GET /third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=34
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=35",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=33",
    "results": [
        {
            "id": "mp-1079206",
            "created_at": "2022-09-04T14:43:49.940472Z",
            "structure_string": "Pr3 In3 Pd3\n1.0\n3.906273 -6.765864 0.000000\n3.906273 6.765864 0.000000\n0.000000 0.000000 4.096578\nPr In Pd\n3 3 3\ndirect\n0.410558 0.410558 0.500000 Pr\n0.589442 0.000000 0.500000 Pr\n0.000000 0.589442 0.500000 Pr\n0.749381 0.749381 0.000000 In\n0.250619 0.000000 0.000000 In\n0.000000 0.250619 0.000000 In\n0.666667 0.333333 0.000000 Pd\n0.333333 0.666667 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "Pr",
                "In",
                "Pd"
            ],
            "chemical_system": "In-Pd-Pr",
            "density": 8.33137236613948,
            "density_atomic": 0.041562860520515554,
            "volume": 216.5394750815472,
            "volume_molar": 14.48923554486211,
            "formula_full": "Pr3 In3 Pd3",
            "formula_reduced": "PrInPd",
            "formula_anonymous": "ABC",
            "energy": -45.08894981,
            "energy_per_atom": -5.009883312222223,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -45.08894981,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0015296,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:24.923000Z",
            "spacegroup": 189
        },
        {
            "id": "mp-559111",
            "created_at": "2022-09-04T14:43:43.623586Z",
            "structure_string": "Na8 Tb4 Mo4 P4 O32\n1.0\n-3.506257 6.133283 9.056512\n3.506257 -6.133283 9.056512\n3.506257 6.133283 -9.056512\nNa Tb Mo P O\n8 4 4 4 32\ndirect\n0.802114 0.334734 0.446444 Na\n0.388290 0.355670 0.053556 Na\n0.197886 0.665266 0.553556 Na\n0.697886 0.144330 0.532620 Na\n0.611710 0.644330 0.946444 Na\n0.888290 0.834734 0.032620 Na\n0.111710 0.165266 0.967380 Na\n0.302114 0.855670 0.467380 Na\n0.821732 0.750000 0.571732 Tb\n0.178268 0.250000 0.428268 Tb\n0.678268 0.250000 0.928268 Tb\n0.321732 0.750000 0.071732 Tb\n0.429869 0.179869 0.250000 Mo\n0.929869 0.679869 0.250000 Mo\n0.570131 0.820131 0.750000 Mo\n0.070131 0.320131 0.750000 Mo\n0.930719 0.250000 0.180719 P\n0.069281 0.750000 0.819281 P\n0.569281 0.750000 0.319281 P\n0.430719 0.250000 0.680719 P\n0.362616 0.196110 0.092057 O\n0.655315 0.931274 0.571506 O\n0.151133 0.584395 0.979713 O\n0.155315 0.583809 0.724041 O\n0.844685 0.416191 0.275959 O\n0.140232 0.916191 0.071506 O\n0.895947 0.303890 0.666506 O\n0.104682 0.171420 0.520287 O\n0.104053 0.696110 0.333494 O\n0.137384 0.229441 0.833494 O\n0.859768 0.083809 0.928494 O\n0.637384 0.803890 0.907943 O\n0.074919 0.330492 0.268652 O\n0.640232 0.568726 0.224041 O\n0.604053 0.270559 0.407943 O\n0.848867 0.415605 0.020287 O\n0.561840 0.806267 0.231348 O\n0.425081 0.693733 0.255573 O\n0.925081 0.669508 0.731348 O\n0.061840 0.830492 0.755573 O\n0.438160 0.193733 0.768652 O\n0.651133 0.671420 0.566738 O\n0.344685 0.068726 0.428494 O\n0.359768 0.431274 0.775959 O\n0.938160 0.169508 0.244427 O\n0.395318 0.915605 0.066738 O\n0.574919 0.306267 0.744427 O\n0.604682 0.084395 0.933262 O\n0.348867 0.328580 0.433262 O\n0.395947 0.729441 0.592057 O\n0.862616 0.770559 0.166506 O\n0.895318 0.828580 0.479713 O\n",
            "nsites": 52,
            "nelements": 5,
            "elements": [
                "Na",
                "Tb",
                "Mo",
                "P",
                "O"
            ],
            "chemical_system": "Mo-Na-O-P-Tb",
            "density": 3.9204275250759877,
            "density_atomic": 0.06674913399678778,
            "volume": 779.0363243139968,
            "volume_molar": 9.0220507734075,
            "formula_full": "Na8 Tb4 Mo4 P4 O32",
            "formula_reduced": "Na2TbMoPO8",
            "formula_anonymous": "ABCD2E8",
            "energy": -396.63819961,
            "energy_per_atom": -7.6276576848076925,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -361.84619961,
            "band_gap": 4.177499999999999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0056155,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:16.894000Z",
            "spacegroup": 73
        },
        {
            "id": "mp-11247",
            "created_at": "2022-09-04T14:43:42.077618Z",
            "structure_string": "Li3 Au1\n1.0\n0.000000 3.152618 3.152618\n3.152618 0.000000 3.152618\n3.152618 3.152618 0.000000\nLi Au\n3 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Au\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Li",
                "Au"
            ],
            "chemical_system": "Au-Li",
            "density": 5.770881076888854,
            "density_atomic": 0.06382869175200025,
            "volume": 62.66774220505074,
            "volume_molar": 9.434849116755208,
            "formula_full": "Li3 Au1",
            "formula_reduced": "Li3Au",
            "formula_anonymous": "AB3",
            "energy": -10.64575554,
            "energy_per_atom": -2.661438885,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -10.64575554,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000131,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:23.683000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-21041",
            "created_at": "2022-09-04T14:43:49.943508Z",
            "structure_string": "Tb1 Fe4 P12\n1.0\n-3.890420 3.890420 3.890420\n3.890420 -3.890420 3.890420\n3.890420 3.890420 -3.890420\nTb Fe P\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.150840 0.798672 0.647833 P\n0.150840 0.503007 0.352167 P\n0.849160 0.496993 0.647833 P\n0.352167 0.150840 0.503007 P\n0.798672 0.647833 0.150840 P\n0.849160 0.201328 0.352167 P\n0.647833 0.150840 0.798672 P\n0.496993 0.647833 0.849160 P\n0.647833 0.849160 0.496993 P\n0.503007 0.352167 0.150840 P\n0.352167 0.849160 0.201328 P\n0.201328 0.352167 0.849160 P\n",
            "nsites": 17,
            "nelements": 3,
            "elements": [
                "Tb",
                "Fe",
                "P"
            ],
            "chemical_system": "Fe-P-Tb",
            "density": 5.315761764742555,
            "density_atomic": 0.0721771056286637,
            "volume": 235.5317500186484,
            "volume_molar": 8.34356089447902,
            "formula_full": "Tb1 Fe4 P12",
            "formula_reduced": "Tb(FeP3)4",
            "formula_anonymous": "AB4C12",
            "energy": -113.54001682,
            "energy_per_atom": -6.67882451882353,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -113.54001682,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0363096,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:19.603000Z",
            "spacegroup": 204
        },
        {
            "id": "mp-1189358",
            "created_at": "2022-09-04T14:43:49.958123Z",
            "structure_string": "U1 Ge12 Pt4\n1.0\n-4.355882 4.355882 4.355882\n4.355882 -4.355882 4.355882\n4.355882 4.355882 -4.355882\nU Ge Pt\n1 12 4\ndirect\n0.000000 0.000000 0.000000 U\n0.351911 0.201457 0.849545 Ge\n0.648089 0.798543 0.150455 Ge\n0.648089 0.497634 0.849545 Ge\n0.351911 0.502366 0.150455 Ge\n0.201457 0.849545 0.351911 Ge\n0.798543 0.150455 0.648089 Ge\n0.497634 0.849545 0.648089 Ge\n0.502366 0.150455 0.351911 Ge\n0.849545 0.351911 0.201457 Ge\n0.150455 0.648089 0.798543 Ge\n0.849545 0.648089 0.497634 Ge\n0.150455 0.351911 0.502366 Ge\n0.000000 0.000000 0.500000 Pt\n0.500000 0.000000 0.000000 Pt\n0.000000 0.500000 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n",
            "nsites": 17,
            "nelements": 3,
            "elements": [
                "U",
                "Ge",
                "Pt"
            ],
            "chemical_system": "Ge-Pt-U",
            "density": 9.493643318081121,
            "density_atomic": 0.05142337908309713,
            "volume": 330.58893256565284,
            "volume_molar": 11.710900503579467,
            "formula_full": "U1 Ge12 Pt4",
            "formula_reduced": "U(Ge3Pt)4",
            "formula_anonymous": "AB4C12",
            "energy": -95.47426278,
            "energy_per_atom": -5.616133104705883,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -95.47426278,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.2286674,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:20.043000Z",
            "spacegroup": 204
        },
        {
            "id": "mp-1195610",
            "created_at": "2022-09-04T14:43:49.988064Z",
            "structure_string": "Ca4 H52 I8 O26\n1.0\n0.000000 -8.503333 0.000000\n-8.331125 -4.251667 0.000000\n-1.773342 -4.251667 -17.060321\nCa H I O\n4 52 8 26\ndirect\n0.596476 0.368282 0.843715 Ca\n0.808472 0.131718 0.656285 Ca\n0.403524 0.631718 0.156285 Ca\n0.191528 0.868282 0.343715 Ca\n0.454872 0.199930 0.987787 H\n0.642589 0.300070 0.512213 H\n0.545128 0.800070 0.012213 H\n0.357411 0.699930 0.487787 H\n0.996954 0.166489 0.774962 H\n0.938405 0.333511 0.725038 H\n0.003046 0.833511 0.225038 H\n0.061595 0.666489 0.274962 H\n0.927329 0.257657 0.922078 H\n0.107064 0.242343 0.577922 H\n0.072671 0.742343 0.077922 H\n0.892936 0.757657 0.422078 H\n0.841323 0.446648 0.914702 H\n0.202673 0.053352 0.585298 H\n0.158677 0.553352 0.085298 H\n0.797327 0.946648 0.414702 H\n0.633354 0.664163 0.731547 H\n0.029064 0.835837 0.768453 H\n0.366646 0.335837 0.268453 H\n0.970936 0.164163 0.231547 H\n0.380004 0.700404 0.893449 H\n0.973856 0.799596 0.606551 H\n0.619996 0.299596 0.106551 H\n0.026144 0.200404 0.393449 H\n0.656458 0.114188 0.995606 H\n0.766253 0.385812 0.504394 H\n0.343542 0.885812 0.004394 H\n0.233747 0.614188 0.495606 H\n0.330738 0.604813 0.971414 H\n0.906965 0.895187 0.528586 H\n0.669262 0.395187 0.028586 H\n0.093035 0.104813 0.471414 H\n0.192637 0.479324 0.871100 H\n0.543060 0.020676 0.628900 H\n0.807363 0.520676 0.128900 H\n0.456940 0.979324 0.371100 H\n0.267184 0.297405 0.855865 H\n0.420454 0.202595 0.644135 H\n0.732816 0.702595 0.144135 H\n0.579546 0.797405 0.355865 H\n0.709789 0.647759 0.807769 H\n0.165317 0.852241 0.692231 H\n0.290211 0.352241 0.192231 H\n0.834683 0.147759 0.307769 H\n0.551947 0.500354 0.668379 H\n0.720679 0.999646 0.831621 H\n0.448053 0.499646 0.331621 H\n0.279321 0.000354 0.168379 H\n0.427694 0.415145 0.702386 H\n0.545225 0.084855 0.797614 H\n0.572306 0.584855 0.297614 H\n0.454775 0.915145 0.202386 H\n0.866417 0.715093 0.899095 I\n0.480605 0.784907 0.600905 I\n0.133583 0.284907 0.100905 I\n0.519395 0.215093 0.399095 I\n0.236887 0.034886 0.864793 I\n0.136566 0.465114 0.635207 I\n0.763113 0.965114 0.135207 I\n0.863434 0.534886 0.364793 I\n0.657936 0.599129 0.781976 O\n0.039041 0.900871 0.718024 O\n0.342064 0.400871 0.218024 O\n0.960959 0.099129 0.281976 O\n0.546869 0.405934 0.704257 O\n0.657060 0.094066 0.795743 O\n0.453131 0.594066 0.295743 O\n0.342940 0.905934 0.204257 O\n0.895433 0.250000 0.750000 O\n0.104567 0.750000 0.250000 O\n0.810345 0.353608 0.925517 O\n0.089471 0.146392 0.574483 O\n0.189655 0.646392 0.074483 O\n0.910529 0.853608 0.425517 O\n0.402613 0.591074 0.918299 O\n0.911986 0.908926 0.581701 O\n0.597387 0.408926 0.081701 O\n0.088014 0.091074 0.418299 O\n0.574947 0.183052 0.958794 O\n0.716794 0.316948 0.541206 O\n0.425053 0.816948 0.041206 O\n0.283206 0.683052 0.458794 O\n0.302305 0.385840 0.852445 O\n0.540590 0.114160 0.647555 O\n0.697695 0.614160 0.147555 O\n0.459410 0.885840 0.352445 O\n",
            "nsites": 90,
            "nelements": 4,
            "elements": [
                "Ca",
                "H",
                "I",
                "O"
            ],
            "chemical_system": "Ca-H-I-O",
            "density": 2.2586885783007724,
            "density_atomic": 0.07446676259085235,
            "volume": 1208.592892569977,
            "volume_molar": 8.087018356213289,
            "formula_full": "Ca4 H52 I8 O26",
            "formula_reduced": "Ca2H26I4O13",
            "formula_anonymous": "A2B4C13D26",
            "energy": -447.70438014,
            "energy_per_atom": -4.974493112666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -426.81038014,
            "band_gap": 3.8187,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.1709877,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:20.301000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1025489",
            "created_at": "2022-09-04T14:43:42.164568Z",
            "structure_string": "Sm4 Si4\n1.0\n3.901735 0.000000 0.000000\n0.000000 5.842478 0.000000\n0.000000 0.000000 8.159845\nSm Si\n4 4\ndirect\n0.250000 0.614540 0.179565 Sm\n0.750000 0.385460 0.820435 Sm\n0.750000 0.114540 0.320435 Sm\n0.250000 0.885460 0.679565 Sm\n0.250000 0.125199 0.036614 Si\n0.750000 0.874801 0.963386 Si\n0.750000 0.625199 0.463386 Si\n0.250000 0.374801 0.536614 Si\n",
            "nsites": 8,
            "nelements": 2,
            "elements": [
                "Sm",
                "Si"
            ],
            "chemical_system": "Si-Sm",
            "density": 6.372031659335902,
            "density_atomic": 0.04300839370335274,
            "volume": 186.01020198939344,
            "volume_molar": 14.00224523970199,
            "formula_full": "Sm4 Si4",
            "formula_reduced": "SmSi",
            "formula_anonymous": "AB",
            "energy": -46.63723845,
            "energy_per_atom": -5.82965480625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -46.92123845,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006388,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:20.775000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-558206",
            "created_at": "2022-09-04T14:43:43.574583Z",
            "structure_string": "K9 U6 Bi1 O24\n1.0\n8.767100 0.000000 0.000000\n0.000000 8.767100 0.000000\n0.000000 0.000000 8.767100\nK U Bi O\n9 6 1 24\ndirect\n0.000000 0.000000 0.000000 K\n0.752347 0.752347 0.752347 K\n0.247653 0.247653 0.752347 K\n0.752347 0.247653 0.247653 K\n0.247653 0.247653 0.247653 K\n0.247653 0.752347 0.247653 K\n0.752347 0.247653 0.752347 K\n0.247653 0.752347 0.752347 K\n0.752347 0.752347 0.247653 K\n0.000000 0.000000 0.500000 U\n0.000000 0.500000 0.000000 U\n0.500000 0.000000 0.000000 U\n0.500000 0.500000 0.000000 U\n0.000000 0.500000 0.500000 U\n0.500000 0.000000 0.500000 U\n0.500000 0.500000 0.500000 Bi\n0.284978 0.000000 0.000000 O\n0.500000 0.254955 0.000000 O\n0.000000 0.715022 0.000000 O\n0.500000 0.000000 0.254955 O\n0.500000 0.500000 0.230652 O\n0.000000 0.500000 0.254955 O\n0.000000 0.284978 0.000000 O\n0.254955 0.000000 0.500000 O\n0.500000 0.500000 0.769348 O\n0.745045 0.000000 0.500000 O\n0.000000 0.500000 0.745045 O\n0.500000 0.000000 0.745045 O\n0.715022 0.000000 0.000000 O\n0.000000 0.745045 0.500000 O\n0.500000 0.769348 0.500000 O\n0.500000 0.230652 0.500000 O\n0.000000 0.254955 0.500000 O\n0.769348 0.500000 0.500000 O\n0.254955 0.500000 0.000000 O\n0.745045 0.500000 0.000000 O\n0.000000 0.000000 0.284978 O\n0.500000 0.745045 0.000000 O\n0.230652 0.500000 0.500000 O\n0.000000 0.000000 0.715022 O\n",
            "nsites": 40,
            "nelements": 4,
            "elements": [
                "K",
                "U",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-K-O-U",
            "density": 5.847677005483054,
            "density_atomic": 0.059359756469068534,
            "volume": 673.8572120127109,
            "volume_molar": 10.145157457204268,
            "formula_full": "K9 U6 Bi1 O24",
            "formula_reduced": "K9U6BiO24",
            "formula_anonymous": "AB6C9D24",
            "energy": -323.89914043,
            "energy_per_atom": -8.09747851075,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -307.41114043,
            "band_gap": 1.7912000000000003,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0227918,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:14.531000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-725218",
            "created_at": "2022-09-04T14:43:42.805016Z",
            "structure_string": "K2 P2 O8\n1.0\n-3.887992 3.887992 3.579340\n3.887992 -3.887992 3.579340\n3.887992 3.887992 -3.579340\nK P O\n2 2 8\ndirect\n0.750000 0.250000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.250000 0.750000 0.500000 P\n0.000000 0.000000 0.000000 P\n0.288180 0.636248 0.671816 O\n0.285568 0.113752 0.151931 O\n0.964432 0.616364 0.328184 O\n0.961820 0.133636 0.848069 O\n0.383636 0.711820 0.348069 O\n0.886248 0.038180 0.171816 O\n0.363752 0.035568 0.651931 O\n0.866364 0.714432 0.828184 O\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "K",
                "P",
                "O"
            ],
            "chemical_system": "K-O-P",
            "density": 2.0572919996047583,
            "density_atomic": 0.05544566231690745,
            "volume": 216.42811175042547,
            "volume_molar": 10.8613379448506,
            "formula_full": "K2 P2 O8",
            "formula_reduced": "KPO4",
            "formula_anonymous": "ABC4",
            "energy": -77.18287695,
            "energy_per_atom": -6.431906412499999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -71.68687695,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.000011,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:22.801000Z",
            "spacegroup": 122
        },
        {
            "id": "mp-1201281",
            "created_at": "2022-09-04T14:43:50.014984Z",
            "structure_string": "Cs4 Np4 Mo4 O28\n1.0\n0.000000 -8.198976 0.000000\n-9.448569 0.000000 0.000000\n0.000000 0.000000 -10.543912\nCs Np Mo O\n4 4 4 28\ndirect\n0.500000 0.750000 0.066879 Cs\n0.000000 0.750000 0.433121 Cs\n0.500000 0.250000 0.933121 Cs\n0.000000 0.250000 0.566879 Cs\n0.250000 0.068988 0.250000 Np\n0.750000 0.431012 0.250000 Np\n0.750000 0.931012 0.750000 Np\n0.250000 0.568988 0.750000 Np\n0.000000 0.750000 0.045900 Mo\n0.500000 0.750000 0.454100 Mo\n0.000000 0.250000 0.954100 Mo\n0.500000 0.250000 0.545900 Mo\n0.438818 0.053471 0.159878 O\n0.561182 0.446529 0.159878 O\n0.061182 0.053471 0.340122 O\n0.938818 0.446529 0.340122 O\n0.561182 0.946529 0.840122 O\n0.438818 0.553471 0.840122 O\n0.938818 0.946529 0.659878 O\n0.061182 0.553471 0.659878 O\n0.136687 0.851337 0.145478 O\n0.863313 0.648663 0.145478 O\n0.363313 0.851337 0.354522 O\n0.636687 0.648663 0.354522 O\n0.863313 0.148663 0.854522 O\n0.136687 0.351337 0.854522 O\n0.636687 0.148663 0.645478 O\n0.363313 0.351337 0.645478 O\n0.878911 0.865487 0.949685 O\n0.121089 0.634513 0.949685 O\n0.621089 0.865487 0.550315 O\n0.378911 0.634513 0.550315 O\n0.121089 0.134513 0.050315 O\n0.878911 0.365487 0.050315 O\n0.378911 0.134513 0.449685 O\n0.621089 0.365487 0.449685 O\n0.250000 0.267430 0.250000 O\n0.750000 0.232570 0.250000 O\n0.750000 0.732570 0.750000 O\n0.250000 0.767430 0.750000 O\n",
            "nsites": 40,
            "nelements": 4,
            "elements": [
                "Cs",
                "Np",
                "Mo",
                "O"
            ],
            "chemical_system": "Cs-Mo-Np-O",
            "density": 4.698835106459909,
            "density_atomic": 0.04897027745226996,
            "volume": 816.8220006306263,
            "volume_molar": 12.2975426591561,
            "formula_full": "Cs4 Np4 Mo4 O28",
            "formula_reduced": "CsNpMoO7",
            "formula_anonymous": "ABCD7",
            "energy": -337.41857436,
            "energy_per_atom": -8.435464359,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -305.37457436,
            "band_gap": 1.3526,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.000928,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:20.805000Z",
            "spacegroup": 52
        },
        {
            "id": "mp-542139",
            "created_at": "2022-09-04T14:43:43.686502Z",
            "structure_string": "Mn4 P8 O24\n1.0\n4.293078 6.126509 0.000000\n-4.293078 6.126509 0.000000\n0.000000 5.035778 9.012856\nMn P O\n4 8 24\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.542500 0.457500 0.750000 Mn\n0.457500 0.542500 0.250000 Mn\n0.801232 0.813111 0.693651 P\n0.186889 0.198768 0.806349 P\n0.198768 0.186889 0.306349 P\n0.813111 0.801232 0.193651 P\n0.758235 0.224556 0.477080 P\n0.775444 0.241765 0.022920 P\n0.241765 0.775444 0.522920 P\n0.224556 0.758235 0.977080 P\n0.035152 0.801701 0.655681 O\n0.198299 0.964848 0.844319 O\n0.964848 0.198299 0.344319 O\n0.801701 0.035152 0.155681 O\n0.734853 0.996603 0.560052 O\n0.003397 0.265147 0.939948 O\n0.265147 0.003397 0.439948 O\n0.996603 0.734853 0.060052 O\n0.695461 0.851881 0.838639 O\n0.148119 0.304539 0.661361 O\n0.304539 0.148119 0.161361 O\n0.851881 0.695461 0.338639 O\n0.780632 0.629454 0.676103 O\n0.370546 0.219368 0.823897 O\n0.219368 0.370546 0.323897 O\n0.629454 0.780632 0.176103 O\n0.786826 0.305072 0.579915 O\n0.694928 0.213174 0.920085 O\n0.213174 0.694928 0.420085 O\n0.305072 0.786826 0.079915 O\n0.407002 0.667674 0.588824 O\n0.332326 0.592998 0.911176 O\n0.592998 0.332326 0.411176 O\n0.667674 0.407002 0.088824 O\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Mn",
                "P",
                "O"
            ],
            "chemical_system": "Mn-O-P",
            "density": 2.9824535209577854,
            "density_atomic": 0.07593259073818047,
            "volume": 474.10472433542895,
            "volume_molar": 7.930903847024863,
            "formula_full": "Mn4 P8 O24",
            "formula_reduced": "Mn(PO3)2",
            "formula_anonymous": "AB2C6",
            "energy": -292.1550239,
            "energy_per_atom": -8.115417330555555,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -268.9950239,
            "band_gap": 4.1103,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:22.021000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-23626",
            "created_at": "2022-09-04T14:43:52.095107Z",
            "structure_string": "Rb4 Li8 I12 O36\n1.0\n11.410129 0.000000 0.000000\n0.000000 8.420242 0.000000\n0.000000 4.107235 10.686667\nRb Li I O\n4 8 12 36\ndirect\n0.455606 0.711571 0.338657 Rb\n0.955606 0.288429 0.161343 Rb\n0.544394 0.288429 0.661343 Rb\n0.044394 0.711571 0.838657 Rb\n0.215915 0.626450 0.139553 Li\n0.715915 0.373550 0.360447 Li\n0.784085 0.373550 0.860447 Li\n0.284085 0.626450 0.639553 Li\n0.210735 0.016410 0.152647 Li\n0.710735 0.983590 0.347353 Li\n0.789265 0.983590 0.847353 Li\n0.289265 0.016410 0.652647 Li\n0.131992 0.916464 0.438308 I\n0.631992 0.083536 0.061692 I\n0.868008 0.083536 0.561692 I\n0.368008 0.916464 0.938308 I\n0.182116 0.409370 0.453998 I\n0.682116 0.590630 0.046002 I\n0.817884 0.590630 0.546002 I\n0.317884 0.409370 0.953998 I\n0.447364 0.226519 0.320017 I\n0.947364 0.773481 0.179983 I\n0.552636 0.773481 0.679983 I\n0.052636 0.226519 0.820017 I\n0.079545 0.132570 0.416647 O\n0.579545 0.867430 0.083353 O\n0.920455 0.867430 0.583353 O\n0.420455 0.132570 0.916647 O\n0.795094 0.140279 0.408733 O\n0.295094 0.859721 0.091267 O\n0.257173 0.974076 0.330704 O\n0.204906 0.859721 0.591267 O\n0.458341 0.955103 0.669992 O\n0.958341 0.044897 0.830008 O\n0.541659 0.044897 0.330008 O\n0.041659 0.955103 0.169992 O\n0.456081 0.650081 0.617033 O\n0.956081 0.349919 0.882967 O\n0.543919 0.349919 0.382967 O\n0.043919 0.650081 0.117033 O\n0.536921 0.651756 0.847574 O\n0.036921 0.348244 0.652426 O\n0.463079 0.348244 0.152426 O\n0.963079 0.651756 0.347574 O\n0.288220 0.258808 0.552618 O\n0.788220 0.741192 0.947382 O\n0.711780 0.741192 0.447382 O\n0.211780 0.258808 0.052618 O\n0.238314 0.464759 0.804352 O\n0.738314 0.535241 0.695648 O\n0.761686 0.535241 0.195648 O\n0.261686 0.464759 0.304352 O\n0.275746 0.598497 0.988229 O\n0.775746 0.401503 0.511771 O\n0.724254 0.401503 0.011771 O\n0.224254 0.598497 0.488229 O\n0.242827 0.974076 0.830704 O\n0.742827 0.025924 0.669296 O\n0.757173 0.025924 0.169296 O\n0.704906 0.140279 0.908733 O\n",
            "nsites": 60,
            "nelements": 4,
            "elements": [
                "Rb",
                "Li",
                "I",
                "O"
            ],
            "chemical_system": "I-Li-O-Rb",
            "density": 4.037165067443927,
            "density_atomic": 0.05843779837296819,
            "volume": 1026.7327255736323,
            "volume_molar": 10.30521499383811,
            "formula_full": "Rb4 Li8 I12 O36",
            "formula_reduced": "RbLi2(IO3)3",
            "formula_anonymous": "AB2C3D9",
            "energy": -299.71179285000005,
            "energy_per_atom": -4.995196547500001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -274.97979285,
            "band_gap": 3.7571,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:21.559000Z",
            "spacegroup": 14
        }
    ]
}