GET /third-parties/MatprojStructure/?format=api&ordering=-density&page=11562
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=-density&page=11563",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=11561",
    "results": [
        {
            "id": "mp-1196395",
            "created_at": "2022-09-04T14:44:41.728817Z",
            "structure_string": "Co4 H72 S8 Br4 N24 O16\n1.0\n7.355510 0.000000 0.000000\n0.000000 13.072171 0.000000\n0.000000 0.000000 13.691772\nCo H S Br N O\n4 72 8 4 24 16\ndirect\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.309358 0.553746 0.064116 H\n0.309358 0.446254 0.935884 H\n0.690642 0.053746 0.435884 H\n0.690642 0.946254 0.564116 H\n0.690642 0.446254 0.935884 H\n0.690642 0.553746 0.064116 H\n0.309358 0.946254 0.564116 H\n0.309358 0.053746 0.435884 H\n0.151989 0.594259 0.140750 H\n0.151989 0.405741 0.859250 H\n0.848011 0.094259 0.359250 H\n0.848011 0.905741 0.640750 H\n0.848011 0.405741 0.859250 H\n0.848011 0.594259 0.140750 H\n0.151989 0.905741 0.640750 H\n0.151989 0.094259 0.359250 H\n0.216777 0.473715 0.145375 H\n0.216777 0.526285 0.854625 H\n0.783223 0.973715 0.354625 H\n0.783223 0.026285 0.645375 H\n0.783223 0.526285 0.854625 H\n0.783223 0.473715 0.145375 H\n0.216777 0.026285 0.645375 H\n0.216777 0.973715 0.354625 H\n0.250402 0.965569 0.875111 H\n0.250402 0.034431 0.124889 H\n0.749598 0.465569 0.624889 H\n0.749598 0.534431 0.375111 H\n0.749598 0.034431 0.124889 H\n0.749598 0.965569 0.875111 H\n0.250402 0.534431 0.375111 H\n0.250402 0.465569 0.624889 H\n0.355411 0.856584 0.900296 H\n0.355411 0.143416 0.099704 H\n0.644589 0.356584 0.599704 H\n0.644589 0.643416 0.400296 H\n0.644589 0.143416 0.099704 H\n0.644589 0.856584 0.900296 H\n0.355411 0.643416 0.400296 H\n0.355411 0.356584 0.599704 H\n0.203253 0.902907 0.978117 H\n0.203253 0.097093 0.021883 H\n0.796747 0.402907 0.521883 H\n0.796747 0.597093 0.478117 H\n0.796747 0.097093 0.021883 H\n0.796747 0.902907 0.978117 H\n0.203253 0.597093 0.478117 H\n0.203253 0.402907 0.521883 H\n0.387315 0.892489 0.144799 H\n0.387315 0.107511 0.855201 H\n0.612685 0.392489 0.355201 H\n0.612685 0.607511 0.644799 H\n0.612685 0.107511 0.855201 H\n0.612685 0.892489 0.144799 H\n0.387315 0.607511 0.644799 H\n0.387315 0.392489 0.355201 H\n0.500000 0.818955 0.067302 H\n0.500000 0.181045 0.932698 H\n0.500000 0.318955 0.432698 H\n0.500000 0.681045 0.567302 H\n0.000000 0.696364 0.019606 H\n0.000000 0.303636 0.980394 H\n0.000000 0.196364 0.480394 H\n0.000000 0.803636 0.519606 H\n0.113003 0.665101 0.920990 H\n0.113003 0.334899 0.079010 H\n0.886997 0.165101 0.579010 H\n0.886997 0.834899 0.420990 H\n0.886997 0.334899 0.079010 H\n0.886997 0.665101 0.920990 H\n0.113003 0.834899 0.420990 H\n0.113003 0.165101 0.579010 H\n0.000000 0.864263 0.178325 S\n0.000000 0.135737 0.821675 S\n0.000000 0.364263 0.321675 S\n0.000000 0.635737 0.678325 S\n0.000000 0.722249 0.239316 S\n0.000000 0.277751 0.760684 S\n0.000000 0.222249 0.260684 S\n0.000000 0.777751 0.739316 S\n0.500000 0.827798 0.445034 Br\n0.500000 0.172202 0.554966 Br\n0.500000 0.327798 0.054966 Br\n0.500000 0.672202 0.945034 Br\n0.189684 0.532746 0.097710 N\n0.189684 0.467254 0.902290 N\n0.810316 0.032746 0.402290 N\n0.810316 0.967254 0.597710 N\n0.810316 0.467254 0.902290 N\n0.810316 0.532746 0.097710 N\n0.189684 0.967254 0.597710 N\n0.189684 0.032746 0.402290 N\n0.000000 0.646117 0.961628 N\n0.000000 0.353883 0.038372 N\n0.000000 0.146117 0.538372 N\n0.000000 0.853883 0.461628 N\n0.500000 0.890286 0.099821 N\n0.500000 0.109714 0.900179 N\n0.500000 0.390286 0.400179 N\n0.500000 0.609714 0.599821 N\n0.306516 0.923145 0.930889 N\n0.306516 0.076855 0.069111 N\n0.693484 0.423145 0.569111 N\n0.693484 0.576855 0.430889 N\n0.693484 0.076855 0.069111 N\n0.693484 0.923145 0.930889 N\n0.306516 0.576855 0.430889 N\n0.306516 0.423145 0.569111 N\n0.000000 0.855257 0.069694 O\n0.000000 0.144743 0.930306 O\n0.000000 0.355257 0.430306 O\n0.000000 0.644743 0.569694 O\n0.165802 0.918503 0.212833 O\n0.165802 0.081497 0.787167 O\n0.834198 0.418503 0.287167 O\n0.834198 0.581497 0.712833 O\n0.834198 0.081497 0.787167 O\n0.834198 0.918503 0.212833 O\n0.165802 0.581497 0.712833 O\n0.165802 0.418503 0.287167 O\n0.500000 0.680028 0.247087 O\n0.500000 0.319972 0.752913 O\n0.500000 0.180028 0.252913 O\n0.500000 0.819972 0.747087 O\n",
            "nsites": 128,
            "nelements": 6,
            "elements": [
                "Co",
                "H",
                "S",
                "Br",
                "N",
                "O"
            ],
            "chemical_system": "Br-Co-H-N-O-S",
            "density": 1.8624702294114572,
            "density_atomic": 0.097227652599485,
            "volume": 1316.4978951747107,
            "volume_molar": 6.193855964832682,
            "formula_full": "Co4 H72 S8 Br4 N24 O16",
            "formula_reduced": "CoH18S2Br(N3O2)2",
            "formula_anonymous": "ABC2D4E6F18",
            "energy": -668.4320106900001,
            "energy_per_atom": -5.222125083515626,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -640.08801069,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.4005781,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:39.734000Z",
            "spacegroup": 55
        },
        {
            "id": "mp-1222915",
            "created_at": "2022-09-04T14:44:07.865695Z",
            "structure_string": "Li6 Rh2 N12 O32\n1.0\n11.914836 0.000000 0.000000\n0.000000 7.063618 0.000000\n0.000000 0.017042 9.826677\nLi Rh N O\n6 2 12 32\ndirect\n0.693597 0.573527 0.995152 Li\n0.306403 0.426473 0.004848 Li\n0.806403 0.573527 0.495152 Li\n0.193597 0.426473 0.504848 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.146514 0.162237 0.999901 N\n0.853486 0.837763 0.000099 N\n0.353486 0.162237 0.499901 N\n0.646514 0.837763 0.500099 N\n0.925185 0.164103 0.155702 N\n0.074964 0.835640 0.156603 N\n0.574964 0.164360 0.343397 N\n0.425185 0.835897 0.344298 N\n0.074815 0.835897 0.844298 N\n0.925036 0.164360 0.843397 N\n0.425036 0.835640 0.656603 N\n0.574815 0.164103 0.655702 N\n0.882613 0.074749 0.250130 O\n0.118336 0.924188 0.249909 O\n0.618336 0.075812 0.250091 O\n0.382613 0.925251 0.249870 O\n0.117387 0.925251 0.749870 O\n0.881664 0.075812 0.750091 O\n0.381664 0.924188 0.749909 O\n0.617387 0.074749 0.750130 O\n0.661035 0.298526 0.999794 O\n0.338965 0.701474 0.000206 O\n0.838965 0.298526 0.499794 O\n0.161035 0.701474 0.500206 O\n0.927381 0.339415 0.149704 O\n0.071800 0.659678 0.150350 O\n0.571800 0.340322 0.349650 O\n0.427381 0.660585 0.350296 O\n0.072619 0.660585 0.850296 O\n0.928200 0.340322 0.849650 O\n0.428200 0.659678 0.650350 O\n0.572619 0.339415 0.649704 O\n0.144023 0.341446 0.999239 O\n0.855977 0.658554 0.000761 O\n0.355977 0.341446 0.499239 O\n0.644023 0.658554 0.500761 O\n0.237756 0.080349 0.000864 O\n0.762244 0.919651 0.999136 O\n0.262244 0.080349 0.500864 O\n0.737756 0.919651 0.499136 O\n0.635185 0.642129 0.173160 O\n0.135185 0.357871 0.326840 O\n0.364815 0.357871 0.826840 O\n0.864815 0.642129 0.673160 O\n",
            "nsites": 52,
            "nelements": 4,
            "elements": [
                "Li",
                "Rh",
                "N",
                "O"
            ],
            "chemical_system": "Li-N-O-Rh",
            "density": 1.8622997415273717,
            "density_atomic": 0.06287549091786948,
            "volume": 827.0313160325779,
            "volume_molar": 9.577882688608131,
            "formula_full": "Li6 Rh2 N12 O32",
            "formula_reduced": "Li3Rh(N3O8)2",
            "formula_anonymous": "AB3C6D16",
            "energy": -315.5427884,
            "energy_per_atom": -6.068130546153847,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -293.5587884,
            "band_gap": 0.1975,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 15.9961712,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:34.664000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1205372",
            "created_at": "2022-09-04T14:47:05.466902Z",
            "structure_string": "V4 Cl16\n1.0\n6.817769 0.000000 0.000000\n0.000000 10.019393 0.000000\n0.000000 2.175469 10.064231\nV Cl\n4 16\ndirect\n0.075601 0.249071 0.635330 V\n0.575601 0.750929 0.864670 V\n0.924399 0.750929 0.364670 V\n0.424399 0.249071 0.135330 V\n0.372427 0.306687 0.581582 Cl\n0.872427 0.693313 0.918418 Cl\n0.627573 0.693313 0.418418 Cl\n0.127573 0.306687 0.081582 Cl\n0.929071 0.195450 0.469700 Cl\n0.429071 0.804550 0.030300 Cl\n0.070929 0.804550 0.530300 Cl\n0.570929 0.195450 0.969700 Cl\n0.924972 0.414574 0.694084 Cl\n0.424972 0.585426 0.805916 Cl\n0.075028 0.585426 0.305916 Cl\n0.575028 0.414574 0.194084 Cl\n0.073943 0.077571 0.799645 Cl\n0.573943 0.922429 0.700355 Cl\n0.926057 0.922429 0.200355 Cl\n0.426057 0.077571 0.299645 Cl\n",
            "nsites": 20,
            "nelements": 2,
            "elements": [
                "V",
                "Cl"
            ],
            "chemical_system": "Cl-V",
            "density": 1.8622889700665541,
            "density_atomic": 0.02909147257355085,
            "volume": 687.4866835783156,
            "volume_molar": 20.700707895670988,
            "formula_full": "V4 Cl16",
            "formula_reduced": "VCl4",
            "formula_anonymous": "AB4",
            "energy": -98.67560671,
            "energy_per_atom": -4.9337803355,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -88.85160671,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9994877,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:57.728000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-567221",
            "created_at": "2022-09-04T14:45:34.338108Z",
            "structure_string": "H20 C6 I2 N2\n1.0\n8.442870 0.000000 0.000000\n0.000000 5.619623 0.000000\n0.000000 1.767901 7.029878\nH C I N\n20 6 2 2\ndirect\n0.107390 0.693646 0.872793 H\n0.643279 0.826155 0.348009 H\n0.999929 0.531299 0.217949 H\n0.750000 0.586999 0.510646 H\n0.143279 0.173845 0.651991 H\n0.250000 0.310969 0.911021 H\n0.000071 0.468701 0.782051 H\n0.356721 0.173845 0.651991 H\n0.899189 0.282749 0.378842 H\n0.600811 0.282749 0.378842 H\n0.892610 0.306354 0.127207 H\n0.607390 0.306354 0.127207 H\n0.250000 0.413001 0.489354 H\n0.499929 0.468701 0.782051 H\n0.750000 0.689031 0.088979 H\n0.100811 0.717251 0.621158 H\n0.500071 0.531299 0.217949 H\n0.856721 0.826155 0.348009 H\n0.392610 0.693646 0.872793 H\n0.399189 0.717251 0.621158 H\n0.603627 0.409671 0.237398 C\n0.750000 0.711646 0.368336 C\n0.103627 0.590329 0.762602 C\n0.396373 0.590329 0.762602 C\n0.250000 0.288354 0.631664 C\n0.896373 0.409671 0.237398 C\n0.750000 0.035144 0.802549 I\n0.250000 0.964856 0.197451 I\n0.750000 0.562581 0.223581 N\n0.250000 0.437419 0.776419 N\n",
            "nsites": 30,
            "nelements": 4,
            "elements": [
                "H",
                "C",
                "I",
                "N"
            ],
            "chemical_system": "C-H-I-N",
            "density": 1.862208369918739,
            "density_atomic": 0.08994482539450657,
            "volume": 333.5378090781448,
            "volume_molar": 6.695372116835312,
            "formula_full": "H20 C6 I2 N2",
            "formula_reduced": "H10C3IN",
            "formula_anonymous": "ABC3D10",
            "energy": -150.9205227,
            "energy_per_atom": -5.030684089999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -149.4405227,
            "band_gap": 4.3218,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 6.4e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:08.765000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-732278",
            "created_at": "2022-09-04T14:43:35.806066Z",
            "structure_string": "C4 S4 N8\n1.0\n5.168011 0.000000 0.000000\n0.000000 6.236803 0.000000\n0.000000 0.000000 7.977826\nC S N\n4 4 8\ndirect\n0.980723 0.560050 0.000000 C\n0.019277 0.060050 0.000000 C\n0.519586 0.417180 0.500000 C\n0.480414 0.917180 0.500000 C\n0.782784 0.321580 0.000000 S\n0.217216 0.821580 0.000000 S\n0.719341 0.656275 0.500000 S\n0.280659 0.156275 0.500000 S\n0.058582 0.657605 0.142503 N\n0.058582 0.657605 0.857497 N\n0.941418 0.157605 0.857497 N\n0.941418 0.157605 0.142503 N\n0.440286 0.320046 0.357553 N\n0.440286 0.320046 0.642447 N\n0.559714 0.820046 0.642447 N\n0.559714 0.820046 0.357553 N\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "C",
                "S",
                "N"
            ],
            "chemical_system": "C-N-S",
            "density": 1.8621243395757496,
            "density_atomic": 0.062222859707903214,
            "volume": 257.14022266269717,
            "volume_molar": 9.678341349578153,
            "formula_full": "C4 S4 N8",
            "formula_reduced": "CSN2",
            "formula_anonymous": "ABC2",
            "energy": -107.44305674,
            "energy_per_atom": -6.71519104625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -104.55505674,
            "band_gap": 1.3832000000000002,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0007491,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:13.121000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-39536",
            "created_at": "2022-09-04T14:47:58.903859Z",
            "structure_string": "Ca1 C2 S2 O6 F6\n1.0\n10.603161 -2.883494 0.000000\n10.603161 2.883494 0.000000\n9.819005 0.000000 4.932415\nCa C S O F\n1 2 2 6 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.780105 0.780105 0.780105 C\n0.219895 0.219895 0.219895 C\n0.720515 0.720515 0.720515 S\n0.279485 0.279485 0.279485 S\n0.147161 0.574087 0.151377 O\n0.151377 0.147161 0.574087 O\n0.574087 0.151377 0.147161 O\n0.425913 0.848623 0.852839 O\n0.848623 0.852839 0.425913 O\n0.852839 0.425913 0.848623 O\n0.043641 0.625419 0.714884 F\n0.625419 0.714884 0.043641 F\n0.714884 0.043641 0.625419 F\n0.285116 0.956359 0.374581 F\n0.374581 0.285116 0.956359 F\n0.956359 0.374581 0.285116 F\n",
            "nsites": 17,
            "nelements": 5,
            "elements": [
                "Ca",
                "C",
                "S",
                "O",
                "F"
            ],
            "chemical_system": "C-Ca-F-O-S",
            "density": 1.8620850549129255,
            "density_atomic": 0.05636440255556625,
            "volume": 301.6088032378367,
            "volume_molar": 10.684298044431745,
            "formula_full": "Ca1 C2 S2 O6 F6",
            "formula_reduced": "CaC2S2(OF)6",
            "formula_anonymous": "AB2C2D6E6",
            "energy": -105.82288173,
            "energy_per_atom": -6.2248753958823535,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -98.92888173,
            "band_gap": 5.9997,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0002863,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:27.966000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-627206",
            "created_at": "2022-09-04T14:48:25.164604Z",
            "structure_string": "Si20 H20 O30\n1.0\n8.061236 0.000000 0.000000\n3.548118 9.618134 0.000000\n3.814258 0.004910 12.213419\nSi H O\n20 20 30\ndirect\n0.291186 0.182098 0.875701 Si\n0.300913 0.363526 0.642725 Si\n0.666499 0.927313 0.091761 Si\n0.664841 0.509168 0.415199 Si\n0.270308 0.905739 0.715932 Si\n0.847237 0.614295 0.825347 Si\n0.760304 0.124792 0.236107 Si\n0.022671 0.424571 0.191230 Si\n0.813049 0.993109 0.780900 Si\n0.611163 0.515754 0.697530 Si\n0.208290 0.005474 0.206989 Si\n0.430935 0.554248 0.290430 Si\n0.821912 0.232976 0.546375 Si\n0.541197 0.228094 0.942054 Si\n0.171660 0.802307 0.464222 Si\n0.407663 0.705764 0.049777 Si\n0.286901 0.137953 0.498459 Si\n0.921407 0.375156 0.037122 Si\n0.755317 0.825995 0.486303 Si\n0.098724 0.619801 0.987927 Si\n0.107856 0.056197 0.888879 H\n0.104323 0.593952 0.629680 H\n0.041867 0.073203 0.624867 H\n0.505937 0.314939 0.311658 H\n0.943788 0.367576 0.626014 H\n0.087672 0.837775 0.154738 H\n0.105640 0.695878 0.332472 H\n0.723520 0.243828 0.055066 H\n0.045935 0.852986 0.980886 H\n0.902796 0.591140 0.447365 H\n0.064146 0.338799 0.808657 H\n0.620886 0.731832 0.198704 H\n0.503563 0.944587 0.568596 H\n0.752197 0.407688 0.896756 H\n0.766942 0.836413 0.302794 H\n0.896688 0.679165 0.170915 H\n0.597582 0.172842 0.677074 H\n0.465468 0.467924 0.910501 H\n0.003372 0.974646 0.368040 H\n0.254248 0.559395 0.168484 H\n0.241234 0.033527 0.855363 O\n0.105737 0.516775 0.681719 O\n0.761409 0.017877 0.144633 O\n0.848325 0.475381 0.308192 O\n0.041865 0.989273 0.726375 O\n0.721073 0.589161 0.752886 O\n0.985222 0.092093 0.220345 O\n0.400582 0.403454 0.328995 O\n0.749628 0.123245 0.871288 O\n0.816478 0.370951 0.632255 O\n0.208471 0.850669 0.127355 O\n0.206882 0.660304 0.367949 O\n0.046572 0.126513 0.550882 O\n0.760363 0.297997 0.098365 O\n0.948600 0.815533 0.519884 O\n0.304815 0.641796 0.977989 O\n0.108610 0.242643 0.981754 O\n0.214748 0.291198 0.567685 O\n0.967756 0.796078 0.989573 O\n0.774623 0.646552 0.480635 O\n0.199654 0.292940 0.776735 O\n0.696947 0.791588 0.191383 O\n0.357058 0.010780 0.610238 O\n0.854594 0.436093 0.907566 O\n0.845064 0.845733 0.347023 O\n0.024217 0.604028 0.145649 O\n0.733134 0.134357 0.654683 O\n0.562706 0.386594 0.867997 O\n0.137626 0.933679 0.353410 O\n0.366281 0.581596 0.165142 O\n",
            "nsites": 70,
            "nelements": 3,
            "elements": [
                "Si",
                "H",
                "O"
            ],
            "chemical_system": "H-O-Si",
            "density": 1.8620137361946314,
            "density_atomic": 0.07392108358542329,
            "volume": 946.9558156450443,
            "volume_molar": 8.146716021878667,
            "formula_full": "Si20 H20 O30",
            "formula_reduced": "Si2H2O3",
            "formula_anonymous": "A2B2C3",
            "energy": -430.73588567,
            "energy_per_atom": -6.153369795285714,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -406.54588567,
            "band_gap": 1.5458000000000005,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0042699,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:17.600000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1220553",
            "created_at": "2022-09-04T14:47:10.903999Z",
            "structure_string": "Ni2 N11 Cl8\n1.0\n6.268399 0.000000 0.000000\n0.000000 8.326665 0.000000\n0.000000 0.000000 9.484395\nNi N Cl\n2 11 8\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.772697 0.000000 N\n0.500000 0.270936 0.500000 N\n0.500000 0.729064 0.500000 N\n0.000000 0.227303 0.000000 N\n0.500000 0.642342 0.000000 N\n0.000000 0.142841 0.500000 N\n0.000000 0.857159 0.500000 N\n0.500000 0.357658 0.000000 N\n0.500000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.260215 0.500000 0.669157 Cl\n0.735638 0.000000 0.162876 Cl\n0.264362 0.000000 0.837124 Cl\n0.739785 0.500000 0.330843 Cl\n0.739785 0.500000 0.669157 Cl\n0.264362 0.000000 0.162876 Cl\n0.735638 0.000000 0.837124 Cl\n0.260215 0.500000 0.330843 Cl\n",
            "nsites": 21,
            "nelements": 3,
            "elements": [
                "Ni",
                "N",
                "Cl"
            ],
            "chemical_system": "Cl-N-Ni",
            "density": 1.861962113689843,
            "density_atomic": 0.042421101073503026,
            "volume": 495.036655545864,
            "volume_molar": 14.19609724312775,
            "formula_full": "Ni2 N11 Cl8",
            "formula_reduced": "Ni2N11Cl8",
            "formula_anonymous": "A2B8C11",
            "energy": -96.24935215000002,
            "energy_per_atom": -4.583302483333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -91.33735215,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 13.3609509,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:54.617000Z",
            "spacegroup": 47
        },
        {
            "id": "mp-753690",
            "created_at": "2022-09-04T14:47:25.227979Z",
            "structure_string": "Li8 H6 Br2 O6\n1.0\n7.730563 0.000000 0.000000\n0.000000 5.540693 0.000000\n0.000000 0.464701 6.608364\nLi H Br O\n8 6 2 6\ndirect\n0.750000 0.922436 0.919097 Li\n0.478375 0.649217 0.132242 Li\n0.021625 0.649217 0.132242 Li\n0.750000 0.598098 0.693249 Li\n0.250000 0.401902 0.306751 Li\n0.978375 0.350783 0.867758 Li\n0.521625 0.350783 0.867758 Li\n0.250000 0.077564 0.080903 Li\n0.471548 0.798863 0.776470 H\n0.028452 0.798863 0.776470 H\n0.250000 0.824638 0.358978 H\n0.750000 0.175362 0.641022 H\n0.971548 0.201137 0.223530 H\n0.528452 0.201137 0.223530 H\n0.750000 0.827647 0.331639 Br\n0.250000 0.172353 0.668361 Br\n0.941974 0.706747 0.854626 O\n0.558026 0.706747 0.854626 O\n0.250000 0.753361 0.227221 O\n0.750000 0.246639 0.772779 O\n0.441974 0.293253 0.145374 O\n0.058026 0.293253 0.145374 O\n",
            "nsites": 22,
            "nelements": 4,
            "elements": [
                "Li",
                "H",
                "Br",
                "O"
            ],
            "chemical_system": "Br-H-Li-O",
            "density": 1.8619136688419682,
            "density_atomic": 0.07772370827522834,
            "volume": 283.05391608562394,
            "volume_molar": 7.748138751531162,
            "formula_full": "Li8 H6 Br2 O6",
            "formula_reduced": "Li4H3BrO3",
            "formula_anonymous": "AB3C3D4",
            "energy": -108.36357495,
            "energy_per_atom": -4.925617043181818,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -103.17357495,
            "band_gap": 4.4379,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0002343,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:04.067000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-696129",
            "created_at": "2022-09-04T14:47:07.867156Z",
            "structure_string": "Li20 Si2 P4 S24\n1.0\n8.770902 0.000000 0.000000\n0.000000 8.770902 0.000000\n0.000000 0.000000 12.618974\nLi Si P S\n20 2 4 24\ndirect\n0.230944 0.273468 0.295039 Li\n0.769056 0.726532 0.295039 Li\n0.273468 0.769056 0.795039 Li\n0.726532 0.230944 0.795039 Li\n0.230944 0.726532 0.295039 Li\n0.769056 0.273468 0.295039 Li\n0.273468 0.230944 0.795039 Li\n0.726532 0.769056 0.795039 Li\n0.000000 0.000000 0.939476 Li\n0.000000 0.000000 0.439476 Li\n0.500000 0.500000 0.548136 Li\n0.500000 0.500000 0.048136 Li\n0.257151 0.724935 0.036308 Li\n0.742849 0.275065 0.036308 Li\n0.275065 0.257151 0.536308 Li\n0.724935 0.742849 0.536308 Li\n0.275065 0.742849 0.536308 Li\n0.724935 0.257151 0.536308 Li\n0.257151 0.275065 0.036308 Li\n0.742849 0.724935 0.036308 Li\n0.500000 0.500000 0.801233 Si\n0.500000 0.500000 0.301233 Si\n0.000000 0.000000 0.685899 P\n0.000000 0.000000 0.185899 P\n0.000000 0.500000 0.503642 P\n0.500000 0.000000 0.003642 P\n0.000000 0.694721 0.411277 S\n0.000000 0.305279 0.411277 S\n0.305279 0.000000 0.911277 S\n0.694721 0.000000 0.911277 S\n0.500000 0.190299 0.097156 S\n0.500000 0.809701 0.097156 S\n0.190299 0.500000 0.597156 S\n0.809701 0.500000 0.597156 S\n0.000000 0.803955 0.093959 S\n0.000000 0.196045 0.093959 S\n0.196045 0.000000 0.593959 S\n0.803955 0.000000 0.593959 S\n0.500000 0.298548 0.399741 S\n0.500000 0.701452 0.399741 S\n0.298548 0.500000 0.899741 S\n0.701452 0.500000 0.899741 S\n0.000000 0.192650 0.777359 S\n0.000000 0.807350 0.777359 S\n0.807350 0.000000 0.277359 S\n0.192650 0.000000 0.277359 S\n0.500000 0.698863 0.702227 S\n0.500000 0.301137 0.702227 S\n0.698863 0.500000 0.202227 S\n0.301137 0.500000 0.202227 S\n",
            "nsites": 50,
            "nelements": 4,
            "elements": [
                "Li",
                "Si",
                "P",
                "S"
            ],
            "chemical_system": "Li-P-S-Si",
            "density": 1.861844652323691,
            "density_atomic": 0.05150595472335831,
            "volume": 970.7615414286195,
            "volume_molar": 11.692125293755437,
            "formula_full": "Li20 Si2 P4 S24",
            "formula_reduced": "Li10Si(PS6)2",
            "formula_anonymous": "AB2C10D12",
            "energy": -231.91438247,
            "energy_per_atom": -4.6382876494,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -219.84238247,
            "band_gap": 2.3831,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:56.015000Z",
            "spacegroup": 105
        },
        {
            "id": "mp-1201137",
            "created_at": "2022-09-04T14:46:04.643377Z",
            "structure_string": "Cr4 P4 O40\n1.0\n3.901046 4.617364 0.000000\n-3.901046 4.617364 0.000000\n0.000000 1.781069 24.060575\nCr P O\n4 4 40\ndirect\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.809183 0.190817 0.750000 Cr\n0.190817 0.809183 0.250000 Cr\n0.582726 0.698781 0.615808 P\n0.301219 0.417274 0.884192 P\n0.417274 0.301219 0.384192 P\n0.698781 0.582726 0.115808 P\n0.204080 0.163895 0.520806 O\n0.836105 0.795920 0.979194 O\n0.795920 0.836105 0.479194 O\n0.163895 0.204080 0.020806 O\n0.873887 0.084458 0.567669 O\n0.915542 0.126113 0.932331 O\n0.126113 0.915542 0.432331 O\n0.084458 0.873887 0.067669 O\n0.909944 0.259713 0.460085 O\n0.740287 0.090056 0.039915 O\n0.090056 0.740287 0.539915 O\n0.259713 0.909944 0.960085 O\n0.821628 0.435981 0.777233 O\n0.564019 0.178372 0.722767 O\n0.178372 0.564019 0.222767 O\n0.435981 0.821628 0.277233 O\n0.196567 0.714789 0.733088 O\n0.285211 0.803433 0.766912 O\n0.803433 0.285211 0.266912 O\n0.714789 0.196567 0.233088 O\n0.020191 0.164002 0.702343 O\n0.835998 0.979809 0.797657 O\n0.979809 0.835998 0.297657 O\n0.164002 0.020191 0.202343 O\n0.456920 0.564920 0.660211 O\n0.435080 0.543080 0.839789 O\n0.543080 0.435080 0.339789 O\n0.564920 0.456920 0.160211 O\n0.582518 0.584697 0.560284 O\n0.415303 0.417482 0.939716 O\n0.417482 0.415303 0.439716 O\n0.584697 0.582518 0.060284 O\n0.823836 0.680145 0.636179 O\n0.319855 0.176164 0.863821 O\n0.176164 0.319855 0.363821 O\n0.680145 0.823836 0.136179 O\n0.475446 0.947422 0.608871 O\n0.052578 0.524554 0.891129 O\n0.524554 0.052578 0.391129 O\n0.947422 0.475446 0.108871 O\n",
            "nsites": 48,
            "nelements": 3,
            "elements": [
                "Cr",
                "P",
                "O"
            ],
            "chemical_system": "Cr-O-P",
            "density": 1.8618281376297137,
            "density_atomic": 0.05537708049574623,
            "volume": 866.7845897670085,
            "volume_molar": 10.874789183699543,
            "formula_full": "Cr4 P4 O40",
            "formula_reduced": "CrPO10",
            "formula_anonymous": "ABC10",
            "energy": -274.06708948,
            "energy_per_atom": -5.709731030833333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -259.63108948,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 30.5980342,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:20.803000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-644281",
            "created_at": "2022-09-04T14:40:22.147646Z",
            "structure_string": "Mg7 Ti1 H16\n1.0\n0.000000 4.708834 4.708834\n4.708834 0.000000 4.708834\n4.708834 4.708834 0.000000\nMg Ti H\n7 1 16\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.000000 Ti\n0.880556 0.880556 0.358333 H\n0.880556 0.358333 0.880556 H\n0.358333 0.880556 0.880556 H\n0.880556 0.880556 0.880556 H\n0.119444 0.119444 0.641667 H\n0.119444 0.641667 0.119444 H\n0.641667 0.119444 0.119444 H\n0.119444 0.119444 0.119444 H\n0.627823 0.627823 0.116531 H\n0.627823 0.116531 0.627823 H\n0.116531 0.627823 0.627823 H\n0.627823 0.627823 0.627823 H\n0.372177 0.372177 0.883469 H\n0.372177 0.883469 0.372177 H\n0.883469 0.372177 0.372177 H\n0.372177 0.372177 0.372177 H\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Mg",
                "Ti",
                "H"
            ],
            "chemical_system": "H-Mg-Ti",
            "density": 1.8618052236216804,
            "density_atomic": 0.11493203708410732,
            "volume": 208.81906045428212,
            "volume_molar": 5.239740730944319,
            "formula_full": "Mg7 Ti1 H16",
            "formula_reduced": "Mg7TiH16",
            "formula_anonymous": "AB7C16",
            "energy": -79.27932696,
            "energy_per_atom": -3.3033052900000004,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -76.41532696,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.822944,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:54.753000Z",
            "spacegroup": 225
        }
    ]
}