GET /third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=12185
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=-is_theoretical&page=12186",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=12184",
    "results": [
        {
            "id": "mp-20516",
            "created_at": "2022-09-04T14:41:51.856042Z",
            "structure_string": "In1 Pt3\n1.0\n4.054231 0.000000 0.000000\n0.000000 4.054231 0.000000\n0.000000 0.000000 4.054231\nIn Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "In",
                "Pt"
            ],
            "chemical_system": "In-Pt",
            "density": 17.444763839461217,
            "density_atomic": 0.060025325126057794,
            "volume": 66.63853950977679,
            "volume_molar": 10.03266662421743,
            "formula_full": "In1 Pt3",
            "formula_reduced": "InPt3",
            "formula_anonymous": "AB3",
            "energy": -22.38181248,
            "energy_per_atom": -5.59545312,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -22.38181248,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006547,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:30.745000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-1018817",
            "created_at": "2022-09-04T14:41:52.316425Z",
            "structure_string": "Nd2 Se4\n1.0\n4.170354 0.000000 0.000000\n0.000000 4.170354 0.000000\n0.000000 0.000000 8.614197\nNd Se\n2 4\ndirect\n0.000000 0.500000 0.726355 Nd\n0.500000 0.000000 0.273645 Nd\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 0.000000 Se\n0.000000 0.500000 0.367992 Se\n0.500000 0.000000 0.632008 Se\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Nd",
                "Se"
            ],
            "chemical_system": "Nd-Se",
            "density": 6.6982028683634525,
            "density_atomic": 0.04004890144319297,
            "volume": 149.81684350345162,
            "volume_molar": 15.036968663277955,
            "formula_full": "Nd2 Se4",
            "formula_reduced": "NdSe2",
            "formula_anonymous": "AB2",
            "energy": -35.03886963,
            "energy_per_atom": -5.839811605,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -33.15086963,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.89e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:27.918000Z",
            "spacegroup": 129
        },
        {
            "id": "mp-28716",
            "created_at": "2022-09-04T14:41:47.269219Z",
            "structure_string": "Na4 Cr2 Cl8\n1.0\n11.628278 0.000000 0.000000\n0.000000 4.038488 0.000000\n0.000000 0.466806 7.001076\nNa Cr Cl\n4 2 8\ndirect\n0.680326 0.516761 0.093939 Na\n0.180326 0.483239 0.406061 Na\n0.819674 0.516761 0.593939 Na\n0.319674 0.483239 0.906061 Na\n0.500000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.953028 0.566807 0.240217 Cl\n0.453028 0.433193 0.259783 Cl\n0.806514 0.008080 0.884633 Cl\n0.306514 0.991920 0.615367 Cl\n0.193486 0.991920 0.115367 Cl\n0.693486 0.008080 0.384633 Cl\n0.046972 0.433193 0.759783 Cl\n0.546972 0.566807 0.740217 Cl\n",
            "nsites": 14,
            "nelements": 3,
            "elements": [
                "Na",
                "Cr",
                "Cl"
            ],
            "chemical_system": "Cl-Cr-Na",
            "density": 2.4221826500540984,
            "density_atomic": 0.042582292691925344,
            "volume": 328.7751578170601,
            "volume_molar": 14.142359134039646,
            "formula_full": "Na4 Cr2 Cl8",
            "formula_reduced": "Na2CrCl4",
            "formula_anonymous": "AB2C4",
            "energy": -64.23507182,
            "energy_per_atom": -4.588219415714286,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -59.32307182,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.9985456,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:25.707000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-6013",
            "created_at": "2022-09-04T14:41:47.274788Z",
            "structure_string": "K2 Ta2 Cu4 Se8\n1.0\n2.862796 -9.634348 0.000000\n2.862796 9.634348 0.000000\n0.000000 0.000000 7.815333\nK Ta Cu Se\n2 2 4 8\ndirect\n0.447455 0.079231 0.250000 K\n0.079231 0.447455 0.750000 K\n0.608481 0.391826 0.750000 Ta\n0.391826 0.608481 0.250000 Ta\n0.106605 0.893177 0.750000 Cu\n0.893177 0.106605 0.250000 Cu\n0.515994 0.515994 0.500000 Cu\n0.515994 0.515994 0.000000 Cu\n0.256608 0.250530 0.750000 Se\n0.250530 0.256608 0.250000 Se\n0.462081 0.041859 0.750000 Se\n0.041859 0.462081 0.250000 Se\n0.640155 0.854524 0.995320 Se\n0.854524 0.640155 0.004680 Se\n0.640155 0.854524 0.504680 Se\n0.854524 0.640155 0.495320 Se\n",
            "nsites": 16,
            "nelements": 4,
            "elements": [
                "K",
                "Ta",
                "Cu",
                "Se"
            ],
            "chemical_system": "Cu-K-Se-Ta",
            "density": 5.107261724801062,
            "density_atomic": 0.03711331677979655,
            "volume": 431.1121017539977,
            "volume_molar": 16.226361000637606,
            "formula_full": "K2 Ta2 Cu4 Se8",
            "formula_reduced": "KTa(CuSe2)2",
            "formula_anonymous": "ABC2D4",
            "energy": -85.85713298,
            "energy_per_atom": -5.36607081125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -82.08113298,
            "band_gap": 1.6646,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 3.49e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:23.752000Z",
            "spacegroup": 40
        },
        {
            "id": "mp-1190182",
            "created_at": "2022-09-04T14:41:47.280048Z",
            "structure_string": "Nd2 Fe15 Co2\n1.0\n4.279233 2.470616 4.150257\n-4.279233 2.470616 4.150257\n0.000000 -4.941232 4.150257\nNd Fe Co\n2 15 2\ndirect\n0.658202 0.658202 0.658202 Nd\n0.341798 0.341798 0.341798 Nd\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.290335 0.709665 0.000000 Fe\n0.709665 0.000000 0.290335 Fe\n0.000000 0.290335 0.709665 Fe\n0.290335 0.000000 0.709665 Fe\n0.000000 0.709665 0.290335 Fe\n0.709665 0.290335 0.000000 Fe\n0.341137 0.341137 0.846144 Fe\n0.341137 0.846144 0.341137 Fe\n0.846144 0.341137 0.341137 Fe\n0.658863 0.658863 0.153856 Fe\n0.658863 0.153856 0.658863 Fe\n0.153856 0.658863 0.658863 Fe\n0.906306 0.906306 0.906306 Co\n0.093694 0.093694 0.093694 Co\n",
            "nsites": 19,
            "nelements": 3,
            "elements": [
                "Nd",
                "Fe",
                "Co"
            ],
            "chemical_system": "Co-Fe-Nd",
            "density": 7.846589212698171,
            "density_atomic": 0.0721699120691434,
            "volume": 263.2676063370672,
            "volume_molar": 8.344392541632034,
            "formula_full": "Nd2 Fe15 Co2",
            "formula_reduced": "Nd2Fe15Co2",
            "formula_anonymous": "A2B2C15",
            "energy": -149.89269252,
            "energy_per_atom": -7.88908908,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -149.89269252,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 38.2472095,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:25.235000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-23559",
            "created_at": "2022-09-04T14:41:35.721570Z",
            "structure_string": "In2 I6 O18\n1.0\n5.737135 -4.948713 0.000000\n5.737135 4.948713 0.000000\n1.468496 0.000000 7.432900\nIn I O\n2 6 18\ndirect\n0.821357 0.821357 0.821357 In\n0.178643 0.178643 0.178643 In\n0.419267 0.720670 0.130140 I\n0.279330 0.869860 0.580733 I\n0.869860 0.580733 0.279330 I\n0.580733 0.279330 0.869860 I\n0.130140 0.419267 0.720670 I\n0.720670 0.130140 0.419267 I\n0.785111 0.266508 0.575359 O\n0.266508 0.575359 0.785111 O\n0.575359 0.785111 0.266508 O\n0.214889 0.733492 0.424641 O\n0.733492 0.424641 0.214889 O\n0.424641 0.214889 0.733492 O\n0.701114 0.916837 0.572418 O\n0.916837 0.572418 0.701114 O\n0.706295 0.062080 0.945704 O\n0.945704 0.706295 0.062080 O\n0.062080 0.945704 0.706295 O\n0.293705 0.937920 0.054296 O\n0.054296 0.293705 0.937920 O\n0.937920 0.054296 0.293705 O\n0.427582 0.298886 0.083163 O\n0.083163 0.427582 0.298886 O\n0.298886 0.083163 0.427582 O\n0.572418 0.701114 0.916837 O\n",
            "nsites": 26,
            "nelements": 3,
            "elements": [
                "In",
                "I",
                "O"
            ],
            "chemical_system": "I-In-O",
            "density": 5.032243907188583,
            "density_atomic": 0.06160241317734546,
            "volume": 422.06138784124136,
            "volume_molar": 9.77581956515734,
            "formula_full": "In2 I6 O18",
            "formula_reduced": "In(IO3)3",
            "formula_anonymous": "AB3C9",
            "energy": -130.61458205,
            "energy_per_atom": -5.023637771153846,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -118.24858205,
            "band_gap": 3.0751000000000004,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0012891,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:26.630000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-18978",
            "created_at": "2022-09-04T14:41:35.721747Z",
            "structure_string": "Sr2 Mn1 O4\n1.0\n3.711756 0.000000 -1.078662\n-0.313466 3.698496 -1.078662\n-0.019388 -0.021100 6.858832\nSr Mn O\n2 1 4\ndirect\n0.643815 0.643814 0.287628 Sr\n0.356185 0.356186 0.712372 Sr\n0.000000 0.000000 0.000000 Mn\n0.843583 0.843583 0.687167 O\n0.156417 0.156417 0.312833 O\n0.000001 0.500001 0.000001 O\n0.499999 0.000000 0.000000 O\n",
            "nsites": 7,
            "nelements": 3,
            "elements": [
                "Sr",
                "Mn",
                "O"
            ],
            "chemical_system": "Mn-O-Sr",
            "density": 5.19733954325367,
            "density_atomic": 0.0744771961746283,
            "volume": 93.98850063564353,
            "volume_molar": 8.08588543784564,
            "formula_full": "Sr2 Mn1 O4",
            "formula_reduced": "Sr2MnO4",
            "formula_anonymous": "AB2C4",
            "energy": -51.20611398,
            "energy_per_atom": -7.31515914,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -46.79011398,
            "band_gap": 0.2157,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.0148543,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:29.331000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-24235",
            "created_at": "2022-09-04T14:41:47.294623Z",
            "structure_string": "H24 C4 S4 N16\n1.0\n15.712386 0.000000 0.000000\n0.000000 4.773957 0.000000\n0.000000 3.897139 6.227495\nH C S N\n24 4 4 16\ndirect\n0.600379 0.521007 0.549915 H\n0.100379 0.478993 0.950085 H\n0.399621 0.478993 0.450085 H\n0.899621 0.521007 0.049915 H\n0.543884 0.169613 0.669638 H\n0.043884 0.830387 0.830362 H\n0.456116 0.830387 0.330362 H\n0.956116 0.169613 0.169638 H\n0.524417 0.447648 0.862245 H\n0.024417 0.552352 0.637755 H\n0.475583 0.552352 0.137755 H\n0.975583 0.447648 0.362245 H\n0.727058 0.556274 0.283310 H\n0.795546 0.982930 0.402486 H\n0.272942 0.443726 0.716690 H\n0.772942 0.556274 0.783310 H\n0.805587 0.826437 0.161985 H\n0.305587 0.173563 0.338015 H\n0.194413 0.173563 0.838015 H\n0.694413 0.826437 0.661985 H\n0.704454 0.982930 0.902486 H\n0.204454 0.017070 0.597514 H\n0.295546 0.017070 0.097514 H\n0.227058 0.443726 0.216690 H\n0.875144 0.156191 0.544274 C\n0.124856 0.843809 0.455726 C\n0.375144 0.843809 0.955726 C\n0.624856 0.156191 0.044274 C\n0.594423 0.161762 0.265746 S\n0.094423 0.838238 0.234254 S\n0.405577 0.838238 0.734254 S\n0.905577 0.161762 0.765746 S\n0.078279 0.675513 0.637979 N\n0.094922 0.710400 0.813455 N\n0.405078 0.710400 0.313455 N\n0.905078 0.289600 0.186545 N\n0.578279 0.324487 0.862021 N\n0.594922 0.289600 0.686545 N\n0.421721 0.675513 0.137979 N\n0.921721 0.324487 0.362021 N\n0.806528 0.995379 0.536770 N\n0.244539 0.200928 0.281784 N\n0.744539 0.799072 0.218216 N\n0.755461 0.799072 0.718216 N\n0.693472 0.995379 0.036770 N\n0.193472 0.004621 0.463230 N\n0.306528 0.004621 0.963230 N\n0.255461 0.200928 0.781784 N\n",
            "nsites": 48,
            "nelements": 4,
            "elements": [
                "H",
                "C",
                "S",
                "N"
            ],
            "chemical_system": "C-H-N-S",
            "density": 1.5093697086355164,
            "density_atomic": 0.10275600406093993,
            "volume": 467.12598877953036,
            "volume_molar": 5.860621785592734,
            "formula_full": "H24 C4 S4 N16",
            "formula_reduced": "H6CSN4",
            "formula_anonymous": "ABC4D6",
            "energy": -277.68172046,
            "energy_per_atom": -5.785035842916667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -269.89372046,
            "band_gap": 3.4076,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001749,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:28.806000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-866741",
            "created_at": "2022-09-04T14:41:53.283615Z",
            "structure_string": "Li1 Nd9 Mo16 O35\n1.0\n4.367499 9.169369 0.000000\n-4.367499 9.169369 0.000000\n0.000000 2.065868 9.684682\nLi Nd Mo O\n1 9 16 35\ndirect\n0.000000 0.000000 0.000000 Li\n0.617713 0.072597 0.202353 Nd\n0.927403 0.382287 0.797647 Nd\n0.382287 0.927403 0.797647 Nd\n0.072597 0.617713 0.202353 Nd\n0.298082 0.298082 0.534022 Nd\n0.701918 0.701918 0.465978 Nd\n0.692041 0.692041 0.066925 Nd\n0.307959 0.307959 0.933075 Nd\n0.500000 0.500000 0.000000 Nd\n0.738159 0.062000 0.829383 Mo\n0.938000 0.261841 0.170617 Mo\n0.261841 0.938000 0.170617 Mo\n0.062000 0.738159 0.829383 Mo\n0.788978 0.788978 0.745488 Mo\n0.211022 0.211022 0.254512 Mo\n0.729708 0.046450 0.551437 Mo\n0.953550 0.270292 0.448563 Mo\n0.270292 0.953550 0.448563 Mo\n0.046450 0.729708 0.551437 Mo\n0.990390 0.990390 0.356034 Mo\n0.009610 0.009610 0.643966 Mo\n0.317161 0.686195 0.355998 Mo\n0.313805 0.682839 0.644002 Mo\n0.682839 0.313805 0.644002 Mo\n0.686195 0.317161 0.355998 Mo\n0.500000 0.500000 0.500000 O\n0.560075 0.206084 0.405219 O\n0.793916 0.439925 0.594781 O\n0.439925 0.793916 0.594781 O\n0.206084 0.560075 0.405219 O\n0.897986 0.897986 0.986732 O\n0.102014 0.102014 0.013268 O\n0.493894 0.493894 0.233294 O\n0.506106 0.506106 0.766706 O\n0.541646 0.222007 0.693034 O\n0.777993 0.458354 0.306966 O\n0.458354 0.777993 0.306966 O\n0.222007 0.541646 0.693034 O\n0.606507 0.934436 0.607383 O\n0.065564 0.393493 0.392617 O\n0.393493 0.065564 0.392617 O\n0.934436 0.606507 0.607383 O\n0.776631 0.425232 0.019597 O\n0.574768 0.223369 0.980403 O\n0.223369 0.574768 0.980403 O\n0.425232 0.776631 0.019597 O\n0.675182 0.675182 0.811259 O\n0.324818 0.324818 0.188741 O\n0.616423 0.947545 0.887829 O\n0.052455 0.383577 0.112171 O\n0.383577 0.052455 0.112171 O\n0.947545 0.616423 0.887829 O\n0.768691 0.768691 0.231917 O\n0.231309 0.231309 0.768083 O\n0.873214 0.873214 0.398139 O\n0.126786 0.126786 0.601861 O\n0.856224 0.182613 0.798428 O\n0.817387 0.143776 0.201572 O\n0.143776 0.817387 0.201572 O\n0.182613 0.856224 0.798428 O\n",
            "nsites": 61,
            "nelements": 4,
            "elements": [
                "Li",
                "Nd",
                "Mo",
                "O"
            ],
            "chemical_system": "Li-Mo-Nd-O",
            "density": 7.278770330981517,
            "density_atomic": 0.07863976550333722,
            "volume": 775.6889864760768,
            "volume_molar": 7.657882397607657,
            "formula_full": "Li1 Nd9 Mo16 O35",
            "formula_reduced": "LiNd9Mo16O35",
            "formula_anonymous": "AB9C16D35",
            "energy": -529.9443961000001,
            "energy_per_atom": -8.687613050819673,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -454.6673961,
            "band_gap": 0.9081,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0002234,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:33.886000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-16045",
            "created_at": "2022-09-04T14:41:52.990401Z",
            "structure_string": "Sr1 As4 Rh6\n1.0\n3.655705 -6.331866 0.000000\n3.655705 6.331866 0.000000\n0.000000 0.000000 3.877259\nSr As Rh\n1 4 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.808808 0.617617 0.500000 As\n0.382383 0.191192 0.500000 As\n0.333333 0.666667 0.000000 As\n0.808808 0.191192 0.500000 As\n0.201831 0.798169 0.500000 Rh\n0.201831 0.403662 0.500000 Rh\n0.534828 0.069656 0.000000 Rh\n0.930344 0.465172 0.000000 Rh\n0.534828 0.465172 0.000000 Rh\n0.596338 0.798169 0.500000 Rh\n",
            "nsites": 11,
            "nelements": 3,
            "elements": [
                "Sr",
                "As",
                "Rh"
            ],
            "chemical_system": "As-Rh-Sr",
            "density": 9.294903044632418,
            "density_atomic": 0.06128229464788592,
            "volume": 179.4971951230529,
            "volume_molar": 9.826885227783729,
            "formula_full": "Sr1 As4 Rh6",
            "formula_reduced": "Sr(As2Rh3)2",
            "formula_anonymous": "AB4C6",
            "energy": -71.36622626,
            "energy_per_atom": -6.487838750909091,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -71.36622626,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0043361,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:32.441000Z",
            "spacegroup": 187
        },
        {
            "id": "mp-1198169",
            "created_at": "2022-09-04T14:41:35.743170Z",
            "structure_string": "K8 Mo4 O12 F16\n1.0\n0.000000 -6.288538 0.000000\n-6.258851 0.000000 0.620303\n-0.204734 0.000000 -18.387452\nK Mo O F\n8 4 12 16\ndirect\n0.665421 0.697060 0.102135 K\n0.165421 0.302940 0.397865 K\n0.334579 0.302940 0.897865 K\n0.834579 0.697060 0.602135 K\n0.650381 0.246880 0.249395 K\n0.150381 0.753120 0.250605 K\n0.349619 0.753120 0.750605 K\n0.849619 0.246880 0.749395 K\n0.654542 0.796130 0.370096 Mo\n0.154542 0.203870 0.129904 Mo\n0.345458 0.203870 0.629904 Mo\n0.845458 0.796130 0.870096 Mo\n0.676117 0.767639 0.463354 O\n0.176117 0.232361 0.036646 O\n0.323883 0.232361 0.536646 O\n0.823883 0.767639 0.963354 O\n0.468280 0.001889 0.366048 O\n0.968280 0.998111 0.133952 O\n0.531720 0.998111 0.633952 O\n0.031720 0.001889 0.866048 O\n0.675586 0.287266 0.009402 O\n0.175586 0.712734 0.490598 O\n0.324414 0.712734 0.990598 O\n0.824414 0.287266 0.509402 O\n0.680578 0.786068 0.255849 F\n0.180578 0.213931 0.244151 F\n0.319422 0.213931 0.744151 F\n0.819422 0.786068 0.755849 F\n0.869079 0.550398 0.345371 F\n0.369079 0.449602 0.154629 F\n0.130921 0.449602 0.654629 F\n0.630921 0.550398 0.845371 F\n0.445337 0.566140 0.346125 F\n0.945337 0.433860 0.153875 F\n0.554663 0.433860 0.653875 F\n0.054663 0.566140 0.846125 F\n0.907836 0.976847 0.364194 F\n0.407836 0.023153 0.135806 F\n0.092164 0.023153 0.635806 F\n0.592164 0.976847 0.864194 F\n",
            "nsites": 40,
            "nelements": 4,
            "elements": [
                "K",
                "Mo",
                "O",
                "F"
            ],
            "chemical_system": "F-K-Mo-O",
            "density": 2.733176114825626,
            "density_atomic": 0.0552096700091442,
            "volume": 724.5107604043808,
            "volume_molar": 10.907764453224539,
            "formula_full": "K8 Mo4 O12 F16",
            "formula_reduced": "K2MoO3F4",
            "formula_anonymous": "AB2C3D4",
            "energy": -231.02404782,
            "energy_per_atom": -5.7756011955,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -202.58004782,
            "band_gap": 0.3876000000000001,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 8.0008228,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:26.466000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-21118",
            "created_at": "2022-09-04T14:41:47.287405Z",
            "structure_string": "Sr1 Mn2 Ge2\n1.0\n-2.040892 2.040892 5.764516\n2.040892 -2.040892 5.764516\n2.040892 2.040892 -5.764516\nSr Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.633763 0.633763 0.000000 Ge\n0.366237 0.366237 0.000000 Ge\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Sr",
                "Mn",
                "Ge"
            ],
            "chemical_system": "Ge-Mn-Sr",
            "density": 5.9264787440552,
            "density_atomic": 0.0520603540640512,
            "volume": 96.04237408467047,
            "volume_molar": 11.567613913249232,
            "formula_full": "Sr1 Mn2 Ge2",
            "formula_reduced": "Sr(MnGe)2",
            "formula_anonymous": "AB2C2",
            "energy": -30.74084353,
            "energy_per_atom": -6.148168706,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -30.74084353,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.383458,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:24.889000Z",
            "spacegroup": 139
        }
    ]
}