GET /third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=1731
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=chemical_system&page=1732",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=1730",
    "results": [
        {
            "id": "mp-1228528",
            "created_at": "2022-09-04T14:46:20.933091Z",
            "structure_string": "Ba4 Nb2 P4 O18 F2\n1.0\n7.283218 0.000000 0.000000\n0.000000 7.195165 0.000000\n0.000000 0.191612 9.161460\nBa Nb P O F\n4 2 4 18 2\ndirect\n0.636045 0.328966 0.567614 Ba\n0.136045 0.671034 0.432386 Ba\n0.359825 0.671906 0.928171 Ba\n0.859825 0.328094 0.071829 Ba\n0.493774 0.976440 0.248504 Nb\n0.993774 0.023560 0.751496 Nb\n0.644271 0.805000 0.573375 P\n0.144271 0.195000 0.426625 P\n0.356533 0.195793 0.927038 P\n0.856533 0.804207 0.072962 P\n0.281143 0.322726 0.500672 O\n0.781143 0.677274 0.499328 O\n0.718461 0.677293 0.999466 O\n0.218461 0.322707 0.000534 O\n0.566101 0.957981 0.462022 O\n0.066101 0.042019 0.537978 O\n0.435342 0.044676 0.038506 O\n0.935342 0.955324 0.961494 O\n0.740088 0.932304 0.688524 O\n0.240088 0.067696 0.311476 O\n0.261343 0.066868 0.811553 O\n0.761343 0.933132 0.188447 O\n0.516540 0.306504 0.859787 O\n0.016540 0.693496 0.140213 O\n0.484110 0.694074 0.640026 O\n0.984110 0.305926 0.359974 O\n0.419639 0.740153 0.232177 O\n0.919639 0.259847 0.767823 O\n0.584784 0.259902 0.268037 F\n0.084784 0.740098 0.731963 F\n",
            "nsites": 30,
            "nelements": 5,
            "elements": [
                "Ba",
                "Nb",
                "P",
                "O",
                "F"
            ],
            "chemical_system": "Ba-F-Nb-O-P",
            "density": 4.098636053427155,
            "density_atomic": 0.062487406212394174,
            "volume": 480.096739781937,
            "volume_molar": 9.637367151279722,
            "formula_full": "Ba4 Nb2 P4 O18 F2",
            "formula_reduced": "Ba2NbP2O9F",
            "formula_anonymous": "ABC2D2E9",
            "energy": -239.45355069,
            "energy_per_atom": -7.981785023,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -226.16355069,
            "band_gap": 2.9847,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0027503,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:22.127000Z",
            "spacegroup": 4
        },
        {
            "id": "mp-695140",
            "created_at": "2022-09-04T14:42:09.975649Z",
            "structure_string": "Ba4 Nb1 P4 O18 F2\n1.0\n7.377555 0.000000 0.000000\n-0.100972 7.522517 0.000000\n-0.105546 -0.461882 8.654678\nBa Nb P O F\n4 1 4 18 2\ndirect\n0.669794 0.153820 0.690223 Ba\n0.692160 0.360602 0.219996 Ba\n0.307840 0.639398 0.780004 Ba\n0.330206 0.846180 0.309777 Ba\n0.000000 0.000000 0.000000 Nb\n0.782824 0.641682 0.812270 P\n0.813965 0.866035 0.335745 P\n0.186035 0.133965 0.664255 P\n0.217176 0.358318 0.187730 P\n0.920917 0.551275 0.694757 O\n0.966309 0.927442 0.221025 O\n0.926654 0.739302 0.924019 O\n0.919385 0.808387 0.479149 O\n0.756900 0.079593 0.992160 O\n0.678669 0.492620 0.890161 O\n0.690487 0.022792 0.382114 O\n0.654031 0.775207 0.744036 O\n0.698819 0.715089 0.258466 O\n0.301181 0.284911 0.741534 O\n0.345969 0.224793 0.255964 O\n0.309513 0.977208 0.617886 O\n0.321331 0.507380 0.109839 O\n0.243100 0.920407 0.007840 O\n0.080615 0.191613 0.520851 O\n0.073346 0.260698 0.075981 O\n0.033691 0.072558 0.778975 O\n0.079083 0.448725 0.305243 O\n0.691630 0.415114 0.517540 F\n0.308370 0.584886 0.482460 F\n",
            "nsites": 29,
            "nelements": 5,
            "elements": [
                "Ba",
                "Nb",
                "P",
                "O",
                "F"
            ],
            "chemical_system": "Ba-F-Nb-O-P",
            "density": 3.7755753393837264,
            "density_atomic": 0.060376988825979416,
            "volume": 480.3154407647717,
            "volume_molar": 9.974231701678956,
            "formula_full": "Ba4 Nb1 P4 O18 F2",
            "formula_reduced": "Ba4NbP4(O9F)2",
            "formula_anonymous": "AB2C4D4E18",
            "energy": -212.38093559,
            "energy_per_atom": -7.3234805375862075,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -199.09093559,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.999258,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:40.500000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1192672",
            "created_at": "2022-09-04T14:42:48.491801Z",
            "structure_string": "Ba1 Nb2 Xe5 F22\n1.0\n0.000000 7.066011 7.195161\n6.231503 0.000000 7.195161\n6.231503 7.066011 0.000000\nBa Nb Xe F\n1 2 5 22\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.000000 Nb\n0.500000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Xe\n0.000000 0.000000 0.500000 Xe\n0.500000 0.500000 0.000000 Xe\n0.000000 0.500000 0.500000 Xe\n0.500000 0.000000 0.000000 Xe\n0.146312 0.853688 0.146312 F\n0.853688 0.146312 0.853688 F\n0.199430 0.800570 0.572231 F\n0.427769 0.572231 0.800570 F\n0.572231 0.427769 0.199430 F\n0.800570 0.199430 0.427769 F\n0.803375 0.443292 0.556708 F\n0.196625 0.556708 0.443292 F\n0.556708 0.196625 0.803375 F\n0.443292 0.803375 0.196625 F\n0.207102 0.454801 0.792898 F\n0.545199 0.792898 0.454801 F\n0.792898 0.545199 0.207102 F\n0.454801 0.207102 0.545199 F\n0.912499 0.739132 0.893711 F\n0.454658 0.893711 0.739132 F\n0.893711 0.454658 0.912499 F\n0.739132 0.912499 0.454658 F\n0.087501 0.260868 0.106289 F\n0.545342 0.106289 0.260868 F\n0.106289 0.545342 0.087501 F\n0.260868 0.087501 0.545342 F\n",
            "nsites": 30,
            "nelements": 4,
            "elements": [
                "Ba",
                "Nb",
                "Xe",
                "F"
            ],
            "chemical_system": "Ba-F-Nb-Xe",
            "density": 3.6625614729813374,
            "density_atomic": 0.04734603613364721,
            "volume": 633.6327694955655,
            "volume_molar": 12.7194190935031,
            "formula_full": "Ba1 Nb2 Xe5 F22",
            "formula_reduced": "BaNb2Xe5F22",
            "formula_anonymous": "AB2C5D22",
            "energy": -130.23407445,
            "energy_per_atom": -4.341135815,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -120.07007445,
            "band_gap": 2.6409,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0016426,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:53.346000Z",
            "spacegroup": 69
        },
        {
            "id": "mp-35986",
            "created_at": "2022-09-04T14:45:13.961123Z",
            "structure_string": "Ba8 Nd6 F34\n1.0\n9.574834 0.000000 0.000000\n2.792054 9.176537 0.000000\n2.843532 2.082364 8.989564\nBa Nd F\n8 6 34\ndirect\n0.891782 0.046222 0.312023 Ba\n0.267949 0.261939 0.265955 Ba\n0.049508 0.310470 0.893169 Ba\n0.692250 0.102857 0.956502 Ba\n0.309735 0.892392 0.050983 Ba\n0.947671 0.688414 0.112520 Ba\n0.738038 0.731719 0.733856 Ba\n0.110355 0.944404 0.686703 Ba\n0.469047 0.156572 0.611275 Nd\n0.606259 0.473006 0.169675 Nd\n0.843751 0.389043 0.532224 Nd\n0.182292 0.610948 0.463854 Nd\n0.388553 0.532143 0.840468 Nd\n0.525650 0.821197 0.391470 Nd\n0.993556 0.001132 0.006053 F\n0.452360 0.018188 0.177843 F\n0.137125 0.139640 0.137238 F\n0.358896 0.041151 0.490878 F\n0.020106 0.176043 0.452641 F\n0.257721 0.081482 0.788852 F\n0.784352 0.261252 0.089719 F\n0.493478 0.354840 0.042565 F\n0.177417 0.450349 0.020391 F\n0.543794 0.260753 0.350231 F\n0.703616 0.205678 0.582021 F\n0.262364 0.345200 0.544863 F\n0.048956 0.488713 0.358701 F\n0.411781 0.298180 0.793974 F\n0.916588 0.210655 0.741926 F\n0.338825 0.547822 0.237825 F\n0.799113 0.419762 0.296441 F\n0.199184 0.591459 0.707898 F\n0.462259 0.571794 0.447357 F\n0.651677 0.457083 0.736086 F\n0.084845 0.785545 0.260546 F\n0.593065 0.719940 0.175561 F\n0.963838 0.507713 0.642303 F\n0.744828 0.650467 0.454400 F\n0.271072 0.834407 0.406504 F\n0.448629 0.745808 0.658144 F\n0.822964 0.545449 0.981706 F\n0.511214 0.642148 0.954629 F\n0.209884 0.741243 0.918996 F\n0.737225 0.912200 0.219160 F\n0.981438 0.818202 0.548760 F\n0.642925 0.951197 0.511122 F\n0.863612 0.860019 0.862219 F\n0.549451 0.980161 0.822774 F\n",
            "nsites": 48,
            "nelements": 3,
            "elements": [
                "Ba",
                "Nd",
                "F"
            ],
            "chemical_system": "Ba-F-Nd",
            "density": 5.48710390162699,
            "density_atomic": 0.06077046163002087,
            "volume": 789.8574194191705,
            "volume_molar": 9.909651166817921,
            "formula_full": "Ba8 Nd6 F34",
            "formula_reduced": "Ba4Nd3F17",
            "formula_anonymous": "A3B4C17",
            "energy": -316.22329593,
            "energy_per_atom": -6.587985331875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -300.51529593,
            "band_gap": 6.347799999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 3.6e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:57.051000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-556041",
            "created_at": "2022-09-04T14:41:17.632718Z",
            "structure_string": "Ba2 Ni1 F6\n1.0\n-2.065854 2.065854 8.253403\n2.065854 -2.065854 8.253403\n2.065854 2.065854 -8.253403\nBa Ni F\n2 1 6\ndirect\n0.848839 0.848839 0.000000 Ba\n0.151161 0.151161 0.000000 Ba\n0.500000 0.500000 0.000000 Ni\n0.618881 0.618881 0.000000 F\n0.381119 0.381119 0.000000 F\n0.500000 0.000000 0.500000 F\n0.250000 0.750000 0.500000 F\n0.750000 0.250000 0.500000 F\n0.000000 0.500000 0.500000 F\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "Ba",
                "Ni",
                "F"
            ],
            "chemical_system": "Ba-F-Ni",
            "density": 5.2722065949932375,
            "density_atomic": 0.06387783905403259,
            "volume": 140.89393337785168,
            "volume_molar": 9.427589989238724,
            "formula_full": "Ba2 Ni1 F6",
            "formula_reduced": "Ba2NiF6",
            "formula_anonymous": "AB2C6",
            "energy": -52.84054982000001,
            "energy_per_atom": -5.871172202222223,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -47.52754982,
            "band_gap": 0.7181,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.0017829,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:14.019000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-1215007",
            "created_at": "2022-09-04T14:48:24.295866Z",
            "structure_string": "Ba3 Ni1 F12\n1.0\n6.266183 3.654221 0.000000\n-6.266183 3.654221 0.000000\n0.000000 1.235569 7.217148\nBa Ni F\n3 1 12\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 0.000000 Ba\n0.000000 0.000000 0.000000 Ni\n0.321868 0.608119 0.184534 F\n0.678132 0.391881 0.815466 F\n0.521588 0.091811 0.410263 F\n0.391881 0.678132 0.815466 F\n0.478412 0.908189 0.589737 F\n0.608119 0.321868 0.184534 F\n0.908318 0.121778 0.816110 F\n0.908189 0.478412 0.589737 F\n0.091682 0.878222 0.183890 F\n0.091811 0.521588 0.410263 F\n0.878222 0.091682 0.183890 F\n0.121778 0.908318 0.816110 F\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Ba",
                "Ni",
                "F"
            ],
            "chemical_system": "Ba-F-Ni",
            "density": 3.510092222153067,
            "density_atomic": 0.04840904248705198,
            "volume": 330.51676253004877,
            "volume_molar": 12.440115421846546,
            "formula_full": "Ba3 Ni1 F12",
            "formula_reduced": "Ba3NiF12",
            "formula_anonymous": "AB3C12",
            "energy": -76.37883919000001,
            "energy_per_atom": -4.7736774493750005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -68.29383919,
            "band_gap": 1.4325,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.0001452,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:28.627000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1041199",
            "created_at": "2022-09-04T14:43:11.215052Z",
            "structure_string": "Ba6 Ni6 F33\n1.0\n3.800582 -6.582801 0.000000\n3.800582 6.582801 0.000000\n0.000000 0.000000 13.938962\nBa Ni F\n6 6 33\ndirect\n0.530006 0.181367 0.675695 Ba\n0.153708 0.477499 0.827631 Ba\n0.651361 0.469994 0.009029 Ba\n0.522501 0.676209 0.494297 Ba\n0.323791 0.846292 0.160964 Ba\n0.818633 0.348639 0.342362 Ba\n0.649286 0.975893 0.881808 Ni\n0.856344 0.775117 0.726288 Ni\n0.224883 0.081227 0.392954 Ni\n0.326607 0.350714 0.215141 Ni\n0.918773 0.143656 0.059621 Ni\n0.024107 0.673393 0.548475 Ni\n0.632108 0.050919 0.015486 F\n0.518829 0.711662 0.930278 F\n0.418810 0.367892 0.348819 F\n0.109221 0.505315 0.486018 F\n0.518620 0.269958 0.181226 F\n0.937304 0.604859 0.185391 F\n0.494685 0.603906 0.152685 F\n0.395141 0.332445 0.852058 F\n0.751337 0.481380 0.514560 F\n0.208258 0.267684 0.089663 F\n0.396094 0.890779 0.819352 F\n0.949081 0.581190 0.682153 F\n0.327869 0.043387 0.999046 F\n0.992302 0.414568 0.014190 F\n0.715518 0.672131 0.332379 F\n0.288338 0.807167 0.596945 F\n0.936828 0.091636 0.920994 F\n0.059426 0.791742 0.422996 F\n0.012076 0.126603 0.405899 F\n0.956613 0.284482 0.665713 F\n0.114526 0.987924 0.739233 F\n0.585432 0.577735 0.680856 F\n0.422265 0.007698 0.347523 F\n0.154808 0.063172 0.254327 F\n0.732316 0.940574 0.756329 F\n0.730042 0.248663 0.847893 F\n0.192833 0.481171 0.263612 F\n0.837182 0.668168 0.846452 F\n0.830987 0.162818 0.179785 F\n0.873397 0.885474 0.072566 F\n0.667555 0.062696 0.518725 F\n0.908364 0.845192 0.587661 F\n0.331832 0.169013 0.513119 F\n",
            "nsites": 45,
            "nelements": 3,
            "elements": [
                "Ba",
                "Ni",
                "F"
            ],
            "chemical_system": "Ba-F-Ni",
            "density": 4.292796988788277,
            "density_atomic": 0.06451953821947928,
            "volume": 697.4631443721945,
            "volume_molar": 9.333824956270128,
            "formula_full": "Ba6 Ni6 F33",
            "formula_reduced": "Ba2Ni2F11",
            "formula_anonymous": "A2B2C11",
            "energy": -228.07394315,
            "energy_per_atom": -5.068309847777778,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -197.58194315,
            "band_gap": 0.6261999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 21.0012632,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:00.648000Z",
            "spacegroup": 145
        },
        {
            "id": "mp-560626",
            "created_at": "2022-09-04T14:40:52.313383Z",
            "structure_string": "Ba2 Ni7 F18\n1.0\n7.004019 0.000000 0.000000\n-3.178526 6.584915 0.000000\n-0.408929 -0.846754 7.496427\nBa Ni F\n2 7 18\ndirect\n0.686133 0.306418 0.366462 Ba\n0.313867 0.693582 0.633538 Ba\n0.394380 0.278035 0.882035 Ni\n0.605620 0.721965 0.117965 Ni\n0.181104 0.384143 0.195200 Ni\n0.818896 0.615857 0.804800 Ni\n0.810459 0.124689 0.818120 Ni\n0.189541 0.875311 0.181880 Ni\n0.000000 0.000000 0.500000 Ni\n0.319015 0.512344 0.973737 F\n0.680985 0.487656 0.026263 F\n0.504430 0.078031 0.817464 F\n0.495570 0.921969 0.182536 F\n0.900279 0.394936 0.719384 F\n0.099721 0.605064 0.280616 F\n0.293917 0.174144 0.119374 F\n0.706083 0.825856 0.880626 F\n0.097556 0.127850 0.758002 F\n0.479256 0.559132 0.321374 F\n0.520744 0.440868 0.678626 F\n0.107609 0.770129 0.927305 F\n0.892391 0.229871 0.072695 F\n0.718329 0.992659 0.558553 F\n0.281671 0.007341 0.441447 F\n0.922303 0.719384 0.574524 F\n0.077697 0.280616 0.425476 F\n0.902444 0.872150 0.241998 F\n",
            "nsites": 27,
            "nelements": 3,
            "elements": [
                "Ba",
                "Ni",
                "F"
            ],
            "chemical_system": "Ba-F-Ni",
            "density": 4.934808124892816,
            "density_atomic": 0.07809297342247708,
            "volume": 345.7417334326872,
            "volume_molar": 7.711501427177929,
            "formula_full": "Ba2 Ni7 F18",
            "formula_reduced": "Ba2Ni7F18",
            "formula_anonymous": "A2B7C18",
            "energy": -152.6367237,
            "energy_per_atom": -5.653211988888889,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -126.5337237,
            "band_gap": 4.4443,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 13.9997365,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:00.399000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-613910",
            "created_at": "2022-09-04T14:40:38.717573Z",
            "structure_string": "Ba1 Ni1 F6\n1.0\n3.189998 -3.726527 0.000000\n3.189998 3.726527 0.000000\n-1.163299 0.000000 4.765483\nBa Ni F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ni\n0.735674 0.735674 0.071528 F\n0.071528 0.735674 0.735674 F\n0.928472 0.264326 0.264326 F\n0.264326 0.264326 0.928472 F\n0.264326 0.928472 0.264326 F\n0.735674 0.071528 0.735674 F\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Ba",
                "Ni",
                "F"
            ],
            "chemical_system": "Ba-F-Ni",
            "density": 4.543539886345146,
            "density_atomic": 0.07060872733231507,
            "volume": 113.3004417761073,
            "volume_molar": 8.528890106823784,
            "formula_full": "Ba1 Ni1 F6",
            "formula_reduced": "BaNiF6",
            "formula_anonymous": "ABC6",
            "energy": -40.32703182,
            "energy_per_atom": -5.0408789775,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -35.01403182,
            "band_gap": 0.0,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0002177,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:03.172000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-27680",
            "created_at": "2022-09-04T14:41:09.877783Z",
            "structure_string": "Ba4 Ni6 F20\n1.0\n3.014269 9.384231 0.000000\n-3.014269 9.384231 0.000000\n0.000000 2.950797 7.379829\nBa Ni F\n4 6 20\ndirect\n0.783091 0.783091 0.813290 Ba\n0.216909 0.216909 0.186710 Ba\n0.885377 0.885377 0.220936 Ba\n0.114623 0.114623 0.779064 Ba\n0.753202 0.246798 0.500000 Ni\n0.246798 0.753202 0.500000 Ni\n0.677364 0.677364 0.483124 Ni\n0.322636 0.322636 0.516876 Ni\n0.574550 0.574550 0.040588 Ni\n0.425450 0.425450 0.959412 Ni\n0.500000 0.000000 0.500000 F\n0.000000 0.500000 0.500000 F\n0.274608 0.725392 0.000000 F\n0.725392 0.274608 0.000000 F\n0.736718 0.736718 0.219539 F\n0.263282 0.263282 0.780461 F\n0.982581 0.982581 0.681819 F\n0.017419 0.017419 0.318181 F\n0.634091 0.634091 0.756775 F\n0.365909 0.365909 0.243225 F\n0.870597 0.352826 0.473290 F\n0.647174 0.129403 0.526710 F\n0.129403 0.647174 0.526710 F\n0.352826 0.870597 0.473290 F\n0.111633 0.588846 0.975717 F\n0.411154 0.888367 0.024283 F\n0.888367 0.411154 0.024283 F\n0.588846 0.111633 0.975717 F\n0.478766 0.478766 0.683992 F\n0.521234 0.521234 0.316008 F\n",
            "nsites": 30,
            "nelements": 3,
            "elements": [
                "Ba",
                "Ni",
                "F"
            ],
            "chemical_system": "Ba-F-Ni",
            "density": 5.096701326638538,
            "density_atomic": 0.07185620280110012,
            "volume": 417.5004916839371,
            "volume_molar": 8.380822427632928,
            "formula_full": "Ba4 Ni6 F20",
            "formula_reduced": "Ba2Ni3F10",
            "formula_anonymous": "A2B3C10",
            "energy": -172.45358782,
            "energy_per_atom": -5.748452927333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -147.96758782,
            "band_gap": 4.6348,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 11.9998617,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:15.320000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-555321",
            "created_at": "2022-09-04T14:44:28.528098Z",
            "structure_string": "Ba2 Ni2 F8\n1.0\n2.102135 -7.386544 0.000000\n2.102135 7.386544 0.000000\n0.000000 0.000000 5.908786\nBa Ni F\n2 2 8\ndirect\n0.147190 0.852810 0.041719 Ba\n0.852810 0.147190 0.541719 Ba\n0.413720 0.586280 0.999606 Ni\n0.586280 0.413720 0.499606 Ni\n0.336022 0.663978 0.272030 F\n0.078877 0.921123 0.489415 F\n0.471946 0.528054 0.680822 F\n0.528054 0.471946 0.180822 F\n0.302091 0.697909 0.806708 F\n0.697909 0.302091 0.306708 F\n0.663978 0.336022 0.772030 F\n0.921123 0.078877 0.989415 F\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Ba",
                "Ni",
                "F"
            ],
            "chemical_system": "Ba-F-Ni",
            "density": 4.9231177257294405,
            "density_atomic": 0.06539598668640217,
            "volume": 183.49749897565454,
            "volume_molar": 9.208731399494562,
            "formula_full": "Ba2 Ni2 F8",
            "formula_reduced": "BaNiF4",
            "formula_anonymous": "ABC4",
            "energy": -71.31150267,
            "energy_per_atom": -5.942625222499999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -62.53350267,
            "band_gap": 4.6572,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 5.1168245,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:38.609000Z",
            "spacegroup": 36
        },
        {
            "id": "mp-1219599",
            "created_at": "2022-09-04T14:39:24.752014Z",
            "structure_string": "Rb1 Ba2 Ni2 F9\n1.0\n7.295006 -2.935074 0.000000\n7.295006 2.935074 0.000000\n6.114109 0.000000 4.944639\nRb Ba Ni F\n1 2 2 9\ndirect\n0.213012 0.213012 0.213012 Rb\n0.998800 0.998800 0.998800 Ba\n0.793690 0.793690 0.793690 Ba\n0.389647 0.389647 0.389647 Ni\n0.606714 0.606714 0.606714 Ni\n0.268140 0.772444 0.268140 F\n0.772444 0.268140 0.268140 F\n0.268140 0.268140 0.772444 F\n0.731952 0.220769 0.731952 F\n0.220769 0.731952 0.731952 F\n0.731952 0.731952 0.220769 F\n0.992639 0.506051 0.506051 F\n0.506051 0.506051 0.992639 F\n0.506051 0.992639 0.506051 F\n",
            "nsites": 14,
            "nelements": 4,
            "elements": [
                "Rb",
                "Ba",
                "Ni",
                "F"
            ],
            "chemical_system": "Ba-F-Ni-Rb",
            "density": 5.085643563625465,
            "density_atomic": 0.06611785281055717,
            "volume": 211.74311331786916,
            "volume_molar": 9.108191666863133,
            "formula_full": "Rb1 Ba2 Ni2 F9",
            "formula_reduced": "RbBa2Ni2F9",
            "formula_anonymous": "AB2C2D9",
            "energy": -78.36751919,
            "energy_per_atom": -5.5976799421428565,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -69.12751919,
            "band_gap": 5.267799999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9994328,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:42.498000Z",
            "spacegroup": 160
        }
    ]
}