GET /third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=1729
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=-total_magnetization&page=1730",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=1728",
    "results": [
        {
            "id": "mp-1210714",
            "created_at": "2022-09-04T14:43:55.068506Z",
            "structure_string": "V4 H48 S4 O40\n1.0\n5.079540 3.636186 -0.835711\n5.079540 -3.636186 -0.835711\n0.263208 0.000000 -24.815459\nV H S O\n4 48 4 40\ndirect\n0.054212 0.945788 0.750000 V\n0.945788 0.054212 0.250000 V\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.327495 0.003460 0.655096 H\n0.672505 0.996540 0.344904 H\n0.996540 0.672505 0.844904 H\n0.003460 0.327495 0.155096 H\n0.443950 0.703790 0.801754 H\n0.556050 0.296210 0.198246 H\n0.296210 0.556050 0.698246 H\n0.703790 0.443950 0.301754 H\n0.710177 0.354952 0.941495 H\n0.289823 0.645048 0.058505 H\n0.645048 0.289823 0.558505 H\n0.354952 0.710177 0.441495 H\n0.318902 0.931783 0.907355 H\n0.681098 0.068217 0.092645 H\n0.068217 0.681098 0.592645 H\n0.931783 0.318902 0.407355 H\n0.692474 0.752174 0.001996 H\n0.307526 0.247826 0.998004 H\n0.247826 0.307526 0.498004 H\n0.752174 0.692474 0.501996 H\n0.780002 0.898177 0.845816 H\n0.219998 0.101823 0.154184 H\n0.101823 0.219998 0.654184 H\n0.898177 0.780002 0.345816 H\n0.354693 0.964296 0.421447 H\n0.645307 0.035704 0.578553 H\n0.035704 0.645307 0.078553 H\n0.964296 0.354693 0.921447 H\n0.304751 0.712323 0.569076 H\n0.695249 0.287677 0.430924 H\n0.287677 0.695249 0.930924 H\n0.712323 0.304751 0.069076 H\n0.661712 0.924521 0.947255 H\n0.338288 0.075479 0.052745 H\n0.075479 0.338288 0.552745 H\n0.924521 0.661712 0.447255 H\n0.665037 0.192690 0.700198 H\n0.334963 0.807310 0.299802 H\n0.807310 0.334963 0.799802 H\n0.192690 0.665037 0.200198 H\n0.493862 0.920813 0.767913 H\n0.506138 0.079187 0.232087 H\n0.079187 0.506138 0.732087 H\n0.920813 0.493862 0.267913 H\n0.719098 0.939173 0.689302 H\n0.280902 0.060827 0.310698 H\n0.060827 0.280902 0.810698 H\n0.939173 0.719098 0.189302 H\n0.419415 0.317378 0.876521 S\n0.580585 0.682622 0.123479 S\n0.682622 0.580585 0.623479 S\n0.317378 0.419415 0.376521 S\n0.211201 0.861032 0.928574 O\n0.788799 0.138968 0.071426 O\n0.138968 0.788799 0.571426 O\n0.861032 0.211201 0.428574 O\n0.541519 0.422525 0.830526 O\n0.458481 0.577475 0.169474 O\n0.577475 0.458481 0.669474 O\n0.422525 0.541519 0.330526 O\n0.201246 0.098986 0.677856 O\n0.798754 0.901014 0.322144 O\n0.901014 0.798754 0.822144 O\n0.098986 0.201246 0.177856 O\n0.625193 0.822322 0.634062 O\n0.374807 0.177678 0.365938 O\n0.177678 0.374807 0.865938 O\n0.822322 0.625193 0.134062 O\n0.529616 0.065242 0.882113 O\n0.470384 0.934758 0.117887 O\n0.934758 0.470384 0.617887 O\n0.065242 0.529616 0.382113 O\n0.318961 0.863785 0.452963 O\n0.681039 0.136215 0.547037 O\n0.136215 0.681039 0.047037 O\n0.863785 0.318961 0.952963 O\n0.372984 0.858898 0.784671 O\n0.627016 0.141102 0.215329 O\n0.141102 0.627016 0.715329 O\n0.858898 0.372984 0.284671 O\n0.758824 0.853889 0.976957 O\n0.241176 0.146111 0.023043 O\n0.146111 0.241176 0.523043 O\n0.853889 0.758824 0.476957 O\n0.721935 0.034123 0.717622 O\n0.278065 0.965877 0.282378 O\n0.965877 0.278065 0.782378 O\n0.034123 0.721935 0.217622 O\n0.427335 0.403321 0.929313 O\n0.572665 0.596679 0.070687 O\n0.596679 0.572665 0.570687 O\n0.403321 0.427335 0.429313 O\n",
            "nsites": 96,
            "nelements": 4,
            "elements": [
                "V",
                "H",
                "S",
                "O"
            ],
            "chemical_system": "H-O-S-V",
            "density": 1.8516039923683858,
            "density_atomic": 0.10490760649359672,
            "volume": 915.0909377182253,
            "volume_molar": 5.740423369937027,
            "formula_full": "V4 H48 S4 O40",
            "formula_reduced": "VH12SO10",
            "formula_anonymous": "ABC10D12",
            "energy": -554.98044551,
            "energy_per_atom": -5.781046307395833,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -520.70044551,
            "band_gap": 2.2702,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.000145,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:21.128000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-753502",
            "created_at": "2022-09-04T14:43:04.472326Z",
            "structure_string": "Li4 Mn3 O1 F11\n1.0\n5.924553 0.000000 0.000000\n-0.804003 5.959756 0.000000\n-0.764147 -0.988536 5.947426\nLi Mn O F\n4 3 1 11\ndirect\n0.990472 0.974630 0.004102 Li\n0.753459 0.392842 0.922522 Li\n0.861315 0.711494 0.398008 Li\n0.593345 0.120014 0.277945 Li\n0.399622 0.881938 0.698863 Mn\n0.128016 0.336057 0.593611 Mn\n0.286593 0.593172 0.088947 Mn\n0.356279 0.591207 0.793218 O\n0.079138 0.891203 0.676987 F\n0.319137 0.924491 0.107845 F\n0.204595 0.569915 0.377667 F\n0.084198 0.293245 0.934528 F\n0.597986 0.839569 0.452106 F\n0.397503 0.181537 0.587944 F\n0.921806 0.676138 0.079715 F\n0.535297 0.401829 0.150453 F\n0.854014 0.458779 0.610024 F\n0.679442 0.030947 0.902588 F\n0.957784 0.130996 0.342926 F\n",
            "nsites": 19,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "O",
                "F"
            ],
            "chemical_system": "F-Li-Mn-O",
            "density": 3.301830993267777,
            "density_atomic": 0.09047747778269981,
            "volume": 209.99701213635055,
            "volume_molar": 6.655955611918586,
            "formula_full": "Li4 Mn3 O1 F11",
            "formula_reduced": "Li4Mn3OF11",
            "formula_anonymous": "AB3C4D11",
            "energy": -114.84059043,
            "energy_per_atom": -6.044241601578948,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -104.06759043,
            "band_gap": 1.0383,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.0001449,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:00.916000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-32495",
            "created_at": "2022-09-04T14:46:08.601074Z",
            "structure_string": "Li6 V6 P8 O32\n1.0\n4.982657 0.000000 0.000000\n0.000000 8.230306 0.000000\n0.000000 5.831144 14.397072\nLi V P O\n6 6 8 32\ndirect\n0.521908 0.298415 0.877840 Li\n0.021908 0.701585 0.622160 Li\n0.978092 0.298415 0.377840 Li\n0.478092 0.701585 0.122160 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 V\n0.926597 0.821829 0.208213 V\n0.426597 0.178171 0.291787 V\n0.573403 0.821829 0.708213 V\n0.500000 0.500000 0.000000 V\n0.073403 0.178171 0.791787 V\n0.504902 0.526516 0.349844 P\n0.495098 0.473484 0.650156 P\n0.995098 0.526516 0.849844 P\n0.511133 0.927003 0.892772 P\n0.011133 0.072997 0.607228 P\n0.488867 0.072997 0.107228 P\n0.988867 0.927003 0.392772 P\n0.004902 0.473484 0.150156 P\n0.427601 0.907911 0.800678 O\n0.082182 0.653814 0.158007 O\n0.201792 0.522719 0.372142 O\n0.582182 0.346186 0.341993 O\n0.203571 0.000133 0.111667 O\n0.917818 0.346186 0.841993 O\n0.796429 0.999867 0.888333 O\n0.583022 0.677643 0.257140 O\n0.468460 0.758338 0.978745 O\n0.327196 0.451649 0.573123 O\n0.703571 0.999867 0.388333 O\n0.672804 0.548351 0.426877 O\n0.072399 0.907911 0.300678 O\n0.572399 0.092089 0.199322 O\n0.296429 0.000133 0.611667 O\n0.083022 0.322357 0.242860 O\n0.172804 0.451649 0.073123 O\n0.298208 0.522719 0.872142 O\n0.916978 0.677643 0.757140 O\n0.968460 0.241662 0.521255 O\n0.827196 0.548351 0.926877 O\n0.531540 0.241662 0.021255 O\n0.927601 0.092089 0.699322 O\n0.694180 0.934815 0.096756 O\n0.417818 0.653814 0.658007 O\n0.305820 0.065185 0.903244 O\n0.798208 0.477281 0.627858 O\n0.416978 0.322357 0.742860 O\n0.701792 0.477281 0.127858 O\n0.031540 0.758338 0.478745 O\n0.194180 0.065185 0.403244 O\n0.805820 0.934815 0.596756 O\n",
            "nsites": 52,
            "nelements": 4,
            "elements": [
                "Li",
                "V",
                "P",
                "O"
            ],
            "chemical_system": "Li-O-P-V",
            "density": 3.113661658089171,
            "density_atomic": 0.08807490688940982,
            "volume": 590.4065282214056,
            "volume_molar": 6.837521574177339,
            "formula_full": "Li6 V6 P8 O32",
            "formula_reduced": "Li3V3(PO4)4",
            "formula_anonymous": "A3B3C4D16",
            "energy": -407.49700779,
            "energy_per_atom": -7.836480919038461,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -375.31300779,
            "band_gap": 2.1668000000000003,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.0001435,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:22.831000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1041889",
            "created_at": "2022-09-04T14:40:09.899741Z",
            "structure_string": "Mg2 Mo4 O8\n1.0\n-3.032014 3.062621 4.771138\n3.032014 -3.062621 4.771138\n3.032014 3.062621 -4.771138\nMg Mo O\n2 4 8\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.621489 0.871489 0.750000 Mo\n0.378511 0.128511 0.250000 Mo\n0.000000 0.500000 0.500000 Mo\n0.500000 0.500000 0.000000 Mo\n0.778250 0.273795 0.504455 O\n0.222327 0.724308 0.001981 O\n0.269340 0.273795 0.995545 O\n0.222327 0.220347 0.498019 O\n0.777673 0.779653 0.501981 O\n0.777673 0.275692 0.998019 O\n0.730660 0.726205 0.004455 O\n0.221750 0.726205 0.495545 O\n",
            "nsites": 14,
            "nelements": 3,
            "elements": [
                "Mg",
                "Mo",
                "O"
            ],
            "chemical_system": "Mg-Mo-O",
            "density": 5.2506591449099576,
            "density_atomic": 0.07899900252567214,
            "volume": 177.21742746625756,
            "volume_molar": 7.623059238049237,
            "formula_full": "Mg2 Mo4 O8",
            "formula_reduced": "Mg(MoO2)2",
            "formula_anonymous": "AB2C4",
            "energy": -113.93846241,
            "energy_per_atom": -8.138461600714285,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -95.63446241,
            "band_gap": 0.9349999999999996,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.0001417,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:47.965000Z",
            "spacegroup": 74
        },
        {
            "id": "mp-776403",
            "created_at": "2022-09-04T14:40:35.432176Z",
            "structure_string": "Li1 V6 O7 F5\n1.0\n5.675938 0.000000 0.000000\n1.744491 5.418617 0.000000\n2.444374 1.749992 6.938375\nLi V O F\n1 6 7 5\ndirect\n0.431686 0.926553 0.572243 Li\n0.678654 0.662931 0.848875 V\n0.374828 0.338695 0.690353 V\n0.668454 0.654988 0.320203 V\n0.989905 0.024467 0.483929 V\n0.320437 0.306245 0.159168 V\n0.970922 0.024157 0.997648 V\n0.221814 0.222751 0.968427 O\n0.576508 0.579317 0.629687 O\n0.643195 0.025082 0.667716 O\n0.965851 0.364479 0.329088 O\n0.358183 0.948868 0.343479 O\n0.771914 0.772277 0.034399 O\n0.680486 0.311578 0.002341 O\n0.050218 0.635830 0.663761 F\n0.110637 0.108519 0.692605 F\n0.888735 0.904237 0.295780 F\n0.430373 0.415190 0.373746 F\n0.290955 0.702053 0.002081 F\n",
            "nsites": 19,
            "nelements": 4,
            "elements": [
                "Li",
                "V",
                "O",
                "F"
            ],
            "chemical_system": "F-Li-O-V",
            "density": 4.04311254767414,
            "density_atomic": 0.08903683922901968,
            "volume": 213.3948168479834,
            "volume_molar": 6.76365065533145,
            "formula_full": "Li1 V6 O7 F5",
            "formula_reduced": "LiV6O7F5",
            "formula_anonymous": "AB5C6D7",
            "energy": -152.24728093,
            "energy_per_atom": -8.013014785789473,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -134.92828093,
            "band_gap": 1.1393000000000004,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.0001416,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:03.750000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-26017",
            "created_at": "2022-09-04T14:43:15.931765Z",
            "structure_string": "Li4 Co4 P4 O16\n1.0\n10.195903 0.000000 0.000000\n0.000000 5.066096 0.000000\n0.000000 5.016594 6.804830\nLi Co P O\n4 4 4 16\ndirect\n0.344950 0.705450 0.492619 Li\n0.655050 0.294550 0.507381 Li\n0.155050 0.705450 0.992619 Li\n0.844950 0.294550 0.007381 Li\n0.843914 0.794784 0.508972 Co\n0.343914 0.205216 0.991028 Co\n0.156086 0.205216 0.491028 Co\n0.656086 0.794784 0.008972 Co\n0.595439 0.550989 0.754904 P\n0.095439 0.449011 0.745096 P\n0.404561 0.449011 0.245096 P\n0.904561 0.550989 0.254904 P\n0.843225 0.241948 0.444458 O\n0.656775 0.241948 0.944458 O\n0.661534 0.617049 0.568841 O\n0.338466 0.382951 0.431159 O\n0.161534 0.382951 0.931159 O\n0.946118 0.499354 0.753995 O\n0.553882 0.499354 0.253995 O\n0.446118 0.500646 0.746005 O\n0.878267 0.849778 0.258802 O\n0.156775 0.758052 0.555542 O\n0.621733 0.849778 0.758802 O\n0.838466 0.617049 0.068841 O\n0.378267 0.150222 0.241198 O\n0.343225 0.758052 0.055542 O\n0.121733 0.150222 0.741198 O\n0.053882 0.500646 0.246005 O\n",
            "nsites": 28,
            "nelements": 4,
            "elements": [
                "Li",
                "Co",
                "P",
                "O"
            ],
            "chemical_system": "Co-Li-O-P",
            "density": 3.0394973386777857,
            "density_atomic": 0.07966024559597881,
            "volume": 351.492765186923,
            "volume_molar": 7.559781814561707,
            "formula_full": "Li4 Co4 P4 O16",
            "formula_reduced": "LiCoPO4",
            "formula_anonymous": "ABCD4",
            "energy": -204.19904387,
            "energy_per_atom": -7.292822995357143,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -186.65504387,
            "band_gap": 2.8088,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 12.0001365,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:06.013000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-540256",
            "created_at": "2022-09-04T14:41:15.602487Z",
            "structure_string": "Ni4 P4 O16\n1.0\n10.029874 0.000000 0.000000\n0.000000 5.051742 0.000000\n0.000000 4.964102 7.154354\nNi P O\n4 4 16\ndirect\n0.172740 0.168696 0.026920 Ni\n0.672740 0.831304 0.473080 Ni\n0.327260 0.168696 0.526920 Ni\n0.827260 0.831304 0.973080 Ni\n0.405675 0.896840 0.289699 P\n0.905675 0.103160 0.210301 P\n0.094325 0.896840 0.789699 P\n0.594325 0.103160 0.710301 P\n0.630678 0.426796 0.682047 O\n0.849447 0.114611 0.040687 O\n0.844752 0.825950 0.398501 O\n0.058932 0.051850 0.224516 O\n0.558932 0.948150 0.275484 O\n0.344752 0.174050 0.101499 O\n0.349447 0.885389 0.459313 O\n0.130678 0.573204 0.817953 O\n0.869322 0.426796 0.182047 O\n0.650553 0.114611 0.540687 O\n0.655248 0.825950 0.898501 O\n0.441068 0.051850 0.724516 O\n0.941068 0.948150 0.775484 O\n0.155248 0.174050 0.601499 O\n0.150553 0.885389 0.959313 O\n0.369322 0.573204 0.317953 O\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Ni",
                "P",
                "O"
            ],
            "chemical_system": "Ni-O-P",
            "density": 2.815634716820581,
            "density_atomic": 0.06620704075002945,
            "volume": 362.49921047844634,
            "volume_molar": 9.095921962041963,
            "formula_full": "Ni4 P4 O16",
            "formula_reduced": "NiPO4",
            "formula_anonymous": "ABC4",
            "energy": -169.26466472,
            "energy_per_atom": -7.052694363333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -148.10866472,
            "band_gap": 0.9274,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.0001321,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:16.870000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-19139",
            "created_at": "2022-09-04T14:43:16.596900Z",
            "structure_string": "Mg4 Mo6 O16\n1.0\n3.139779 -5.438256 0.000000\n3.139779 5.438256 0.000000\n0.000000 0.000000 9.491398\nMg Mo O\n4 6 16\ndirect\n0.666667 0.333333 0.585503 Mg\n0.333333 0.666667 0.085503 Mg\n0.666667 0.333333 0.973935 Mg\n0.333333 0.666667 0.473935 Mg\n0.328408 0.164204 0.257467 Mo\n0.835796 0.671592 0.257467 Mo\n0.835796 0.164204 0.257467 Mo\n0.671592 0.835796 0.757467 Mo\n0.164204 0.328408 0.757467 Mo\n0.164204 0.835796 0.757467 Mo\n0.000000 0.000000 0.143154 O\n0.000000 0.000000 0.643154 O\n0.666667 0.333333 0.376651 O\n0.333333 0.666667 0.876651 O\n0.961983 0.480991 0.130909 O\n0.519009 0.038017 0.130909 O\n0.519009 0.480991 0.130909 O\n0.038017 0.519009 0.630909 O\n0.480991 0.961983 0.630909 O\n0.480991 0.519009 0.630909 O\n0.339722 0.169861 0.853161 O\n0.830139 0.660278 0.853161 O\n0.830139 0.169861 0.853161 O\n0.660278 0.830139 0.353161 O\n0.169861 0.339722 0.353161 O\n0.169861 0.830139 0.353161 O\n",
            "nsites": 26,
            "nelements": 3,
            "elements": [
                "Mg",
                "Mo",
                "O"
            ],
            "chemical_system": "Mg-Mo-O",
            "density": 4.758564510045896,
            "density_atomic": 0.08021478786341045,
            "volume": 324.12976076521875,
            "volume_molar": 7.50751939935874,
            "formula_full": "Mg4 Mo6 O16",
            "formula_reduced": "Mg2Mo3O8",
            "formula_anonymous": "A2B3C8",
            "energy": -210.2529671,
            "energy_per_atom": -8.08665258076923,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -180.0489671,
            "band_gap": 0.0021000000000004,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.0001319,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:02.666000Z",
            "spacegroup": 186
        },
        {
            "id": "mp-759741",
            "created_at": "2022-09-04T14:40:15.899555Z",
            "structure_string": "Li18 V6 P16 O58\n1.0\n9.843338 0.000000 0.000000\n-4.912570 8.550973 0.000000\n-0.052630 -0.040933 13.712172\nLi V P O\n18 6 16 58\ndirect\n0.759027 0.096364 0.072149 Li\n0.897803 0.238247 0.562294 Li\n0.340577 0.100327 0.561644 Li\n0.658145 0.317219 0.377201 Li\n0.667589 0.334449 0.882013 Li\n0.331659 0.230686 0.066534 Li\n0.900922 0.666992 0.064820 Li\n0.237426 0.340251 0.432281 Li\n0.761301 0.659516 0.563553 Li\n0.098989 0.333141 0.938238 Li\n0.668042 0.765850 0.939439 Li\n0.332433 0.666373 0.618306 Li\n0.347304 0.684642 0.122613 Li\n0.655765 0.902479 0.425395 Li\n0.105337 0.764161 0.433084 Li\n0.565592 0.998739 0.248652 Li\n0.235343 0.902437 0.939863 Li\n0.999149 0.996743 0.005479 Li\n0.436313 0.436113 0.248329 V\n0.564832 0.564378 0.750755 V\n0.999076 0.434816 0.750483 V\n0.001588 0.564652 0.249953 V\n0.436256 0.000701 0.750796 V\n0.001272 0.002794 0.495929 V\n0.775256 0.089703 0.845880 P\n0.909948 0.221293 0.344523 P\n0.314648 0.092143 0.344773 P\n0.671495 0.334379 0.124934 P\n0.666579 0.333548 0.623350 P\n0.315939 0.226109 0.845461 P\n0.221536 0.311363 0.655145 P\n0.910577 0.684612 0.845165 P\n0.087832 0.314613 0.155621 P\n0.778781 0.688199 0.343490 P\n0.684403 0.775007 0.153794 P\n0.332656 0.661839 0.375665 P\n0.333384 0.666398 0.875833 P\n0.688936 0.910503 0.654707 P\n0.089467 0.777751 0.655353 P\n0.227112 0.907369 0.155492 P\n0.788885 0.003041 0.566482 O\n0.750012 0.080746 0.348773 O\n0.993876 0.227124 0.065777 O\n0.923684 0.250517 0.845464 O\n0.629919 0.109870 0.834633 O\n0.682179 0.195117 0.160045 O\n0.474226 0.107962 0.345953 O\n0.218840 0.999912 0.067543 O\n0.327597 0.077025 0.845743 O\n0.809884 0.322749 0.663276 O\n0.903042 0.375012 0.336102 O\n0.513203 0.189835 0.662291 O\n0.677023 0.355717 0.015251 O\n0.668419 0.336035 0.513360 O\n0.520829 0.332708 0.164716 O\n0.890712 0.520149 0.833439 O\n0.819305 0.489312 0.170365 O\n0.322393 0.251928 0.342347 O\n0.212111 0.212045 0.750027 O\n0.215322 0.211812 0.566517 O\n0.226339 0.230786 0.934040 O\n0.480270 0.370591 0.833855 O\n0.676475 0.486751 0.663571 O\n0.250503 0.330994 0.153121 O\n0.630733 0.527536 0.340078 O\n0.925739 0.670725 0.344668 O\n0.001634 0.210953 0.250047 O\n0.009079 0.222503 0.434049 O\n0.996743 0.784243 0.566115 O\n0.074322 0.326262 0.654702 O\n0.369194 0.473045 0.661048 O\n0.750142 0.673823 0.845021 O\n0.319949 0.507475 0.336509 O\n0.520874 0.627117 0.167018 O\n0.772814 0.761929 0.065846 O\n0.789658 0.789528 0.432925 O\n0.789540 0.787102 0.249634 O\n0.672617 0.747835 0.654521 O\n0.189214 0.513782 0.834941 O\n0.104648 0.478967 0.167676 O\n0.486532 0.675167 0.835860 O\n0.332290 0.664292 0.985558 O\n0.309435 0.653572 0.485450 O\n0.480920 0.802514 0.340849 O\n0.103499 0.630130 0.661809 O\n0.181879 0.665482 0.331140 O\n0.672687 0.920143 0.151531 O\n0.788158 0.000516 0.749928 O\n0.771728 0.995088 0.933810 O\n0.526539 0.896142 0.660335 O\n0.325392 0.811455 0.836054 O\n0.368056 0.886676 0.161188 O\n0.072494 0.746923 0.158430 O\n0.005714 0.774564 0.933728 O\n0.999492 0.787718 0.749890 O\n0.251576 0.924710 0.654950 O\n0.207225 0.998873 0.432720 O\n0.214143 0.998874 0.250289 O\n",
            "nsites": 98,
            "nelements": 4,
            "elements": [
                "Li",
                "V",
                "P",
                "O"
            ],
            "chemical_system": "Li-O-P-V",
            "density": 2.667630370411244,
            "density_atomic": 0.08491059617916828,
            "volume": 1154.155127979693,
            "volume_molar": 7.092331264866863,
            "formula_full": "Li18 V6 P16 O58",
            "formula_reduced": "Li9V3P8O29",
            "formula_anonymous": "A3B8C9D29",
            "energy": -727.5022370800001,
            "energy_per_atom": -7.4234922151020415,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -677.45623708,
            "band_gap": 0.937,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.0001312,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:01.174000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-758734",
            "created_at": "2022-09-04T14:41:45.708161Z",
            "structure_string": "Li4 Cr4 Si2 O12\n1.0\n0.000000 4.184709 8.449565\n2.939536 0.000000 8.449565\n2.939536 4.184709 0.000000\nLi Cr Si O\n4 4 2 12\ndirect\n0.589839 0.589839 0.910161 Li\n0.910161 0.910161 0.589839 Li\n0.660161 0.660161 0.339839 Li\n0.339839 0.339839 0.660161 Li\n0.420610 0.420610 0.079390 Cr\n0.079390 0.079390 0.420610 Cr\n0.170610 0.170610 0.829390 Cr\n0.829390 0.829390 0.170610 Cr\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Si\n0.871854 0.286319 0.145163 O\n0.145163 0.696664 0.871854 O\n0.037857 0.462143 0.037857 O\n0.104837 0.553336 0.378146 O\n0.553336 0.104837 0.963681 O\n0.212143 0.787857 0.212143 O\n0.963681 0.378146 0.553336 O\n0.787857 0.212143 0.787857 O\n0.378146 0.963681 0.104837 O\n0.696664 0.145163 0.286319 O\n0.462143 0.037857 0.462143 O\n0.286319 0.871854 0.696664 O\n",
            "nsites": 22,
            "nelements": 4,
            "elements": [
                "Li",
                "Cr",
                "Si",
                "O"
            ],
            "chemical_system": "Cr-Li-O-Si",
            "density": 3.8655142232800785,
            "density_atomic": 0.10583133819507443,
            "volume": 207.8779346005087,
            "volume_molar": 5.690319013919717,
            "formula_full": "Li4 Cr4 Si2 O12",
            "formula_reduced": "Li2Cr2SiO6",
            "formula_anonymous": "AB2C2D6",
            "energy": -173.35274022000002,
            "energy_per_atom": -7.879670010000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -157.11274022,
            "band_gap": 2.4783,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.0001295,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:23.830000Z",
            "spacegroup": 70
        },
        {
            "id": "mp-1220880",
            "created_at": "2022-09-04T14:41:31.495856Z",
            "structure_string": "Ni4 H32 C16 N12 O24\n1.0\n-8.477272 -0.000004 0.000000\n0.000000 0.000000 -8.788383\n-0.000005 -11.920257 0.000000\nNi H C N O\n4 32 16 12 24\ndirect\n0.249056 0.250223 0.749216 Ni\n0.250942 0.249779 0.249215 Ni\n0.750943 0.750222 0.249215 Ni\n0.749056 0.749776 0.749217 Ni\n0.242549 0.329066 0.996747 H\n0.257451 0.170934 0.496747 H\n0.742549 0.670934 0.996747 H\n0.757451 0.829066 0.496747 H\n0.080160 0.749607 0.881941 H\n0.422068 0.758115 0.120640 H\n0.077932 0.741885 0.620640 H\n0.419840 0.750393 0.381940 H\n0.922068 0.241885 0.120640 H\n0.580160 0.250393 0.881941 H\n0.919840 0.249607 0.381941 H\n0.577932 0.258115 0.620640 H\n0.908960 0.072390 0.789356 H\n0.597585 0.071737 0.209706 H\n0.902415 0.428263 0.709706 H\n0.591041 0.427610 0.289356 H\n0.097585 0.928263 0.209706 H\n0.408960 0.927610 0.789356 H\n0.091041 0.572390 0.289356 H\n0.402415 0.571738 0.709706 H\n0.174434 0.929549 0.914278 H\n0.328227 0.935242 0.083483 H\n0.171773 0.564758 0.583483 H\n0.325566 0.570451 0.414278 H\n0.828227 0.064758 0.083483 H\n0.674434 0.070451 0.914278 H\n0.825566 0.429549 0.414278 H\n0.671773 0.435242 0.583483 H\n0.331059 0.540520 0.050001 H\n0.168942 0.959479 0.550001 H\n0.831058 0.459480 0.050001 H\n0.668942 0.040521 0.550001 H\n0.979862 0.014823 0.723754 C\n0.522543 0.016542 0.274475 C\n0.977458 0.483458 0.774475 C\n0.520137 0.485177 0.223754 C\n0.022543 0.983458 0.274475 C\n0.479863 0.985177 0.723754 C\n0.020137 0.514823 0.223754 C\n0.477458 0.516542 0.774475 C\n0.248090 0.203758 0.998103 C\n0.251910 0.296243 0.498103 C\n0.748090 0.796242 0.998103 C\n0.751910 0.703758 0.498103 C\n0.249460 0.743305 0.002118 C\n0.250540 0.756696 0.502118 C\n0.749460 0.256695 0.002118 C\n0.750540 0.243305 0.502118 C\n0.232564 0.590514 0.013582 N\n0.267434 0.909485 0.513582 N\n0.732565 0.409485 0.013582 N\n0.767435 0.090515 0.513582 N\n0.159521 0.814298 0.926908 N\n0.345321 0.819783 0.071602 N\n0.154679 0.680218 0.571602 N\n0.340479 0.685703 0.426909 N\n0.845321 0.180217 0.071602 N\n0.659521 0.185703 0.926908 N\n0.840480 0.314297 0.426908 N\n0.654679 0.319783 0.571602 N\n0.937741 0.882827 0.692484 O\n0.563235 0.884360 0.307326 O\n0.936764 0.615640 0.807325 O\n0.562260 0.617173 0.192484 O\n0.063236 0.115640 0.307326 O\n0.437740 0.117173 0.692484 O\n0.062260 0.382827 0.192485 O\n0.436764 0.384360 0.807325 O\n0.243309 0.133947 0.904497 O\n0.257508 0.136268 0.092487 O\n0.242492 0.363732 0.592486 O\n0.256691 0.366053 0.404498 O\n0.757508 0.863732 0.092487 O\n0.743310 0.866053 0.904497 O\n0.756690 0.633947 0.404498 O\n0.742492 0.636268 0.592487 O\n0.099344 0.083403 0.684522 O\n0.403005 0.087048 0.310073 O\n0.096995 0.412951 0.810072 O\n0.400656 0.416596 0.184523 O\n0.903005 0.912951 0.310073 O\n0.599344 0.916597 0.684522 O\n0.900656 0.583404 0.184523 O\n0.596995 0.587049 0.810072 O\n",
            "nsites": 88,
            "nelements": 5,
            "elements": [
                "Ni",
                "H",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "C-H-N-Ni-O",
            "density": 1.8908771346520687,
            "density_atomic": 0.09909048632673108,
            "volume": 888.0771834123166,
            "volume_molar": 6.077415686651485,
            "formula_full": "Ni4 H32 C16 N12 O24",
            "formula_reduced": "NiH8C4(NO2)3",
            "formula_anonymous": "AB3C4D6E8",
            "energy": -570.49498038,
            "energy_per_atom": -6.482897504318182,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -539.51098038,
            "band_gap": 0.5109,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 12.0001289,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:23.877000Z",
            "spacegroup": 33
        },
        {
            "id": "mp-560553",
            "created_at": "2022-09-04T14:41:08.449160Z",
            "structure_string": "Ir4 F24\n1.0\n5.134388 0.000000 0.000000\n0.000000 8.856504 0.000000\n0.000000 0.000000 9.749503\nIr F\n4 24\ndirect\n0.594128 0.250000 0.873063 Ir\n0.905872 0.250000 0.373063 Ir\n0.405872 0.750000 0.126937 Ir\n0.094128 0.750000 0.626937 Ir\n0.249670 0.600223 0.518256 F\n0.250330 0.899777 0.018256 F\n0.938992 0.899568 0.735834 F\n0.197546 0.250000 0.488899 F\n0.749670 0.100223 0.981744 F\n0.561008 0.899568 0.235834 F\n0.302454 0.250000 0.988899 F\n0.249670 0.899777 0.518256 F\n0.750330 0.399777 0.481744 F\n0.438992 0.399568 0.764166 F\n0.749670 0.399777 0.981744 F\n0.802454 0.750000 0.511101 F\n0.697546 0.750000 0.011101 F\n0.250330 0.600223 0.018256 F\n0.438992 0.100432 0.764166 F\n0.061008 0.399568 0.264166 F\n0.613390 0.250000 0.257688 F\n0.561008 0.600432 0.235834 F\n0.886610 0.250000 0.757688 F\n0.113390 0.750000 0.242312 F\n0.061008 0.100432 0.264166 F\n0.938992 0.600432 0.735834 F\n0.386610 0.750000 0.742312 F\n0.750330 0.100223 0.481744 F\n",
            "nsites": 28,
            "nelements": 2,
            "elements": [
                "Ir",
                "F"
            ],
            "chemical_system": "F-Ir",
            "density": 4.587660938059625,
            "density_atomic": 0.06315744408451399,
            "volume": 443.33649668488584,
            "volume_molar": 9.535124239577343,
            "formula_full": "Ir4 F24",
            "formula_reduced": "IrF6",
            "formula_anonymous": "AB6",
            "energy": -132.39210278,
            "energy_per_atom": -4.728289384999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -121.30410278,
            "band_gap": 0.7714000000000003,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.0001254,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:09.030000Z",
            "spacegroup": 62
        }
    ]
}