0.790333 0.804689 0.731397 O\n0.650251 0.422240 0.074938 O\n0.349749 0.577760 0.925062 O\n0.150251 0.577760 0.425062 O\n0.849749 0.422240 0.574938 O\n0.771753 0.971463 0.479257 O\n0.228247 0.028537 0.520743 O\n0.271753 0.028537 0.020743 O\n0.728247 0.971463 0.979257 O\n0.650158 0.453554 0.365453 O\n0.349842 0.546446 0.634547 O\n0.150158 0.546446 0.134547 O\n0.849842 0.453554 0.865453 O\n0.528464 0.689320 0.127739 O\n0.471536 0.310680 0.872261 O\n0.028464 0.310680 0.372261 O\n0.971536 0.689320 0.627739 O\n0.951856 0.882302 0.374108 O\n0.048144 0.117698 0.625892 O\n0.451856 0.117698 0.125892 O\n0.548144 0.882302 0.874108 O\n0.971828 0.766396 0.148904 O\n0.028172 0.233604 0.851096 O\n0.471828 0.233604 0.351096 O\n0.528172 0.766396 0.648904 O\n",
            "nsites": 68,
            "nelements": 4,
            "elements": [
                "Ho",
                "Mg",
                "B",
                "O"
            ],
            "chemical_system": "B-Ho-Mg-O",
            "density": 4.347910024264885,
            "density_atomic": 0.11037457275273527,
            "volume": 616.083924984569,
            "volume_molar": 5.456094288574053,
            "formula_full": "Ho4 Mg4 B20 O40",
            "formula_reduced": "HoMg(BO2)5",
            "formula_anonymous": "ABC5D10",
            "energy": -567.27993561,
            "energy_per_atom": -8.342351994264707,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -539.79993561,
            "band_gap": 6.137099999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0044726,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:31.764000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1176819",
            "created_at": "2022-09-04T14:42:10.342328Z",
            "structure_string": "Li9 Cr12 Fe7 O48\n1.0\n5.111480 0.000000 0.000000\n-0.024259 10.391412 0.000000\n-0.056555 -0.049699 17.521452\nLi Cr Fe O\n9 12 7 48\ndirect\n0.091629 0.750558 0.747914 Li\n0.243290 0.576246 0.032163 Li\n0.247516 0.418127 0.523970 Li\n0.246790 0.081299 0.523857 Li\n0.263028 0.740814 0.200165 Li\n0.744997 0.249889 0.805490 Li\n0.752719 0.081034 0.972157 Li\n0.762190 0.745883 0.301352 Li\n0.911421 0.254098 0.255217 Li\n0.226525 0.248716 0.056342 Cr\n0.225421 0.970596 0.343593 Cr\n0.224717 0.530775 0.345208 Cr\n0.281747 0.470927 0.845616 Cr\n0.278954 0.028009 0.844903 Cr\n0.281535 0.750841 0.556015 Cr\n0.720971 0.249345 0.442486 Cr\n0.723267 0.528220 0.156470 Cr\n0.718116 0.971342 0.152725 Cr\n0.771425 0.469031 0.655422 Cr\n0.770224 0.030782 0.655563 Cr\n0.773324 0.753685 0.945543 Cr\n0.249369 0.248765 0.697440 Fe\n0.242629 0.930604 0.026585 Fe\n0.411432 0.252244 0.250896 Fe\n0.589394 0.749792 0.749656 Fe\n0.753113 0.928286 0.471604 Fe\n0.754437 0.570347 0.471617 Fe\n0.757280 0.427340 0.975709 Fe\n0.053636 0.762155 0.000166 O\n0.048555 0.390498 0.632422 O\n0.048072 0.109331 0.631749 O\n0.106003 0.373542 0.790302 O\n0.096887 0.122946 0.790427 O\n0.099354 0.877749 0.534396 O\n0.102687 0.622782 0.534552 O\n0.101881 0.996207 0.924969 O\n0.100578 0.501523 0.922413 O\n0.168826 0.250336 0.149783 O\n0.167018 0.391451 0.298641 O\n0.170043 0.110235 0.297156 O\n0.344005 0.889732 0.798864 O\n0.345929 0.609354 0.800238 O\n0.348726 0.750408 0.649835 O\n0.403689 0.501216 0.422927 O\n0.405986 0.998839 0.421801 O\n0.395073 0.113607 0.033112 O\n0.411975 0.373544 0.034091 O\n0.395337 0.874582 0.288454 O\n0.400865 0.625820 0.291646 O\n0.434933 0.894267 0.123276 O\n0.452466 0.604402 0.130280 O\n0.455589 0.249176 0.496925 O\n0.559969 0.751144 0.500324 O\n0.559500 0.394104 0.872967 O\n0.549794 0.104507 0.869207 O\n0.581851 0.373890 0.707958 O\n0.579298 0.127051 0.707418 O\n0.576884 0.877008 0.968178 O\n0.609299 0.622193 0.967213 O\n0.601269 0.997648 0.577114 O\n0.605260 0.501880 0.576254 O\n0.650785 0.248738 0.348627 O\n0.658498 0.388621 0.202187 O\n0.656799 0.108645 0.197980 O\n0.829822 0.893448 0.703202 O\n0.831124 0.606624 0.703359 O\n0.831201 0.753077 0.852007 O\n0.903858 0.497339 0.077495 O\n0.912775 0.999200 0.075754 O\n0.901452 0.378780 0.464094 O\n0.900986 0.119266 0.463587 O\n0.881850 0.876698 0.208034 O\n0.901579 0.624141 0.210128 O\n0.945747 0.894058 0.368583 O\n0.944040 0.607758 0.370831 O\n0.950783 0.252881 0.003398 O\n",
            "nsites": 76,
            "nelements": 4,
            "elements": [
                "Li",
                "Cr",
                "Fe",
                "O"
            ],
            "chemical_system": "Cr-Fe-Li-O",
            "density": 3.2925071970198574,
            "density_atomic": 0.08166242438646162,
            "volume": 930.6605892611686,
            "volume_molar": 7.374432984625397,
            "formula_full": "Li9 Cr12 Fe7 O48",
            "formula_reduced": "Li9Cr12Fe7O48",
            "formula_anonymous": "A7B9C12D48",
            "energy": -567.31950649,
            "energy_per_atom": -7.4647303485526315,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -494.56350649,
            "band_gap": 0.1591,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 29.0482554,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:40.324000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1203005",
            "created_at": "2022-09-04T14:39:47.711276Z",
            "structure_string": "Cs8 Ni8 Mo12 O48\n1.0\n10.934574 0.000000 0.000000\n0.000000 10.934574 0.000000\n0.000000 0.000000 10.934574\nCs Ni Mo O\n8 8 12 48\ndirect\n0.429286 0.929286 0.570714 Cs\n0.929286 0.570714 0.429286 Cs\n0.570714 0.429286 0.929286 Cs\n0.070714 0.070714 0.070714 Cs\n0.209023 0.709023 0.790977 Cs\n0.709023 0.790977 0.209023 Cs\n0.790977 0.209023 0.709023 Cs\n0.290977 0.290977 0.290977 Cs\n0.912612 0.412612 0.087388 Ni\n0.412612 0.087388 0.912612 Ni\n0.087388 0.912612 0.412612 Ni\n0.587388 0.587388 0.587388 Ni\n0.637557 0.137557 0.362443 Ni\n0.137557 0.362443 0.637557 Ni\n0.362443 0.637557 0.137557 Ni\n0.862443 0.862443 0.862443 Ni\n0.223426 0.373771 0.947248 Mo\n0.052752 0.723426 0.126229 Mo\n0.873771 0.552752 0.776574 Mo\n0.723426 0.126229 0.052752 Mo\n0.552752 0.776574 0.873771 Mo\n0.373771 0.947248 0.223426 Mo\n0.776574 0.873771 0.552752 Mo\n0.947248 0.223426 0.373771 Mo\n0.126229 0.052752 0.723426 Mo\n0.276574 0.626229 0.447248 Mo\n0.447248 0.276574 0.626229 Mo\n0.626229 0.447248 0.276574 Mo\n0.068390 0.354033 0.995969 O\n0.004031 0.568390 0.145967 O\n0.854033 0.504031 0.931610 O\n0.568390 0.145967 0.004031 O\n0.504031 0.931610 0.854033 O\n0.354033 0.995969 0.068390 O\n0.931610 0.854033 0.504031 O\n0.995969 0.068390 0.354033 O\n0.145967 0.004031 0.568390 O\n0.431610 0.645967 0.495969 O\n0.495969 0.431610 0.645967 O\n0.645967 0.495969 0.431610 O\n0.298601 0.488963 0.036870 O\n0.963130 0.798601 0.011037 O\n0.988963 0.463130 0.701399 O\n0.798601 0.011037 0.963130 O\n0.463130 0.701399 0.988963 O\n0.488963 0.036870 0.298601 O\n0.701399 0.988963 0.463130 O\n0.036870 0.298601 0.488963 O\n0.011037 0.963130 0.798601 O\n0.201399 0.511037 0.536870 O\n0.536870 0.201399 0.511037 O\n0.511037 0.536870 0.201399 O\n0.235025 0.420615 0.789586 O\n0.210414 0.735025 0.079385 O\n0.920615 0.710414 0.764975 O\n0.735025 0.079385 0.210414 O\n0.710414 0.764975 0.920615 O\n0.420615 0.789586 0.235025 O\n0.764975 0.920615 0.710414 O\n0.789586 0.235025 0.420615 O\n0.079385 0.210414 0.735025 O\n0.264975 0.579385 0.289586 O\n0.289586 0.264975 0.579385 O\n0.579385 0.289586 0.264975 O\n0.304644 0.233111 0.974178 O\n0.025822 0.804644 0.266889 O\n0.733111 0.525822 0.695356 O\n0.804644 0.266889 0.025822 O\n0.525822 0.695356 0.733111 O\n0.233111 0.974178 0.304644 O\n0.695356 0.733111 0.525822 O\n0.974178 0.304644 0.233111 O\n0.266889 0.025822 0.804644 O\n0.195356 0.766889 0.474178 O\n0.474178 0.195356 0.766889 O\n0.766889 0.474178 0.195356 O\n",
            "nsites": 76,
            "nelements": 4,
            "elements": [
                "Cs",
                "Ni",
                "Mo",
                "O"
            ],
            "chemical_system": "Cs-Mo-Ni-O",
            "density": 4.38449487031879,
            "density_atomic": 0.05813102599620586,
            "volume": 1307.3913404686928,
            "volume_molar": 10.359598264088882,
            "formula_full": "Cs8 Ni8 Mo12 O48",
            "formula_reduced": "Cs2Ni2(MoO4)3",
            "formula_anonymous": "A2B2C3D12",
            "energy": -567.32676199,
            "energy_per_atom": -7.464825815657895,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -475.59876199,
            "band_gap": 3.8074,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.9998816,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:30.794000Z",
            "spacegroup": 198
        },
        {
            "id": "mp-1209446",
            "created_at": "2022-09-04T14:44:44.776715Z",
            "structure_string": "Sm18 P6 O42\n1.0\n-6.139679 -6.577093 2.051206\n-6.139679 6.577093 2.051206\n-0.027872 0.000000 -12.235276\nSm P O\n18 6 42\ndirect\n0.323886 0.012686 0.914173 Sm\n0.012686 0.323886 0.914173 Sm\n0.682329 0.297328 0.685978 Sm\n0.297328 0.682329 0.685978 Sm\n0.669411 0.322495 0.997020 Sm\n0.322495 0.669411 0.997020 Sm\n0.652096 0.966704 0.797875 Sm\n0.966704 0.652096 0.797875 Sm\n0.665303 0.014317 0.132024 Sm\n0.014317 0.665303 0.132024 Sm\n0.314635 0.965930 0.239290 Sm\n0.965930 0.314635 0.239290 Sm\n0.328450 0.013550 0.574317 Sm\n0.013550 0.328450 0.574317 Sm\n0.657772 0.309923 0.374394 Sm\n0.309923 0.657772 0.374394 Sm\n0.656580 0.967120 0.457185 Sm\n0.967120 0.656580 0.457185 Sm\n0.656510 0.656510 0.951341 P\n0.985899 0.985899 0.365752 P\n0.321093 0.321093 0.419200 P\n0.324921 0.324921 0.798088 P\n0.994383 0.994383 0.003652 P\n0.652027 0.652027 0.574081 P\n0.386056 0.932417 0.741587 O\n0.932417 0.386056 0.741587 O\n0.419104 0.419104 0.367766 O\n0.692035 0.692035 0.465597 O\n0.488354 0.294426 0.794672 O\n0.294426 0.488354 0.794672 O\n0.702499 0.277728 0.185821 O\n0.277728 0.702499 0.185821 O\n0.560414 0.560414 0.005437 O\n0.425020 0.230317 0.492617 O\n0.230317 0.425020 0.492617 O\n0.084854 0.084854 0.477079 O\n0.594840 0.045839 0.630121 O\n0.045839 0.594840 0.630121 O\n0.215552 0.215552 0.311216 O\n0.896893 0.896893 0.891285 O\n0.778088 0.205483 0.849426 O\n0.205483 0.778088 0.849426 O\n0.411970 0.915654 0.074210 O\n0.915654 0.411970 0.074210 O\n0.292147 0.292147 0.911091 O\n0.568181 0.063805 0.297428 O\n0.063805 0.568181 0.297428 O\n0.877181 0.877181 0.397306 O\n0.753871 0.753871 0.683258 O\n0.218354 0.218354 0.693371 O\n0.103637 0.103637 0.972784 O\n0.764442 0.764442 0.056689 O\n0.550150 0.745547 0.878051 O\n0.745547 0.550150 0.878051 O\n0.487036 0.680463 0.573080 O\n0.680463 0.487036 0.573080 O\n0.572309 0.084572 0.963391 O\n0.084572 0.572309 0.963391 O\n0.407558 0.895111 0.408154 O\n0.895111 0.407558 0.408154 O\n0.775343 0.201221 0.522490 O\n0.201221 0.775343 0.522490 O\n0.889218 0.083685 0.295198 O\n0.083685 0.889218 0.295198 O\n0.895807 0.090471 0.073801 O\n0.090471 0.895807 0.073801 O\n",
            "nsites": 66,
            "nelements": 3,
            "elements": [
                "Sm",
                "P",
                "O"
            ],
            "chemical_system": "O-P-Sm",
            "density": 5.985069743308211,
            "density_atomic": 0.06674060254855008,
            "volume": 988.903268471223,
            "volume_molar": 9.023204061754203,
            "formula_full": "Sm18 P6 O42",
            "formula_reduced": "Sm3PO7",
            "formula_anonymous": "AB3C7",
            "energy": -567.3349405,
            "energy_per_atom": -8.595983946969698,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -538.4809405,
            "band_gap": 4.3882,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0002402,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:38.854000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-685767",
            "created_at": "2022-09-04T14:48:17.105470Z",
            "structure_string": "Ta24 Ti5 Se48\n1.0\n13.569233 -6.074653 0.000000\n13.569233 6.074653 0.000000\n10.849742 0.000000 10.164083\nTa Ti Se\n24 5 48\ndirect\n0.073509 0.078491 0.596581 Ta\n0.174434 0.174434 0.174434 Ta\n0.078491 0.596581 0.073509 Ta\n0.425256 0.418714 0.906094 Ta\n0.249233 0.754822 0.745834 Ta\n0.093906 0.574744 0.581286 Ta\n0.583652 0.583652 0.583652 Ta\n0.254166 0.750767 0.245178 Ta\n0.418714 0.906094 0.425256 Ta\n0.038048 0.038048 0.038048 Ta\n0.754822 0.745834 0.249233 Ta\n0.596581 0.073509 0.078491 Ta\n0.403419 0.926491 0.921509 Ta\n0.245178 0.254166 0.750767 Ta\n0.961952 0.961952 0.961952 Ta\n0.581286 0.093906 0.574744 Ta\n0.745834 0.249233 0.754822 Ta\n0.416348 0.416348 0.416348 Ta\n0.906094 0.425256 0.418714 Ta\n0.750767 0.245178 0.254166 Ta\n0.574744 0.581286 0.093906 Ta\n0.921509 0.403419 0.926491 Ta\n0.825566 0.825566 0.825566 Ta\n0.926491 0.921509 0.403419 Ta\n0.327367 0.327367 0.327367 Ti\n0.102784 0.102784 0.102784 Ti\n0.672633 0.672633 0.672633 Ti\n0.500000 0.500000 0.500000 Ti\n0.897216 0.897216 0.897216 Ti\n0.210036 0.538125 0.371079 Se\n0.948956 0.308583 0.137779 Se\n0.961599 0.169415 0.766164 Se\n0.207895 0.383664 0.032276 Se\n0.377566 0.709373 0.036605 Se\n0.122512 0.460818 0.794447 Se\n0.372839 0.544923 0.703852 Se\n0.120573 0.292723 0.455525 Se\n0.233836 0.038401 0.830585 Se\n0.967724 0.792105 0.616336 Se\n0.544475 0.879427 0.707277 Se\n0.296148 0.627161 0.455077 Se\n0.205553 0.877488 0.539182 Se\n0.963395 0.622434 0.290627 Se\n0.371079 0.210036 0.538125 Se\n0.137779 0.948956 0.308583 Se\n0.544923 0.703852 0.372839 Se\n0.292723 0.455525 0.120573 Se\n0.709373 0.036605 0.377566 Se\n0.460818 0.794447 0.122512 Se\n0.383664 0.032276 0.207895 Se\n0.169415 0.766164 0.961599 Se\n0.691417 0.862221 0.051044 Se\n0.461875 0.628921 0.789964 Se\n0.538125 0.371079 0.210036 Se\n0.308583 0.137779 0.948956 Se\n0.830585 0.233836 0.038401 Se\n0.616336 0.967724 0.792105 Se\n0.539182 0.205553 0.877488 Se\n0.290627 0.963395 0.622434 Se\n0.455077 0.296148 0.627161 Se\n0.707277 0.544475 0.879427 Se\n0.628921 0.789964 0.461875 Se\n0.862221 0.051044 0.691417 Se\n0.036605 0.377566 0.709373 Se\n0.794447 0.122512 0.460818 Se\n0.703851 0.372839 0.544923 Se\n0.455525 0.120573 0.292723 Se\n0.766164 0.961599 0.169415 Se\n0.032276 0.207895 0.383664 Se\n0.879427 0.707277 0.544475 Se\n0.627161 0.455077 0.296148 Se\n0.877488 0.539182 0.205553 Se\n0.622434 0.290627 0.963395 Se\n0.038401 0.830585 0.233836 Se\n0.792105 0.616336 0.967724 Se\n0.789964 0.461875 0.628921 Se\n0.051044 0.691417 0.862221 Se\n",
            "nsites": 77,
            "nelements": 3,
            "elements": [
                "Ta",
                "Ti",
                "Se"
            ],
            "chemical_system": "Se-Ta-Ti",
            "density": 8.296823614912306,
            "density_atomic": 0.04595319920593445,
            "volume": 1675.6178314143606,
            "volume_molar": 13.104943429536663,
            "formula_full": "Ta24 Ti5 Se48",
            "formula_reduced": "Ta24Ti5Se48",
            "formula_anonymous": "A5B24C48",
            "energy": -567.3688738999999,
            "energy_per_atom": -7.368426933766233,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -544.7128739,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0194963,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:57.318000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-705040",
            "created_at": "2022-09-04T14:42:54.826466Z",
            "structure_string": "Bi4 W6 C30 O30\n1.0\n7.084589 0.000000 0.000000\n3.172212 10.563166 0.000000\n2.137842 0.156289 17.431296\nBi W C O\n4 6 30 30\ndirect\n0.935728 0.244516 0.257210 Bi\n0.349836 0.239654 0.226011 Bi\n0.064272 0.755484 0.742790 Bi\n0.650164 0.760346 0.773989 Bi\n0.947744 0.514623 0.693235 W\n0.747370 0.976983 0.668437 W\n0.132884 0.222479 0.083046 W\n0.052256 0.485377 0.306765 W\n0.252630 0.023017 0.331563 W\n0.867116 0.777521 0.916954 W\n0.976023 0.038361 0.392383 C\n0.229086 0.441102 0.728931 C\n0.928288 0.424189 0.409653 C\n0.121569 0.213739 0.968327 C\n0.329424 0.041722 0.083167 C\n0.878431 0.786261 0.031673 C\n0.370920 0.296963 0.046719 C\n0.933643 0.402442 0.084772 C\n0.066357 0.597558 0.915228 C\n0.678825 0.553682 0.647720 C\n0.307126 0.129135 0.417309 C\n0.659107 0.140861 0.607403 C\n0.023977 0.961639 0.607617 C\n0.995144 0.658123 0.354223 C\n0.450728 0.030203 0.713891 C\n0.340893 0.859139 0.392597 C\n0.770914 0.558898 0.271069 C\n0.178709 0.546557 0.203943 C\n0.321175 0.446318 0.352280 C\n0.071712 0.575811 0.590347 C\n0.670576 0.958278 0.916833 C\n0.190095 0.917927 0.247479 C\n0.821291 0.453443 0.796057 C\n0.692874 0.870865 0.582691 C\n0.809905 0.082073 0.752521 C\n0.629080 0.703037 0.953281 C\n0.549272 0.969797 0.286109 C\n0.901799 0.140570 0.091647 C\n0.004856 0.341877 0.645777 C\n0.098201 0.859430 0.908353 C\n0.334803 0.187213 0.466224 O\n0.393956 0.763142 0.424572 O\n0.253291 0.577108 0.146634 O\n0.614296 0.608854 0.253110 O\n0.716952 0.930721 0.263822 O\n0.171812 0.959397 0.569782 O\n0.500150 0.662675 0.978692 O\n0.842233 0.145853 0.797133 O\n0.534051 0.567208 0.618999 O\n0.178551 0.497129 0.915383 O\n0.563218 0.060313 0.918334 O\n0.821449 0.502871 0.084617 O\n0.223360 0.908297 0.910303 O\n0.746709 0.422892 0.853366 O\n0.499850 0.337325 0.021308 O\n0.776640 0.091703 0.089697 O\n0.283048 0.069279 0.736178 O\n0.385704 0.391146 0.746890 O\n0.117656 0.211481 0.902550 O\n0.040832 0.242831 0.617954 O\n0.828188 0.040603 0.430218 O\n0.665197 0.812787 0.533776 O\n0.606044 0.236858 0.575428 O\n0.465949 0.432792 0.381001 O\n0.882344 0.788519 0.097450 O\n0.436782 0.939687 0.081666 O\n0.141159 0.605005 0.531550 O\n0.858841 0.394995 0.468450 O\n0.157767 0.854147 0.202867 O\n0.959168 0.757169 0.382046 O\n",
            "nsites": 70,
            "nelements": 4,
            "elements": [
                "Bi",
                "W",
                "C",
                "O"
            ],
            "chemical_system": "Bi-C-O-W",
            "density": 3.5378592444859884,
            "density_atomic": 0.05366110321668264,
            "volume": 1304.4830576319157,
            "volume_molar": 11.222543702992272,
            "formula_full": "Bi4 W6 C30 O30",
            "formula_reduced": "Bi2W3(CO)15",
            "formula_anonymous": "A2B3C15D15",
            "energy": -567.45281151,
            "energy_per_atom": -8.106468735857142,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -520.21481151,
            "band_gap": 1.7956,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0154521,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:55.909000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1214840",
            "created_at": "2022-09-04T14:43:00.015345Z",
            "structure_string": "Ba8 Sc4 V12 O44\n1.0\n0.000000 -7.745338 0.000000\n-11.857664 0.000000 2.895291\n-0.052549 0.000000 -11.500537\nBa Sc V O\n8 4 12 44\ndirect\n0.269856 0.774576 0.943772 Ba\n0.730144 0.225424 0.056228 Ba\n0.769856 0.225424 0.556228 Ba\n0.230144 0.774576 0.443772 Ba\n0.748125 0.556520 0.890011 Ba\n0.251875 0.443480 0.109989 Ba\n0.248125 0.443480 0.609989 Ba\n0.751875 0.556520 0.390011 Ba\n0.493828 0.998330 0.757265 Sc\n0.506172 0.001670 0.242735 Sc\n0.993828 0.001670 0.742735 Sc\n0.006172 0.998330 0.257265 Sc\n0.752510 0.905475 0.974520 V\n0.247490 0.094525 0.025480 V\n0.252510 0.094525 0.525480 V\n0.747490 0.905475 0.474520 V\n0.519437 0.687902 0.673644 V\n0.480563 0.312098 0.326356 V\n0.019437 0.312098 0.826356 V\n0.980563 0.687902 0.173644 V\n0.981022 0.691147 0.672471 V\n0.018978 0.308853 0.327529 V\n0.481022 0.308853 0.827529 V\n0.518978 0.691147 0.172471 V\n0.449004 0.827066 0.716442 O\n0.550996 0.172934 0.283558 O\n0.949004 0.172934 0.783558 O\n0.050996 0.827066 0.216442 O\n0.545292 0.168592 0.800717 O\n0.454708 0.831408 0.199283 O\n0.045292 0.831408 0.699283 O\n0.954708 0.168592 0.300717 O\n0.750390 0.665915 0.667182 O\n0.249610 0.334085 0.332818 O\n0.250390 0.334085 0.832818 O\n0.749610 0.665915 0.167182 O\n0.943401 0.373782 0.964377 O\n0.056599 0.626218 0.035623 O\n0.443401 0.626218 0.535623 O\n0.556599 0.373782 0.464377 O\n0.939110 0.388920 0.731931 O\n0.060890 0.611080 0.268069 O\n0.439110 0.611080 0.768069 O\n0.560890 0.388920 0.231931 O\n0.798005 0.988181 0.622310 O\n0.201995 0.011819 0.377690 O\n0.298005 0.011819 0.877690 O\n0.701995 0.988181 0.122310 O\n0.965074 0.877282 0.971435 O\n0.034926 0.122718 0.028565 O\n0.465074 0.122718 0.528565 O\n0.534926 0.877282 0.471435 O\n0.636565 0.783956 0.945541 O\n0.363435 0.216044 0.054459 O\n0.136565 0.216044 0.554459 O\n0.863435 0.783956 0.445541 O\n0.709613 0.984120 0.862327 O\n0.290387 0.015880 0.137673 O\n0.209613 0.015880 0.637673 O\n0.790387 0.984120 0.362327 O\n0.560195 0.369006 0.719908 O\n0.439805 0.630994 0.280092 O\n0.060195 0.630994 0.780092 O\n0.939805 0.369006 0.219908 O\n0.564789 0.384024 0.959435 O\n0.435211 0.615976 0.040565 O\n0.064789 0.615976 0.540565 O\n0.935211 0.384024 0.459435 O\n",
            "nsites": 68,
            "nelements": 4,
            "elements": [
                "Ba",
                "Sc",
                "V",
                "O"
            ],
            "chemical_system": "Ba-O-Sc-V",
            "density": 4.073135194283009,
            "density_atomic": 0.06430829793128949,
            "volume": 1057.4063097215685,
            "volume_molar": 9.364484761258003,
            "formula_full": "Ba8 Sc4 V12 O44",
            "formula_reduced": "Ba2ScV3O11",
            "formula_anonymous": "AB2C3D11",
            "energy": -567.46271187,
            "energy_per_atom": -8.345039880441178,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -516.83471187,
            "band_gap": 3.2262,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0027257,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:02.907000Z",
            "spacegroup": 14
        }
    ]
}