GET /third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=43
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_above_hull&page=44",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=42",
    "results": [
        {
            "id": "mp-736581",
            "created_at": "2022-09-04T14:39:06.819579Z",
            "structure_string": "Zn16 P12 H40 C8 N4 O52\n1.0\n15.414000 0.000000 0.000000\n0.000000 5.348988 0.000000\n0.000000 4.616775 17.673588\nZn P H C N O\n16 12 40 8 4 52\ndirect\n0.902992 0.742092 0.958775 Zn\n0.597008 0.742092 0.458775 Zn\n0.097008 0.257908 0.041225 Zn\n0.402992 0.257908 0.541225 Zn\n0.757409 0.933749 0.682281 Zn\n0.742591 0.933749 0.182281 Zn\n0.242591 0.066251 0.317719 Zn\n0.257409 0.066251 0.817719 Zn\n0.599013 0.799898 0.990126 Zn\n0.900987 0.799898 0.490126 Zn\n0.400987 0.200102 0.009874 Zn\n0.099013 0.200102 0.509874 Zn\n0.729832 0.342143 0.949123 Zn\n0.770168 0.342143 0.449123 Zn\n0.270168 0.657857 0.050877 Zn\n0.229832 0.657857 0.550877 Zn\n0.741014 0.918857 0.858035 P\n0.758986 0.918857 0.358035 P\n0.258986 0.081143 0.141965 P\n0.241014 0.081143 0.641965 P\n0.113731 0.833754 0.942354 P\n0.386269 0.833754 0.442354 P\n0.886269 0.166246 0.057646 P\n0.613731 0.166246 0.557646 P\n0.910799 0.194765 0.583737 P\n0.589201 0.194765 0.083737 P\n0.089201 0.805235 0.416263 P\n0.410799 0.805235 0.916263 P\n0.529492 0.187593 0.691007 H\n0.970508 0.187593 0.191007 H\n0.470508 0.812407 0.308993 H\n0.029492 0.812407 0.808993 H\n0.589175 0.092166 0.769542 H\n0.910825 0.092166 0.269542 H\n0.410825 0.907834 0.230458 H\n0.089175 0.907834 0.730458 H\n0.478998 0.084268 0.776468 H\n0.021002 0.084268 0.276468 H\n0.521002 0.915732 0.223532 H\n0.978998 0.915732 0.723532 H\n0.721898 0.477521 0.640266 H\n0.778102 0.477521 0.140266 H\n0.278102 0.522479 0.359734 H\n0.221898 0.522479 0.859734 H\n0.766026 0.439347 0.720109 H\n0.733974 0.439347 0.220109 H\n0.233974 0.560653 0.279891 H\n0.266026 0.560653 0.779891 H\n0.589573 0.550429 0.741639 H\n0.910427 0.550429 0.241639 H\n0.410427 0.449571 0.258361 H\n0.089573 0.449571 0.758361 H\n0.516943 0.443509 0.817479 H\n0.983057 0.443509 0.317479 H\n0.483057 0.556491 0.182521 H\n0.016943 0.556491 0.682521 H\n0.426793 0.761869 0.727088 H\n0.073207 0.761869 0.227088 H\n0.573207 0.238131 0.272912 H\n0.926793 0.238131 0.772912 H\n0.472639 0.668447 0.648879 H\n0.027361 0.668447 0.148879 H\n0.527361 0.331553 0.351121 H\n0.972639 0.331553 0.851121 H\n0.398485 0.465188 0.708770 H\n0.101515 0.465188 0.208770 H\n0.601515 0.534812 0.291230 H\n0.898485 0.534812 0.791230 H\n0.526633 0.457914 0.757159 C\n0.973367 0.457914 0.257159 C\n0.473367 0.542086 0.242841 C\n0.026633 0.542086 0.742841 C\n0.452880 0.598145 0.708142 C\n0.047120 0.598145 0.208142 C\n0.547120 0.401855 0.291858 C\n0.952880 0.401855 0.791858 C\n0.531885 0.185771 0.748000 N\n0.968115 0.185771 0.248000 N\n0.468115 0.814229 0.252000 N\n0.031885 0.814229 0.752000 N\n0.839081 0.868103 0.864020 O\n0.660919 0.868103 0.364020 O\n0.160919 0.131897 0.135980 O\n0.339081 0.131897 0.635980 O\n0.022320 0.755367 0.922051 O\n0.477680 0.755367 0.422051 O\n0.977680 0.244633 0.077949 O\n0.522320 0.244633 0.577949 O\n0.117960 0.104647 0.956823 O\n0.382040 0.104647 0.456823 O\n0.882040 0.895353 0.043177 O\n0.617960 0.895353 0.543177 O\n0.147930 0.624755 0.014409 O\n0.352070 0.624755 0.514409 O\n0.852070 0.375245 0.985591 O\n0.647930 0.375245 0.485591 O\n0.704477 0.887772 0.782061 O\n0.795523 0.887772 0.282061 O\n0.295523 0.112228 0.217939 O\n0.204477 0.112228 0.717939 O\n0.876617 0.053995 0.663800 O\n0.623383 0.053995 0.163800 O\n0.123383 0.946005 0.336200 O\n0.376617 0.946005 0.836200 O\n0.173826 0.818603 0.875353 O\n0.326174 0.818603 0.375353 O\n0.826174 0.181397 0.124647 O\n0.673826 0.181397 0.624647 O\n0.003511 0.093749 0.578843 O\n0.496489 0.093749 0.078843 O\n0.996489 0.906251 0.421157 O\n0.503511 0.906251 0.921157 O\n0.852806 0.108672 0.521692 O\n0.647194 0.108672 0.021692 O\n0.147194 0.891328 0.478308 O\n0.352806 0.891328 0.978308 O\n0.904677 0.487803 0.570745 O\n0.595323 0.487803 0.070745 O\n0.095323 0.512197 0.429255 O\n0.404677 0.512197 0.929255 O\n0.694754 0.712384 0.925027 O\n0.805246 0.712384 0.425027 O\n0.305246 0.287616 0.074973 O\n0.194754 0.287616 0.574973 O\n0.716110 0.192567 0.864219 O\n0.783890 0.192567 0.364219 O\n0.283890 0.807433 0.135781 O\n0.216110 0.807433 0.635781 O\n0.755663 0.566612 0.672151 O\n0.744337 0.566612 0.172151 O\n0.244337 0.433388 0.327849 O\n0.255663 0.433388 0.827849 O\n",
            "nsites": 132,
            "nelements": 6,
            "elements": [
                "Zn",
                "P",
                "H",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "C-H-N-O-P-Zn",
            "density": 2.7835223561275266,
            "density_atomic": 0.09058623847774812,
            "volume": 1457.1749773275428,
            "volume_molar": 6.647964261678994,
            "formula_full": "Zn16 P12 H40 C8 N4 O52",
            "formula_reduced": "Zn4P3H10C2NO13",
            "formula_anonymous": "AB2C3D4E10F13",
            "energy": -796.70985267,
            "energy_per_atom": -6.035680702045455,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -759.54185267,
            "band_gap": 3.8981,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0952516,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:29.287000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-18946",
            "created_at": "2022-09-04T14:39:06.821395Z",
            "structure_string": "V2 B2 O6\n1.0\n4.272359 0.010120 3.675499\n1.692512 3.922826 3.675499\n0.015349 0.010120 5.635789\nV B O\n2 2 6\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.750000 0.750000 0.750000 B\n0.250000 0.250000 0.250000 B\n0.454010 0.045990 0.750000 O\n0.750000 0.454010 0.045990 O\n0.954010 0.250000 0.545990 O\n0.545990 0.954010 0.250000 O\n0.250000 0.545990 0.954010 O\n0.045990 0.750000 0.454010 O\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "V",
                "B",
                "O"
            ],
            "chemical_system": "B-O-V",
            "density": 3.875868590160415,
            "density_atomic": 0.1063365710891818,
            "volume": 94.04102368143178,
            "volume_molar": 5.663282818240756,
            "formula_full": "V2 B2 O6",
            "formula_reduced": "VBO3",
            "formula_anonymous": "ABC3",
            "energy": -88.48075437,
            "energy_per_atom": -8.848075437,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -80.95875437000001,
            "band_gap": 1.6396000000000002,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0011285,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:43.586000Z",
            "spacegroup": 167
        },
        {
            "id": "mp-560660",
            "created_at": "2022-09-04T14:39:06.831610Z",
            "structure_string": "Ba8 Eu8 Zn6 Pt2 O30\n1.0\n5.911033 -10.238210 0.000000\n5.911033 10.238210 0.000000\n0.000000 0.000000 6.852625\nBa Eu Zn Pt O\n8 8 6 2 30\ndirect\n0.333333 0.666667 0.332139 Ba\n0.340400 0.170200 0.161444 Ba\n0.829800 0.170200 0.161444 Ba\n0.170200 0.829800 0.661444 Ba\n0.659600 0.829800 0.661444 Ba\n0.666667 0.333333 0.832139 Ba\n0.170200 0.340400 0.661444 Ba\n0.829800 0.659600 0.161444 Ba\n0.480202 0.519798 0.005869 Eu\n0.000000 0.000000 0.841419 Eu\n0.519798 0.480202 0.505869 Eu\n0.480202 0.960403 0.005869 Eu\n0.039597 0.519798 0.005869 Eu\n0.000000 0.000000 0.341419 Eu\n0.960403 0.480202 0.505869 Eu\n0.519798 0.039597 0.505869 Eu\n0.172054 0.344108 0.174546 Zn\n0.172054 0.827946 0.174546 Zn\n0.827946 0.655892 0.674546 Zn\n0.827946 0.172054 0.674546 Zn\n0.655892 0.827946 0.174546 Zn\n0.344108 0.172054 0.674546 Zn\n0.666667 0.333333 0.316626 Pt\n0.333333 0.666667 0.816626 Pt\n0.942285 0.337673 0.802890 O\n0.168115 0.084058 0.572823 O\n0.415131 0.830262 0.655785 O\n0.251673 0.748327 0.987509 O\n0.604612 0.662327 0.302890 O\n0.337673 0.942285 0.302890 O\n0.337673 0.395388 0.302890 O\n0.584869 0.169738 0.155785 O\n0.915942 0.084058 0.572823 O\n0.748327 0.496654 0.487509 O\n0.084058 0.915942 0.072823 O\n0.503346 0.251673 0.487509 O\n0.415131 0.584869 0.655785 O\n0.395388 0.057715 0.802890 O\n0.584869 0.415131 0.155785 O\n0.604612 0.942285 0.302890 O\n0.057715 0.662327 0.302890 O\n0.662327 0.057715 0.802890 O\n0.395388 0.337673 0.802890 O\n0.496654 0.748327 0.987509 O\n0.084058 0.168115 0.072823 O\n0.169738 0.584869 0.655785 O\n0.915942 0.831885 0.572823 O\n0.831885 0.915942 0.072823 O\n0.830262 0.415131 0.155785 O\n0.251673 0.503346 0.987509 O\n0.942285 0.604612 0.802890 O\n0.748327 0.251673 0.487509 O\n0.057715 0.395388 0.302890 O\n0.662327 0.604612 0.802890 O\n",
            "nsites": 54,
            "nelements": 5,
            "elements": [
                "Ba",
                "Eu",
                "Zn",
                "Pt",
                "O"
            ],
            "chemical_system": "Ba-Eu-O-Pt-Zn",
            "density": 7.16119339178485,
            "density_atomic": 0.06510575515581314,
            "volume": 829.4197628268884,
            "volume_molar": 9.249782520128402,
            "formula_full": "Ba8 Eu8 Zn6 Pt2 O30",
            "formula_reduced": "Ba4Eu4Zn3PtO15",
            "formula_anonymous": "AB3C4D4E15",
            "energy": -399.51620833,
            "energy_per_atom": -7.398448302407407,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -378.90620833,
            "band_gap": 0.0611999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 34.5739374,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:40.587000Z",
            "spacegroup": 186
        },
        {
            "id": "mp-760921",
            "created_at": "2022-09-04T14:39:06.851134Z",
            "structure_string": "Co8 O4 F12\n1.0\n3.262369 -3.432344 0.000000\n3.262369 3.432344 0.000000\n0.000000 0.000000 12.236696\nCo O F\n8 4 12\ndirect\n0.959764 0.959764 0.000000 Co\n0.022558 0.022558 0.249469 Co\n0.024170 0.024170 0.500000 Co\n0.022558 0.022558 0.750531 Co\n0.492269 0.492269 0.124877 Co\n0.488736 0.488736 0.625564 Co\n0.488736 0.488736 0.374436 Co\n0.492269 0.492269 0.875123 Co\n0.318547 0.318547 0.248494 O\n0.318547 0.318547 0.751506 O\n0.316533 0.316533 0.500000 O\n0.663394 0.663394 0.000000 O\n0.789808 0.193668 0.125298 F\n0.812991 0.204424 0.621839 F\n0.812991 0.204424 0.378161 F\n0.789808 0.193668 0.874702 F\n0.277676 0.277676 0.000000 F\n0.706166 0.706166 0.251479 F\n0.700126 0.700126 0.500000 F\n0.706166 0.706166 0.748521 F\n0.193668 0.789808 0.125298 F\n0.204424 0.812991 0.621839 F\n0.204424 0.812991 0.378161 F\n0.193668 0.789808 0.874702 F\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Co",
                "O",
                "F"
            ],
            "chemical_system": "Co-F-O",
            "density": 4.6260276790462465,
            "density_atomic": 0.08757762951326363,
            "volume": 274.0425852285166,
            "volume_molar": 6.876345927001765,
            "formula_full": "Co8 O4 F12",
            "formula_reduced": "Co2OF3",
            "formula_anonymous": "AB2C3",
            "energy": -138.40047687,
            "energy_per_atom": -5.76668653625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -117.00447687,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.5887572,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:38.043000Z",
            "spacegroup": 38
        },
        {
            "id": "mp-1223625",
            "created_at": "2022-09-04T14:39:06.862771Z",
            "structure_string": "K1 Ba3 Fe8 As8\n1.0\n2.806638 -0.001615 6.589319\n-2.806376 -8.256051 0.001918\n5.610212 -5.503153 0.002745\nK Ba Fe As\n1 3 8 8\ndirect\n-0.000000 -0.000000 -0.000000 K\n-0.000045 0.493560 0.753385 Ba\n-0.000000 -0.000000 0.500000 Ba\n0.000045 0.506440 0.246615 Ba\n0.500309 0.625244 0.313074 Fe\n0.500541 0.625329 0.813522 Fe\n0.499761 0.124789 0.062336 Fe\n0.499701 0.124817 0.562456 Fe\n0.499691 0.374756 0.686926 Fe\n0.499459 0.374671 0.186478 Fe\n0.500299 0.875183 0.437544 Fe\n0.500239 0.875211 0.937664 Fe\n0.302800 0.327076 0.509596 As\n0.302118 0.327587 0.011251 As\n0.300525 0.823643 0.263955 As\n0.300956 0.823853 0.762739 As\n0.697200 0.672924 0.490404 As\n0.697882 0.672413 0.988749 As\n0.699044 0.176147 0.237261 As\n0.699475 0.176357 0.736045 As\n",
            "nsites": 20,
            "nelements": 4,
            "elements": [
                "K",
                "Ba",
                "Fe",
                "As"
            ],
            "chemical_system": "As-Ba-Fe-K",
            "density": 6.109505288097315,
            "density_atomic": 0.04914774711158295,
            "volume": 406.9362519220434,
            "volume_molar": 12.253136947106832,
            "formula_full": "K1 Ba3 Fe8 As8",
            "formula_reduced": "KBa3(FeAs)8",
            "formula_anonymous": "AB3C8D8",
            "energy": -121.58751246,
            "energy_per_atom": -6.079375623,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -121.58751246,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.1628237,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:41.314000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-980664",
            "created_at": "2022-09-04T14:39:06.865530Z",
            "structure_string": "U2 Bi2 Sb2\n1.0\n4.419651 0.000000 0.000000\n0.000000 4.419651 0.000000\n0.000000 0.000000 8.824009\nU Bi Sb\n2 2 2\ndirect\n0.000000 0.500000 0.293504 U\n0.500000 0.000000 0.706496 U\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.000000 Bi\n0.000000 0.500000 0.647001 Sb\n0.500000 0.000000 0.352999 Sb\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "U",
                "Bi",
                "Sb"
            ],
            "chemical_system": "Bi-Sb-U",
            "density": 10.959061202844905,
            "density_atomic": 0.03481042736841449,
            "volume": 172.3621470227667,
            "volume_molar": 17.299818517781933,
            "formula_full": "U2 Bi2 Sb2",
            "formula_reduced": "UBiSb",
            "formula_anonymous": "ABC",
            "energy": -39.5811271,
            "energy_per_atom": -6.596854516666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -39.1971271,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.3343146,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:38.095000Z",
            "spacegroup": 129
        },
        {
            "id": "mp-1105528",
            "created_at": "2022-09-04T14:39:06.877871Z",
            "structure_string": "Pr5 As2 Cl1 O10\n1.0\n2.891480 6.317689 0.000000\n-2.891480 6.317689 0.000000\n0.000000 4.116406 8.246483\nPr As Cl O\n5 2 1 10\ndirect\n0.000000 0.000000 0.000000 Pr\n0.252237 0.252237 0.129253 Pr\n0.747763 0.747763 0.870747 Pr\n0.499763 0.499763 0.708034 Pr\n0.500237 0.500237 0.291966 Pr\n0.215353 0.215353 0.609422 As\n0.784647 0.784647 0.390578 As\n0.000000 0.000000 0.500000 Cl\n0.866732 0.374181 0.083799 O\n0.374181 0.866732 0.083799 O\n0.133268 0.625819 0.916201 O\n0.625819 0.133268 0.916201 O\n0.359003 0.359003 0.603296 O\n0.640997 0.640997 0.396704 O\n0.092925 0.623832 0.246473 O\n0.623832 0.092925 0.246473 O\n0.907075 0.376168 0.753527 O\n0.376168 0.907075 0.753527 O\n",
            "nsites": 18,
            "nelements": 4,
            "elements": [
                "Pr",
                "As",
                "Cl",
                "O"
            ],
            "chemical_system": "As-Cl-O-Pr",
            "density": 5.78615729677251,
            "density_atomic": 0.05974413884751584,
            "volume": 301.2847845366247,
            "volume_molar": 10.079885451810142,
            "formula_full": "Pr5 As2 Cl1 O10",
            "formula_reduced": "Pr5As2ClO10",
            "formula_anonymous": "AB2C5D10",
            "energy": -142.29773317,
            "energy_per_atom": -7.905429620555555,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -134.81373317,
            "band_gap": 3.2745,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0008634,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:26.909000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1216783",
            "created_at": "2022-09-04T14:39:06.896548Z",
            "structure_string": "U4 Fe6 Si2\n1.0\n-2.561925 -4.468701 0.000000\n-5.123850 0.000000 0.000000\n0.000000 0.000000 -7.447170\nU Fe Si\n4 6 2\ndirect\n0.334798 0.332601 0.565968 U\n0.665202 0.667399 0.434032 U\n0.665202 0.667399 0.065968 U\n0.334798 0.332601 0.934032 U\n0.833144 0.334414 0.750000 Fe\n0.333617 0.833191 0.750000 Fe\n0.833144 0.832441 0.750000 Fe\n0.166856 0.665586 0.250000 Fe\n0.666383 0.166809 0.250000 Fe\n0.166856 0.167559 0.250000 Fe\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "U",
                "Fe",
                "Si"
            ],
            "chemical_system": "Fe-Si-U",
            "density": 13.081918873642419,
            "density_atomic": 0.07037400602288345,
            "volume": 170.51750608169118,
            "volume_molar": 8.557336863900836,
            "formula_full": "U4 Fe6 Si2",
            "formula_reduced": "U2Fe3Si",
            "formula_anonymous": "AB2C3",
            "energy": -111.2847823,
            "energy_per_atom": -9.273731858333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -111.4267823,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0253031,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:41.395000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-1192566",
            "created_at": "2022-09-04T14:39:06.945951Z",
            "structure_string": "V2 Pb4 Se4 Cl2 O16\n1.0\n0.000000 -5.385967 0.000000\n-7.911469 0.000000 3.193180\n0.043841 0.000000 -10.988193\nV Pb Se Cl O\n2 4 4 2 16\ndirect\n0.965653 0.348762 0.943424 V\n0.465653 0.651238 0.056576 V\n0.435593 0.178418 0.187026 Pb\n0.935593 0.821582 0.812974 Pb\n0.980137 0.295827 0.501365 Pb\n0.480137 0.704173 0.498635 Pb\n0.474694 0.126594 0.808554 Se\n0.974694 0.873406 0.191446 Se\n0.986144 0.491908 0.274385 Se\n0.486144 0.508092 0.725615 Se\n0.495668 0.124251 0.446608 Cl\n0.995668 0.875749 0.553392 Cl\n0.702636 0.177907 0.936378 O\n0.202636 0.822093 0.063622 O\n0.206146 0.132112 0.898095 O\n0.706146 0.867888 0.101905 O\n0.523567 0.912623 0.741857 O\n0.023567 0.087377 0.258143 O\n0.206850 0.441952 0.372327 O\n0.706850 0.558048 0.627673 O\n0.724977 0.423001 0.331476 O\n0.224977 0.576999 0.668524 O\n0.058337 0.326988 0.127923 O\n0.558337 0.673012 0.872077 O\n0.776251 0.524338 0.031929 O\n0.276251 0.475662 0.968071 O\n0.926858 0.327162 0.787649 O\n0.426858 0.672838 0.212351 O\n",
            "nsites": 28,
            "nelements": 5,
            "elements": [
                "V",
                "Pb",
                "Se",
                "Cl",
                "O"
            ],
            "chemical_system": "Cl-O-Pb-Se-V",
            "density": 5.589158561136424,
            "density_atomic": 0.05989779894090041,
            "volume": 467.46292009205325,
            "volume_molar": 10.054026803124916,
            "formula_full": "V2 Pb4 Se4 Cl2 O16",
            "formula_reduced": "VPb2Se2ClO8",
            "formula_anonymous": "ABC2D2E8",
            "energy": -176.46173477,
            "energy_per_atom": -6.302204813214286,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -160.84173477,
            "band_gap": 1.5448,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0012088,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:29.608000Z",
            "spacegroup": 4
        },
        {
            "id": "mp-644129",
            "created_at": "2022-09-04T14:39:06.953428Z",
            "structure_string": "K4 Ni4 P4 H8 O20\n1.0\n5.610276 -0.000217 -0.000020\n-0.000324 8.361014 0.000434\n-0.000033 0.000523 9.541447\nK Ni P H O\n4 4 4 8 20\ndirect\n0.499981 0.457652 0.315361 K\n0.499982 0.457653 0.815387 K\n0.999981 0.542793 0.065364 K\n0.999982 0.542769 0.565369 K\n0.499657 0.017289 0.752270 Ni\n0.000039 0.982837 0.502526 Ni\n0.500049 0.017378 0.252215 Ni\n0.000293 0.982763 0.002603 Ni\n0.500031 0.791282 0.039029 P\n0.500031 0.791274 0.539008 P\n0.000033 0.208520 0.289059 P\n0.999951 0.208456 0.789129 P\n0.640338 0.191062 0.042727 H\n0.640346 0.191062 0.542769 H\n0.359669 0.191074 0.042747 H\n0.359638 0.191079 0.542765 H\n0.859610 0.809174 0.292896 H\n0.859585 0.809172 0.792908 H\n0.140376 0.809183 0.292891 H\n0.140371 0.809136 0.792888 H\n0.499985 0.821733 0.379752 O\n0.499993 0.821744 0.879743 O\n0.000020 0.178259 0.129784 O\n0.000020 0.178309 0.629810 O\n0.500010 0.611221 0.068144 O\n0.499981 0.611195 0.568129 O\n0.000012 0.388634 0.318085 O\n0.000006 0.388438 0.818460 O\n0.500009 0.207787 0.103865 O\n0.499983 0.207792 0.603876 O\n0.000002 0.792289 0.353934 O\n0.000030 0.792274 0.853935 O\n0.721391 0.875827 0.111935 O\n0.721490 0.875745 0.611858 O\n0.278501 0.875745 0.111871 O\n0.278481 0.875743 0.611860 O\n0.778421 0.123957 0.361883 O\n0.778303 0.123823 0.861830 O\n0.221663 0.123960 0.361873 O\n0.221753 0.123917 0.861856 O\n",
            "nsites": 40,
            "nelements": 5,
            "elements": [
                "K",
                "Ni",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "H-K-Ni-O-P",
            "density": 3.1280785823356165,
            "density_atomic": 0.08937222562304929,
            "volume": 447.56634089779135,
            "volume_molar": 6.73826876081161,
            "formula_full": "K4 Ni4 P4 H8 O20",
            "formula_reduced": "KNiPH2O5",
            "formula_anonymous": "ABCD2E5",
            "energy": -255.81141282,
            "energy_per_atom": -6.395285320499999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -231.90741282,
            "band_gap": 4.0044,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:27.347000Z",
            "spacegroup": 31
        },
        {
            "id": "mp-1094658",
            "created_at": "2022-09-04T14:39:06.956016Z",
            "structure_string": "Mg4 Ga2\n1.0\n1.539896 -7.982185 0.000000\n1.539896 7.982185 0.000000\n0.000000 0.000000 4.976444\nMg Ga\n4 2\ndirect\n0.444488 0.555512 0.250000 Mg\n0.776847 0.223153 0.250000 Mg\n0.223153 0.776847 0.750000 Mg\n0.555512 0.444488 0.750000 Mg\n0.111483 0.888517 0.250000 Ga\n0.888517 0.111483 0.750000 Ga\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Mg",
                "Ga"
            ],
            "chemical_system": "Ga-Mg",
            "density": 3.212348621932206,
            "density_atomic": 0.04904434666108287,
            "volume": 122.33825931992797,
            "volume_molar": 12.278970299299802,
            "formula_full": "Mg4 Ga2",
            "formula_reduced": "Mg2Ga",
            "formula_anonymous": "AB2",
            "energy": -12.69257788,
            "energy_per_atom": -2.1154296466666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -12.69257788,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0031607,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:31.134000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-1246531",
            "created_at": "2022-09-04T14:39:05.467382Z",
            "structure_string": "Sr12 Y8 N16\n1.0\n6.358043 0.000000 0.000000\n0.000000 12.494639 0.000000\n0.000000 0.000000 10.233117\nSr Y N\n12 8 16\ndirect\n0.682605 0.172661 0.396168 Sr\n0.817395 0.827339 0.396168 Sr\n0.682605 0.327339 0.103832 Sr\n0.817395 0.672661 0.103832 Sr\n0.317395 0.827339 0.603832 Sr\n0.182605 0.172661 0.603832 Sr\n0.317395 0.672661 0.896168 Sr\n0.182605 0.327339 0.896168 Sr\n0.750000 0.500000 0.437741 Sr\n0.750000 -0.000000 0.062259 Sr\n0.250000 0.500000 0.562259 Sr\n0.250000 -0.000000 0.937741 Sr\n0.750000 0.500000 0.790358 Y\n0.750000 -0.000000 0.709642 Y\n0.250000 0.500000 0.209642 Y\n0.250000 -0.000000 0.290358 Y\n0.731525 0.250000 0.750000 Y\n0.768475 0.750000 0.750000 Y\n0.268475 0.750000 0.250000 Y\n0.231525 0.250000 0.250000 Y\n0.955795 0.384562 0.666598 N\n0.544205 0.615438 0.666598 N\n0.955795 0.115438 0.833402 N\n0.544205 0.884562 0.833402 N\n0.044205 0.615438 0.333402 N\n0.455795 0.384562 0.333402 N\n0.044205 0.884562 0.166598 N\n0.455795 0.115438 0.166598 N\n0.561347 0.363783 0.880682 N\n0.938653 0.636217 0.880682 N\n0.561347 0.136217 0.619318 N\n0.938653 0.863783 0.619318 N\n0.438653 0.636217 0.119318 N\n0.061347 0.363783 0.119318 N\n0.438653 0.863783 0.380682 N\n0.061347 0.136217 0.380682 N\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Sr",
                "Y",
                "N"
            ],
            "chemical_system": "N-Sr-Y",
            "density": 4.058325005707711,
            "density_atomic": 0.044284055615994335,
            "volume": 812.9336732879918,
            "volume_molar": 13.598891691900386,
            "formula_full": "Sr12 Y8 N16",
            "formula_reduced": "Sr3Y2N4",
            "formula_anonymous": "A2B3C4",
            "energy": -240.88505087,
            "energy_per_atom": -6.691251413055555,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -235.10905087,
            "band_gap": 0.7248999999999999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.003935,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:39.434000Z",
            "spacegroup": 52
        }
    ]
}