GET /third-parties/MatprojStructure/?format=api&ordering=-is_gap_direct&page=27
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_gap_direct&page=28",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_gap_direct&page=26",
    "results": [
        {
            "id": "mp-1205325",
            "created_at": "2022-09-04T14:46:42.676978Z",
            "structure_string": "K2 Na4 Al2 H12\n1.0\n5.663375 0.000000 0.000000\n0.000000 5.584450 0.000000\n0.000000 0.008518 7.987579\nK Na Al H\n2 4 2 12\ndirect\n0.981051 0.241049 0.499512 K\n0.481051 0.758951 0.500488 K\n0.038953 0.249888 0.999843 Na\n0.538953 0.750112 0.000157 Na\n0.502315 0.252871 0.759039 Na\n0.002315 0.747129 0.240961 Na\n0.499471 0.239542 0.233301 Al\n0.999471 0.760458 0.766699 Al\n0.509779 0.290054 0.456982 H\n0.009779 0.709946 0.543018 H\n0.471356 0.170326 0.021404 H\n0.971356 0.829674 0.978596 H\n0.818371 0.502384 0.798408 H\n0.318371 0.497616 0.201592 H\n0.187128 0.009219 0.739795 H\n0.687128 0.990781 0.260205 H\n0.752685 0.421888 0.199563 H\n0.252685 0.578112 0.800437 H\n0.248891 0.059492 0.269236 H\n0.748891 0.940508 0.730764 H\n",
            "nsites": 20,
            "nelements": 4,
            "elements": [
                "K",
                "Na",
                "Al",
                "H"
            ],
            "chemical_system": "Al-H-K-Na",
            "density": 1.5526869460297388,
            "density_atomic": 0.07916971889798713,
            "volume": 252.62183923844265,
            "volume_molar": 7.606621374719965,
            "formula_full": "K2 Na4 Al2 H12",
            "formula_reduced": "KNa2AlH6",
            "formula_anonymous": "ABC2D6",
            "energy": -61.58814407,
            "energy_per_atom": -3.0794072034999997,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -59.44014407,
            "band_gap": 2.509,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0010365,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:50.483000Z",
            "spacegroup": 4
        },
        {
            "id": "mp-756014",
            "created_at": "2022-09-04T14:46:42.688397Z",
            "structure_string": "Ba8 Hf2 O12\n1.0\n5.307615 -5.263208 0.000000\n5.307615 5.263208 0.000000\n0.088443 0.000000 7.474244\nBa Hf O\n8 2 12\ndirect\n0.750000 0.114363 0.385637 Ba\n0.614363 0.250000 0.885637 Ba\n0.885637 0.614363 0.250000 Ba\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.114363 0.385637 0.750000 Ba\n0.385637 0.750000 0.114363 Ba\n0.250000 0.885637 0.614363 Ba\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Hf\n0.926737 0.057593 0.729973 O\n0.942407 0.270027 0.073263 O\n0.770027 0.442407 0.573263 O\n0.270027 0.073263 0.942407 O\n0.426737 0.229973 0.557593 O\n0.557593 0.426737 0.229973 O\n0.442407 0.573263 0.770027 O\n0.573263 0.770027 0.442407 O\n0.729973 0.926737 0.057593 O\n0.229973 0.557593 0.426737 O\n0.057593 0.729973 0.926737 O\n0.073263 0.942407 0.270027 O\n",
            "nsites": 22,
            "nelements": 3,
            "elements": [
                "Ba",
                "Hf",
                "O"
            ],
            "chemical_system": "Ba-Hf-O",
            "density": 6.551650398555645,
            "density_atomic": 0.052683602870390575,
            "volume": 417.5872340037799,
            "volume_molar": 11.43076864886282,
            "formula_full": "Ba8 Hf2 O12",
            "formula_reduced": "Ba4HfO6",
            "formula_anonymous": "AB4C6",
            "energy": -165.34861752,
            "energy_per_atom": -7.5158462509090915,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -157.10461752,
            "band_gap": 3.0638000000000005,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0012685,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:42.328000Z",
            "spacegroup": 167
        },
        {
            "id": "mp-1245429",
            "created_at": "2022-09-04T14:46:42.644968Z",
            "structure_string": "Mg2 Zr2 N4\n1.0\n4.494042 -0.000019 0.000045\n-0.000019 4.494042 0.000045\n-2.247020 -2.247019 4.629252\nMg Zr N\n2 2 4\ndirect\n0.375001 0.124999 0.750000 Mg\n0.624999 0.875001 0.250000 Mg\n0.124999 0.375002 0.250000 Zr\n0.875001 0.624998 0.750000 Zr\n0.883805 0.133798 0.767606 N\n0.116195 0.866202 0.232394 N\n0.366202 0.616196 0.732394 N\n0.633798 0.383804 0.267606 N\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Mg",
                "Zr",
                "N"
            ],
            "chemical_system": "Mg-N-Zr",
            "density": 5.098823726709677,
            "density_atomic": 0.08556589329225295,
            "volume": 93.49519641752296,
            "volume_molar": 7.038015415127138,
            "formula_full": "Mg2 Zr2 N4",
            "formula_reduced": "MgZrN2",
            "formula_anonymous": "ABC2",
            "energy": -65.7241424,
            "energy_per_atom": -8.2155178,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -64.2801424,
            "band_gap": 0.5047000000000006,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 2e-07,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:49.759000Z",
            "spacegroup": 141
        },
        {
            "id": "mp-1110796",
            "created_at": "2022-09-04T14:46:39.387697Z",
            "structure_string": "Rb2 Ag1 Mo1 Cl6\n1.0\n0.000000 5.206424 5.206424\n5.206424 0.000000 5.206424\n5.206424 5.206424 0.000000\nRb Ag Mo Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Mo\n0.762784 0.237216 0.237216 Cl\n0.237216 0.237216 0.762784 Cl\n0.237216 0.762784 0.762784 Cl\n0.237216 0.762784 0.237216 Cl\n0.762784 0.237216 0.762784 Cl\n0.762784 0.762784 0.237216 Cl\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Rb",
                "Ag",
                "Mo",
                "Cl"
            ],
            "chemical_system": "Ag-Cl-Mo-Rb",
            "density": 3.45605092959688,
            "density_atomic": 0.03542838901006623,
            "volume": 282.2595178448196,
            "volume_molar": 16.998065473112355,
            "formula_full": "Rb2 Ag1 Mo1 Cl6",
            "formula_reduced": "Rb2AgMoCl6",
            "formula_anonymous": "ABC2D6",
            "energy": -42.70611299,
            "energy_per_atom": -4.2706112990000005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -39.02211299,
            "band_gap": 1.0147000000000002,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 2.9985798,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:37.362000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-777547",
            "created_at": "2022-09-04T14:46:42.689127Z",
            "structure_string": "Li4 V2 P2 H2 O10\n1.0\n5.395417 0.000000 0.000000\n-0.402390 5.583522 0.000000\n-2.496006 -2.624689 6.826045\nLi V P H O\n4 2 2 2 10\ndirect\n0.465874 0.130393 0.832386 Li\n0.793655 0.425823 0.800883 Li\n0.206345 0.574177 0.199117 Li\n0.534126 0.869607 0.167614 Li\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.668931 0.374797 0.228838 P\n0.331069 0.625203 0.771162 P\n0.339491 0.076876 0.358708 H\n0.660509 0.923124 0.641292 H\n0.816275 0.061411 0.724150 O\n0.730254 0.221618 0.367517 O\n0.332896 0.338057 0.668771 O\n0.379391 0.253146 0.072764 O\n0.861548 0.351159 0.113509 O\n0.138452 0.648841 0.886491 O\n0.620609 0.746854 0.927236 O\n0.667104 0.661943 0.331229 O\n0.269746 0.778382 0.632483 O\n0.183725 0.938589 0.275850 O\n",
            "nsites": 20,
            "nelements": 5,
            "elements": [
                "Li",
                "V",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "H-Li-O-P-V",
            "density": 2.8553829908268993,
            "density_atomic": 0.0972585075632247,
            "volume": 205.6375375387971,
            "volume_molar": 6.1918909829921,
            "formula_full": "Li4 V2 P2 H2 O10",
            "formula_reduced": "Li2VPHO5",
            "formula_anonymous": "ABCD2E5",
            "energy": -140.37149802000002,
            "energy_per_atom": -7.018574901000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -130.10149802,
            "band_gap": 1.4109999999999996,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 5.9995587,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:48.132000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1233899",
            "created_at": "2022-09-04T14:46:39.143011Z",
            "structure_string": "Mg1 Tl2 Pb16 Br18 O8\n1.0\n8.482053 0.032710 0.120161\n0.047323 12.601601 -0.043934\n0.182672 -0.042653 12.800738\nMg Tl Pb Br O\n1 2 16 18 8\ndirect\n0.809280 0.363988 0.906567 Mg\n0.661889 0.756822 0.749122 Tl\n0.330234 0.253255 0.248472 Tl\n0.874711 0.285261 0.113463 Pb\n0.355272 0.186960 0.610626 Pb\n0.188507 0.671132 0.018813 Pb\n0.626642 0.393035 0.667336 Pb\n0.653754 0.128627 0.797485 Pb\n0.643161 0.805848 0.382901 Pb\n0.171317 0.832640 0.475567 Pb\n0.822443 0.979039 0.164041 Pb\n0.362836 0.610501 0.301295 Pb\n0.165891 0.479466 0.649607 Pb\n0.818894 0.162119 0.504450 Pb\n0.358111 0.885276 0.195433 Pb\n0.354914 0.317252 0.873325 Pb\n0.187233 0.022653 0.835039 Pb\n0.654503 0.691333 0.113604 Pb\n0.825941 0.517646 0.330812 Pb\n0.890891 0.866916 0.961946 Br\n0.142694 0.127358 0.044810 Br\n0.115901 0.468133 0.134984 Br\n0.584633 0.437464 0.128333 Br\n0.397917 0.572464 0.859134 Br\n0.396240 0.626893 0.558729 Br\n0.110284 0.361573 0.455024 Br\n0.118338 0.035546 0.367255 Br\n0.592272 0.066195 0.366913 Br\n0.003442 0.754069 0.249171 Br\n0.872433 0.965148 0.626466 Br\n0.381273 0.927501 0.631029 Br\n0.892208 0.551634 0.849773 Br\n0.598041 0.367479 0.421602 Br\n0.399490 0.872706 0.932041 Br\n0.879890 0.630997 0.531146 Br\n0.604524 0.124521 0.061059 Br\n0.994365 0.257232 0.752025 Br\n0.625589 0.205794 0.629671 O\n0.376404 0.145638 0.791131 O\n0.380447 0.702866 0.139057 O\n0.633401 0.642293 0.293764 O\n0.630189 0.856332 0.202583 O\n0.362328 0.358827 0.689981 O\n0.622344 0.311819 0.836545 O\n0.372678 0.794749 0.355162 O\n",
            "nsites": 45,
            "nelements": 5,
            "elements": [
                "Mg",
                "Tl",
                "Pb",
                "Br",
                "O"
            ],
            "chemical_system": "Br-Mg-O-Pb-Tl",
            "density": 6.451374726027132,
            "density_atomic": 0.03289653096347809,
            "volume": 1367.9253915848833,
            "volume_molar": 18.30630946067175,
            "formula_full": "Mg1 Tl2 Pb16 Br18 O8",
            "formula_reduced": "MgTl2Pb16(Br9O4)2",
            "formula_anonymous": "AB2C8D16E18",
            "energy": -186.82989559,
            "energy_per_atom": -4.151775457555556,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -181.33389559,
            "band_gap": 1.0173,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:38.423000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1190401",
            "created_at": "2022-09-04T14:46:38.291027Z",
            "structure_string": "Ba4 Ag4 Sb4 S12\n1.0\n4.103301 4.740535 0.000000\n-4.103301 4.740535 0.000000\n0.000000 3.472286 17.067989\nBa Ag Sb S\n4 4 4 12\ndirect\n0.451417 0.202867 0.610565 Ba\n0.797133 0.548583 0.889435 Ba\n0.548583 0.797133 0.389435 Ba\n0.202867 0.451417 0.110565 Ba\n0.924893 0.075107 0.750000 Ag\n0.075107 0.924893 0.250000 Ag\n0.304861 0.695139 0.750000 Ag\n0.695139 0.304861 0.250000 Ag\n0.974563 0.687001 0.580331 Sb\n0.312999 0.025437 0.919669 Sb\n0.025437 0.312999 0.419669 Sb\n0.687001 0.974563 0.080331 Sb\n0.035837 0.494708 0.714160 S\n0.505292 0.964163 0.785840 S\n0.964163 0.505292 0.285840 S\n0.494708 0.035837 0.214160 S\n0.581671 0.695192 0.581653 S\n0.304808 0.418329 0.918347 S\n0.418329 0.304808 0.418347 S\n0.695192 0.581671 0.081653 S\n0.975528 0.063332 0.605424 S\n0.936668 0.024472 0.894576 S\n0.024472 0.936668 0.394576 S\n0.063332 0.975528 0.105424 S\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "Ba",
                "Ag",
                "Sb",
                "S"
            ],
            "chemical_system": "Ag-Ba-S-Sb",
            "density": 4.632952646874406,
            "density_atomic": 0.03614416185099433,
            "volume": 664.0076507774867,
            "volume_molar": 16.661448077912283,
            "formula_full": "Ba4 Ag4 Sb4 S12",
            "formula_reduced": "BaAgSbS3",
            "formula_anonymous": "ABCD3",
            "energy": -112.04587600000002,
            "energy_per_atom": -4.668578166666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -106.00987600000002,
            "band_gap": 1.4228999999999998,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0005821,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:41.883000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1218013",
            "created_at": "2022-09-04T14:46:51.916215Z",
            "structure_string": "Sr1 Sm3 Ni2 O8\n1.0\n2.667422 -6.208116 0.000000\n2.667422 6.208116 0.000000\n0.000000 0.000000 5.380376\nSr Sm Ni O\n1 3 2 8\ndirect\n0.644365 0.355635 0.000000 Sr\n0.136813 0.863187 0.500000 Sm\n0.861238 0.138762 0.500000 Sm\n0.363526 0.636474 0.000000 Sm\n0.503470 0.496530 0.500000 Ni\n0.003716 0.996284 0.000000 Ni\n0.318628 0.681372 0.500000 O\n0.836241 0.163759 0.000000 O\n0.177727 0.822273 0.000000 O\n0.676899 0.323101 0.500000 O\n0.244196 0.255507 0.739267 O\n0.744493 0.755804 0.260733 O\n0.744493 0.755804 0.739267 O\n0.244196 0.255507 0.260733 O\n",
            "nsites": 14,
            "nelements": 4,
            "elements": [
                "Sr",
                "Sm",
                "Ni",
                "O"
            ],
            "chemical_system": "Ni-O-Sm-Sr",
            "density": 7.306618076977402,
            "density_atomic": 0.07856585864240496,
            "volume": 178.19445038743166,
            "volume_molar": 7.665086163456786,
            "formula_full": "Sr1 Sm3 Ni2 O8",
            "formula_reduced": "SrSm3(NiO4)2",
            "formula_anonymous": "AB2C3D8",
            "energy": -106.58685203,
            "energy_per_atom": -7.6133465735714285,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -96.00885203,
            "band_gap": 0.5934000000000004,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 2.9997884,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:08.185000Z",
            "spacegroup": 38
        },
        {
            "id": "mp-1517218",
            "created_at": "2022-09-04T14:46:38.017710Z",
            "structure_string": "Sr2 Tb1 Sb1 O6\n1.0\n0.000000 -4.207982 -4.207982\n4.207982 0.000000 -4.207982\n4.207982 -4.207982 0.000000\nSr Tb Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Sb\n0.763073 0.236927 0.236927 O\n0.236927 0.763073 0.763073 O\n0.763073 0.236927 0.763073 O\n0.236927 0.763073 0.236927 O\n0.763073 0.763073 0.236927 O\n0.236927 0.236927 0.763073 O\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Sr",
                "Tb",
                "Sb",
                "O"
            ],
            "chemical_system": "O-Sb-Sr-Tb",
            "density": 6.149998226294275,
            "density_atomic": 0.06710399618296138,
            "volume": 149.02242144766836,
            "volume_molar": 8.97433998353902,
            "formula_full": "Sr2 Tb1 Sb1 O6",
            "formula_reduced": "Sr2TbSbO6",
            "formula_anonymous": "ABC2D6",
            "energy": -72.31627177,
            "energy_per_atom": -7.231627177,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -68.19427177,
            "band_gap": 3.4629000000000003,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:43.628000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-557730",
            "created_at": "2022-09-04T14:46:51.913426Z",
            "structure_string": "Dy2 P6 O18\n1.0\n3.458785 7.221880 0.000000\n-3.458785 7.221880 0.000000\n0.000000 6.175017 8.199049\nDy P O\n2 6 18\ndirect\n0.206017 0.688913 0.754386 Dy\n0.688913 0.206017 0.254386 Dy\n0.186522 0.388199 0.595884 P\n0.622821 0.782585 0.987548 P\n0.194615 0.992013 0.921086 P\n0.388199 0.186522 0.095884 P\n0.782585 0.622821 0.487548 P\n0.992013 0.194615 0.421086 P\n0.188386 0.154434 0.255820 O\n0.351265 0.301366 0.452326 O\n0.933550 0.532641 0.590011 O\n0.448391 0.922606 0.888922 O\n0.521264 0.227249 0.125810 O\n0.301366 0.351265 0.952326 O\n0.843304 0.771419 0.863247 O\n0.807655 0.191994 0.418837 O\n0.227249 0.521264 0.625810 O\n0.034595 0.082241 0.063415 O\n0.616615 0.566140 0.107608 O\n0.771419 0.843304 0.363247 O\n0.191994 0.807655 0.918837 O\n0.566140 0.616615 0.607608 O\n0.154434 0.188386 0.755820 O\n0.082241 0.034595 0.563415 O\n0.922606 0.448391 0.388922 O\n0.532641 0.933550 0.090011 O\n",
            "nsites": 26,
            "nelements": 3,
            "elements": [
                "Dy",
                "P",
                "O"
            ],
            "chemical_system": "Dy-O-P",
            "density": 3.2384493946004334,
            "density_atomic": 0.0634754861420516,
            "volume": 409.60694561384963,
            "volume_molar": 9.487348779847181,
            "formula_full": "Dy2 P6 O18",
            "formula_reduced": "Dy(PO3)3",
            "formula_anonymous": "AB3C9",
            "energy": -209.11171545,
            "energy_per_atom": -8.042758286538461,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -196.74571545,
            "band_gap": 5.5999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.000939,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:40.437000Z",
            "spacegroup": 9
        },
        {
            "id": "mp-1519406",
            "created_at": "2022-09-04T14:46:51.990427Z",
            "structure_string": "Sr4 Pr4 Eu4 Nb4 O24\n1.0\n8.543427 0.000000 0.000000\n0.000000 8.553094 0.000000\n0.000000 0.000000 8.555928\nSr Pr Eu Nb O\n4 4 4 4 24\ndirect\n-0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n0.500000 -0.000000 0.000000 Sr\n-0.000000 -0.000000 0.500000 Sr\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.250000 Pr\n0.750000 0.250000 0.750000 Pr\n0.250000 0.750000 0.750000 Pr\n0.500000 -0.000000 0.500000 Eu\n-0.000000 0.500000 -0.000000 Eu\n-0.000000 -0.000000 -0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.750000 0.750000 0.750000 Nb\n0.250000 0.250000 0.750000 Nb\n0.250000 0.750000 0.250000 Nb\n0.750000 0.250000 0.250000 Nb\n0.978674 0.200756 0.288738 O\n0.021326 0.799244 0.288738 O\n0.021326 0.200756 0.711262 O\n0.978674 0.799244 0.711262 O\n0.288421 0.978906 0.200776 O\n0.288421 0.021094 0.799224 O\n0.711579 0.021094 0.200776 O\n0.711579 0.978906 0.799224 O\n0.198925 0.290232 0.978774 O\n0.801075 0.290232 0.021226 O\n0.198925 0.709768 0.021226 O\n0.801075 0.709768 0.978774 O\n0.521326 0.299244 0.211262 O\n0.478674 0.700756 0.211262 O\n0.478674 0.299244 0.788738 O\n0.521326 0.700756 0.788738 O\n0.211579 0.521094 0.299224 O\n0.211579 0.478906 0.700776 O\n0.788421 0.478906 0.299224 O\n0.788421 0.521094 0.700776 O\n0.301075 0.209768 0.521226 O\n0.698925 0.209768 0.478774 O\n0.301075 0.790232 0.478774 O\n0.698925 0.790232 0.521226 O\n",
            "nsites": 40,
            "nelements": 5,
            "elements": [
                "Sr",
                "Pr",
                "Eu",
                "Nb",
                "O"
            ],
            "chemical_system": "Eu-Nb-O-Pr-Sr",
            "density": 6.0492261938716405,
            "density_atomic": 0.0639790094911242,
            "volume": 625.2050526907453,
            "volume_molar": 9.412682077917212,
            "formula_full": "Sr4 Pr4 Eu4 Nb4 O24",
            "formula_reduced": "SrPrEuNbO6",
            "formula_anonymous": "ABCDE6",
            "energy": -358.70622557,
            "energy_per_atom": -8.967655639250001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -342.21822557,
            "band_gap": 0.1548999999999996,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 0.0397268,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:40.073000Z",
            "spacegroup": 48
        },
        {
            "id": "mp-1212042",
            "created_at": "2022-09-04T14:46:55.155464Z",
            "structure_string": "Ta24 Al8 Co2 C2\n1.0\n-15.255150 -15.255150 0.000000\n-15.255150 -0.000000 -15.255150\n0.000000 -15.255150 -15.255150\nTa Al Co C\n24 8 2 2\ndirect\n0.566720 0.566720 0.186757 Ta\n0.679804 0.186757 0.566720 Ta\n0.186757 0.679804 0.566720 Ta\n0.566720 0.186757 0.566720 Ta\n0.070196 0.183280 0.563243 Ta\n0.183280 0.183280 0.563243 Ta\n0.566720 0.566720 0.679804 Ta\n0.186757 0.566720 0.679804 Ta\n0.183280 0.563243 0.183280 Ta\n0.070196 0.563243 0.183280 Ta\n0.679804 0.566720 0.186757 Ta\n0.183280 0.070196 0.183280 Ta\n0.563243 0.070196 0.183280 Ta\n0.566720 0.679804 0.566720 Ta\n0.563243 0.183280 0.070196 Ta\n0.183280 0.183280 0.070196 Ta\n0.186757 0.566720 0.566720 Ta\n0.566720 0.186757 0.679804 Ta\n0.679804 0.566720 0.566720 Ta\n0.566720 0.679804 0.186757 Ta\n0.183280 0.563243 0.070196 Ta\n0.563243 0.183280 0.183280 Ta\n0.183280 0.070196 0.563243 Ta\n0.070196 0.183280 0.183280 Ta\n0.791425 0.791425 0.791425 Al\n0.625725 0.791425 0.791425 Al\n0.791425 0.625725 0.791425 Al\n0.124275 0.958575 0.958575 Al\n0.958575 0.958575 0.958575 Al\n0.791425 0.791425 0.625725 Al\n0.958575 0.124275 0.958575 Al\n0.958575 0.958575 0.124275 Al\n0.000000 -0.000000 -0.000000 Co\n0.750000 0.750000 0.750000 Co\n0.500000 0.500000 0.500000 C\n0.250000 0.250000 0.250000 C\n",
            "nsites": 36,
            "nelements": 4,
            "elements": [
                "Ta",
                "Al",
                "Co",
                "C"
            ],
            "chemical_system": "Al-C-Co-Ta",
            "density": 1.099291109894514,
            "density_atomic": 0.00507017626865766,
            "volume": 7100.344858331932,
            "volume_molar": 118.7757671706032,
            "formula_full": "Ta24 Al8 Co2 C2",
            "formula_reduced": "Ta12Al4CoC",
            "formula_anonymous": "ABC4D12",
            "energy": -202.64043222,
            "energy_per_atom": -5.628900895,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -202.64043222,
            "band_gap": 0.0449999999999999,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 32.5523778,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:47.392000Z",
            "spacegroup": 227
        }
    ]
}