GET /third-parties/MatprojStructure/?format=api&ordering=-updated_at&page=10
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=-updated_at&page=11",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-updated_at&page=9",
    "results": [
        {
            "id": "mp-1193021",
            "created_at": "2022-09-04T14:48:16.176158Z",
            "structure_string": "Cs12 Sn4 Te12\n1.0\n7.395355 8.962940 0.000000\n-7.395355 8.962940 0.000000\n0.000000 1.146431 10.489482\nCs Sn Te\n12 4 12\ndirect\n0.603950 0.396050 0.250000 Cs\n0.396050 0.603950 0.750000 Cs\n0.914245 0.085755 0.250000 Cs\n0.085755 0.914245 0.750000 Cs\n0.786189 0.403134 0.863805 Cs\n0.596866 0.213811 0.636195 Cs\n0.213811 0.596866 0.136195 Cs\n0.403134 0.786189 0.363805 Cs\n0.754883 0.807770 0.685575 Cs\n0.192230 0.245117 0.814425 Cs\n0.245117 0.192230 0.314425 Cs\n0.807770 0.754883 0.185575 Cs\n0.917233 0.434393 0.454790 Sn\n0.565607 0.082767 0.045210 Sn\n0.082767 0.565607 0.545210 Sn\n0.434393 0.917233 0.954790 Sn\n0.047332 0.581116 0.809148 Te\n0.418884 0.952668 0.690852 Te\n0.952668 0.418884 0.190852 Te\n0.581116 0.047332 0.309148 Te\n0.050231 0.789231 0.423191 Te\n0.210769 0.949769 0.076809 Te\n0.949769 0.210769 0.576809 Te\n0.789231 0.050231 0.923191 Te\n0.687955 0.549092 0.522751 Te\n0.450908 0.312045 0.977249 Te\n0.312045 0.450908 0.477249 Te\n0.549092 0.687955 0.022751 Te\n",
            "nsites": 28,
            "nelements": 3,
            "elements": [
                "Cs",
                "Sn",
                "Te"
            ],
            "chemical_system": "Cs-Sn-Te",
            "density": 4.299988153738161,
            "density_atomic": 0.020135595499056292,
            "volume": 1390.5722332032492,
            "volume_molar": 29.9079347332054,
            "formula_full": "Cs12 Sn4 Te12",
            "formula_reduced": "Cs3SnTe3",
            "formula_anonymous": "AB3C3",
            "energy": -93.8641776,
            "energy_per_atom": -3.3522920571428574,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -88.8001776,
            "band_gap": 1.1241,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 4.95e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:40:06.722000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-780435",
            "created_at": "2022-09-04T14:48:16.471277Z",
            "structure_string": "Li20 Co8 P12 O48\n1.0\n8.792960 0.000000 0.000000\n0.000000 8.699978 0.000000\n0.000000 0.151293 12.411619\nLi Co P O\n20 8 12 48\ndirect\n0.520744 0.182729 0.100408 Li\n0.093562 0.177998 0.445816 Li\n0.732513 0.107325 0.496962 Li\n0.657094 0.154960 0.724836 Li\n0.770047 0.047551 0.934238 Li\n0.270047 0.952449 0.065762 Li\n0.157094 0.845040 0.275164 Li\n0.232513 0.892675 0.503038 Li\n0.593562 0.822002 0.554184 Li\n0.020744 0.817271 0.899592 Li\n0.987009 0.696148 0.591834 Li\n0.405850 0.674203 0.943985 Li\n0.771636 0.624339 0.006660 Li\n0.681446 0.597046 0.243116 Li\n0.738361 0.550759 0.445975 Li\n0.238361 0.449241 0.554025 Li\n0.181446 0.402954 0.756884 Li\n0.271636 0.375661 0.993340 Li\n0.905850 0.325797 0.056015 Li\n0.487009 0.303852 0.408166 Li\n0.530615 0.991674 0.348780 Co\n0.030615 0.008326 0.651220 Co\n0.450224 0.000609 0.860275 Co\n0.950224 0.999391 0.139725 Co\n0.044693 0.500356 0.351742 Co\n0.544693 0.499644 0.648258 Co\n0.944060 0.505899 0.857843 Co\n0.444060 0.494101 0.142157 Co\n0.247363 0.200570 0.243428 P\n0.393534 0.142561 0.599703 P\n0.100345 0.142606 0.906150 P\n0.893534 0.857439 0.400297 P\n0.600345 0.857394 0.093850 P\n0.747363 0.799430 0.756572 P\n0.247881 0.702634 0.740869 P\n0.399407 0.647807 0.398451 P\n0.107874 0.645582 0.097880 P\n0.899407 0.352193 0.601549 P\n0.607874 0.354418 0.902120 P\n0.747881 0.297366 0.259131 P\n0.861652 0.208210 0.191734 O\n0.863569 0.177654 0.619727 O\n0.680465 0.205760 0.356561 O\n0.589313 0.184029 0.941075 O\n0.373567 0.159891 0.326320 O\n0.226890 0.099601 0.568489 O\n0.421088 0.125097 0.720663 O\n0.975591 0.122269 0.994430 O\n0.258545 0.087807 0.944385 O\n0.179103 0.047987 0.199015 O\n0.047520 0.046176 0.809810 O\n0.510448 0.041820 0.536641 O\n0.010448 0.958180 0.463359 O\n0.547520 0.953824 0.190190 O\n0.679103 0.952013 0.800985 O\n0.758545 0.912193 0.055615 O\n0.921088 0.874903 0.279337 O\n0.475591 0.877731 0.005570 O\n0.726890 0.900399 0.431511 O\n0.873567 0.840109 0.673680 O\n0.180465 0.794240 0.643439 O\n0.363569 0.822346 0.380273 O\n0.089313 0.815971 0.058925 O\n0.361652 0.791790 0.808266 O\n0.628186 0.708424 0.694146 O\n0.918667 0.686665 0.437476 O\n0.613642 0.680649 0.113831 O\n0.815879 0.710359 0.855731 O\n0.119900 0.649940 0.820231 O\n0.266482 0.590058 0.056143 O\n0.519386 0.629301 0.490590 O\n0.108751 0.636343 0.221428 O\n0.248381 0.569057 0.428983 O\n0.317644 0.550582 0.693634 O\n0.473306 0.572575 0.299062 O\n0.980760 0.548262 0.045090 O\n0.480760 0.451738 0.954910 O\n0.973306 0.427425 0.700938 O\n0.817644 0.449418 0.306366 O\n0.748381 0.430943 0.571017 O\n0.019386 0.370699 0.509410 O\n0.608751 0.363657 0.778572 O\n0.766482 0.409942 0.943857 O\n0.619900 0.350060 0.179769 O\n0.418667 0.313335 0.562524 O\n0.315879 0.289641 0.144269 O\n0.113642 0.319351 0.886169 O\n0.128186 0.291576 0.305854 O\n",
            "nsites": 88,
            "nelements": 4,
            "elements": [
                "Li",
                "Co",
                "P",
                "O"
            ],
            "chemical_system": "Co-Li-O-P",
            "density": 3.0604905359127277,
            "density_atomic": 0.0926831924775116,
            "volume": 949.4709628323612,
            "volume_molar": 6.497554301942281,
            "formula_full": "Li20 Co8 P12 O48",
            "formula_reduced": "Li5Co2(PO4)3",
            "formula_anonymous": "A2B3C5D12",
            "energy": -605.10865631,
            "energy_per_atom": -6.8762347307954546,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -559.02865631,
            "band_gap": 2.7404,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.3272347,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:40:06.705000Z",
            "spacegroup": 4
        },
        {
            "id": "mp-1096470",
            "created_at": "2022-09-04T14:48:15.565282Z",
            "structure_string": "Zr2 Pd1 Pt1\n1.0\n-5.004725 5.595588 7.922515\n5.004725 -5.595588 7.922515\n5.004725 5.595588 -7.922515\nZr Pd Pt\n2 1 1\ndirect\n0.000000 0.253307 0.253307 Zr\n0.000000 0.746693 0.746693 Zr\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pt\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Zr",
                "Pd",
                "Pt"
            ],
            "chemical_system": "Pd-Pt-Zr",
            "density": 0.9055290264037418,
            "density_atomic": 0.004507243082912031,
            "volume": 887.4604556308261,
            "volume_molar": 133.61029456856423,
            "formula_full": "Zr2 Pd1 Pt1",
            "formula_reduced": "Zr2PdPt",
            "formula_anonymous": "ABC2",
            "energy": -18.64105735,
            "energy_per_atom": -4.6602643375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -18.64105735,
            "band_gap": 0.0480999999999998,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:40:06.668000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-758488",
            "created_at": "2022-09-04T14:48:14.217597Z",
            "structure_string": "Li2 P6 W4 O26\n1.0\n7.101596 5.420887 0.000000\n-7.101596 5.420887 0.000000\n0.000000 5.218788 7.218190\nLi P W O\n2 6 4 26\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.488282 0.511718 0.250000 P\n0.848388 0.260055 0.060325 P\n0.260055 0.848388 0.560325 P\n0.739945 0.151612 0.439675 P\n0.151612 0.739945 0.939675 P\n0.511718 0.488282 0.750000 P\n0.172060 0.338982 0.170921 W\n0.661018 0.827940 0.329079 W\n0.338982 0.172060 0.670921 W\n0.827940 0.661018 0.829079 W\n0.151579 0.599939 0.096890 O\n0.603228 0.501376 0.082290 O\n0.036976 0.299262 0.032902 O\n0.555683 0.709546 0.206559 O\n0.197727 0.143624 0.232239 O\n0.745646 0.070393 0.094199 O\n0.400061 0.848421 0.403110 O\n0.856376 0.802273 0.267761 O\n0.070393 0.745646 0.594199 O\n0.290454 0.444317 0.293441 O\n0.738894 0.261106 0.250000 O\n0.501376 0.603228 0.582290 O\n0.299262 0.036976 0.532902 O\n0.700738 0.963024 0.467098 O\n0.498624 0.396772 0.417710 O\n0.261106 0.738894 0.750000 O\n0.709546 0.555683 0.706559 O\n0.929607 0.254354 0.405801 O\n0.143624 0.197727 0.732239 O\n0.599939 0.151579 0.596890 O\n0.254354 0.929607 0.905801 O\n0.802273 0.856376 0.767761 O\n0.444317 0.290454 0.793441 O\n0.963024 0.700738 0.967098 O\n0.396772 0.498624 0.917710 O\n0.848421 0.400061 0.903110 O\n",
            "nsites": 38,
            "nelements": 4,
            "elements": [
                "Li",
                "P",
                "W",
                "O"
            ],
            "chemical_system": "Li-O-P-W",
            "density": 4.036844270382357,
            "density_atomic": 0.06837525748256487,
            "volume": 555.7565908938578,
            "volume_molar": 8.807485312264594,
            "formula_full": "Li2 P6 W4 O26",
            "formula_reduced": "LiP3W2O13",
            "formula_anonymous": "AB2C3D13",
            "energy": -308.97575937,
            "energy_per_atom": -8.130941036052631,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -273.36175937,
            "band_gap": 3.3778,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.982753,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:40:06.634000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1078724",
            "created_at": "2022-09-04T14:48:15.351358Z",
            "structure_string": "Li2 As2 Se4\n1.0\n2.773286 6.256998 0.000000\n-2.773286 6.256998 0.000000\n0.000000 2.193633 5.192219\nLi As Se\n2 2 4\ndirect\n0.738598 0.261282 0.497474 Li\n0.261282 0.738598 0.997474 Li\n0.563094 0.008741 0.163760 As\n0.008741 0.563094 0.663760 As\n0.516426 0.970064 0.762609 Se\n0.970064 0.516426 0.262609 Se\n0.749674 0.229280 0.010866 Se\n0.229280 0.749674 0.510866 Se\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Li",
                "As",
                "Se"
            ],
            "chemical_system": "As-Li-Se",
            "density": 4.419295937247821,
            "density_atomic": 0.044396252611156276,
            "volume": 180.19538878805483,
            "volume_molar": 13.564524944807399,
            "formula_full": "Li2 As2 Se4",
            "formula_reduced": "LiAsSe2",
            "formula_anonymous": "ABC2",
            "energy": -33.43721801,
            "energy_per_atom": -4.17965225125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -31.54921801,
            "band_gap": 0.7504,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0013257,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:40:06.620000Z",
            "spacegroup": 9
        },
        {
            "id": "mp-1184120",
            "created_at": "2022-09-04T14:48:13.930081Z",
            "structure_string": "Dy1 Tm1 Ir2\n1.0\n0.000000 3.408650 3.408650\n3.408650 0.000000 3.408650\n3.408650 3.408650 0.000000\nDy Tm Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Dy",
                "Tm",
                "Ir"
            ],
            "chemical_system": "Dy-Ir-Tm",
            "density": 15.007382374614707,
            "density_atomic": 0.05049899848482168,
            "volume": 79.20949167342927,
            "volume_molar": 11.925267709635975,
            "formula_full": "Dy1 Tm1 Ir2",
            "formula_reduced": "DyTmIr2",
            "formula_anonymous": "ABC2",
            "energy": -30.29481142,
            "energy_per_atom": -7.573702855,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -30.29481142,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001334,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:40:06.575000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-696127",
            "created_at": "2022-09-04T14:48:15.028988Z",
            "structure_string": "Li20 Ge2 P4 Se24\n1.0\n9.287435 0.000000 0.000000\n0.000000 9.287435 0.000000\n0.000000 0.000000 13.368956\nLi Ge P Se\n20 2 4 24\ndirect\n0.230281 0.273591 0.294890 Li\n0.769719 0.726409 0.294890 Li\n0.273591 0.769719 0.794890 Li\n0.726409 0.230281 0.794890 Li\n0.230281 0.726409 0.294890 Li\n0.769719 0.273591 0.294890 Li\n0.273591 0.230281 0.794890 Li\n0.726409 0.769719 0.794890 Li\n0.000000 0.000000 0.941117 Li\n0.000000 0.000000 0.441117 Li\n0.500000 0.500000 0.546868 Li\n0.500000 0.500000 0.046868 Li\n0.258940 0.726181 0.035718 Li\n0.741060 0.273819 0.035718 Li\n0.273819 0.258940 0.535718 Li\n0.726181 0.741060 0.535718 Li\n0.273819 0.741060 0.535718 Li\n0.726181 0.258940 0.535718 Li\n0.258940 0.273819 0.035718 Li\n0.741060 0.726181 0.035718 Li\n0.500000 0.500000 0.801220 Ge\n0.500000 0.500000 0.301220 Ge\n0.000000 0.000000 0.685374 P\n0.000000 0.000000 0.185374 P\n0.000000 0.500000 0.503824 P\n0.500000 0.000000 0.003824 P\n0.000000 0.699485 0.409448 Se\n0.000000 0.300515 0.409448 Se\n0.300515 0.000000 0.909448 Se\n0.699485 0.000000 0.909448 Se\n0.500000 0.193948 0.101292 Se\n0.500000 0.806052 0.101292 Se\n0.193948 0.500000 0.601292 Se\n0.806052 0.500000 0.601292 Se\n0.000000 0.798289 0.092834 Se\n0.000000 0.201711 0.092834 Se\n0.201711 0.000000 0.592834 Se\n0.798289 0.000000 0.592834 Se\n0.500000 0.285498 0.402976 Se\n0.500000 0.714502 0.402976 Se\n0.285498 0.500000 0.902976 Se\n0.714502 0.500000 0.902976 Se\n0.000000 0.197320 0.779199 Se\n0.000000 0.802680 0.779199 Se\n0.802680 0.000000 0.279199 Se\n0.197320 0.000000 0.279199 Se\n0.500000 0.709756 0.697435 Se\n0.500000 0.290244 0.697435 Se\n0.709756 0.500000 0.197435 Se\n0.290244 0.500000 0.197435 Se\n",
            "nsites": 50,
            "nelements": 4,
            "elements": [
                "Li",
                "Ge",
                "P",
                "Se"
            ],
            "chemical_system": "Ge-Li-P-Se",
            "density": 3.3163516601526757,
            "density_atomic": 0.043359167571818985,
            "volume": 1153.1586697826085,
            "volume_molar": 13.888967656090454,
            "formula_full": "Li20 Ge2 P4 Se24",
            "formula_reduced": "Li10Ge(PSe6)2",
            "formula_anonymous": "AB2C10D12",
            "energy": -204.91208069,
            "energy_per_atom": -4.0982416138,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -193.58408069,
            "band_gap": 1.0491,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001052,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:40:06.548000Z",
            "spacegroup": 105
        },
        {
            "id": "mp-1219669",
            "created_at": "2022-09-04T14:48:13.898731Z",
            "structure_string": "Pu2 O3\n1.0\n3.837773 0.000000 0.000000\n0.000000 3.837773 0.000000\n0.000000 0.000000 5.478734\nPu O\n2 3\ndirect\n0.500000 0.000000 0.766139 Pu\n0.000000 0.500000 0.233861 Pu\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
            "nsites": 5,
            "nelements": 2,
            "elements": [
                "Pu",
                "O"
            ],
            "chemical_system": "O-Pu",
            "density": 11.0299526250378,
            "density_atomic": 0.06196282684070938,
            "volume": 80.69354248239391,
            "volume_molar": 9.718957425040317,
            "formula_full": "Pu2 O3",
            "formula_reduced": "Pu2O3",
            "formula_anonymous": "A2B3",
            "energy": -60.33810097,
            "energy_per_atom": -12.067620194,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -58.27710097,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 9.998802,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:40:06.508000Z",
            "spacegroup": 115
        },
        {
            "id": "mp-17591",
            "created_at": "2022-09-04T14:48:14.073175Z",
            "structure_string": "Sm8 Mo4 O24\n1.0\n5.697036 8.375329 0.000000\n-5.697036 8.375329 0.000000\n0.000000 1.709482 5.251124\nSm Mo O\n8 4 24\ndirect\n0.286426 0.054683 0.619672 Sm\n0.945317 0.713574 0.880328 Sm\n0.713574 0.945317 0.380328 Sm\n0.054683 0.286426 0.119672 Sm\n0.891490 0.108510 0.750000 Sm\n0.108510 0.891490 0.250000 Sm\n0.365977 0.634023 0.750000 Sm\n0.634023 0.365977 0.250000 Sm\n0.796961 0.508920 0.559627 Mo\n0.491080 0.203039 0.940373 Mo\n0.203039 0.491080 0.440373 Mo\n0.508920 0.796961 0.059627 Mo\n0.826288 0.384292 0.864915 O\n0.615708 0.173712 0.635085 O\n0.173712 0.615708 0.135085 O\n0.384292 0.826288 0.364915 O\n0.929934 0.525979 0.261121 O\n0.474021 0.070066 0.238879 O\n0.070066 0.474021 0.738879 O\n0.525979 0.929934 0.761121 O\n0.788181 0.677806 0.636826 O\n0.322194 0.211819 0.863174 O\n0.211819 0.322194 0.363174 O\n0.677806 0.788181 0.136826 O\n0.075448 0.108705 0.922033 O\n0.891295 0.924552 0.577967 O\n0.924552 0.891295 0.077967 O\n0.108705 0.075448 0.422033 O\n0.311505 0.837168 0.915799 O\n0.162832 0.688495 0.584201 O\n0.688495 0.162832 0.084201 O\n0.837168 0.311505 0.415799 O\n0.546177 0.613623 0.017528 O\n0.386377 0.453823 0.482472 O\n0.453823 0.386377 0.982472 O\n0.613623 0.546177 0.517528 O\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Sm",
                "Mo",
                "O"
            ],
            "chemical_system": "Mo-O-Sm",
            "density": 6.5301041572626515,
            "density_atomic": 0.07184050746824386,
            "volume": 501.1100459711163,
            "volume_molar": 8.382653425244813,
            "formula_full": "Sm8 Mo4 O24",
            "formula_reduced": "Sm2MoO6",
            "formula_anonymous": "AB2C6",
            "energy": -313.03633328,
            "energy_per_atom": -8.695453702222222,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -283.74033328,
            "band_gap": 1.9718,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005235,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:40:06.494000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1210583",
            "created_at": "2022-09-04T14:48:16.162586Z",
            "structure_string": "Nd46 Cd8 Ni14\n1.0\n4.971681 -8.611205 0.000000\n4.971681 8.611205 0.000000\n0.000000 0.000000 22.527765\nNd Cd Ni\n46 8 14\ndirect\n0.206666 0.413333 0.719637 Nd\n0.206666 0.793334 0.719637 Nd\n0.793334 0.586667 0.219637 Nd\n0.586667 0.793334 0.719637 Nd\n0.793334 0.206666 0.219637 Nd\n0.413333 0.206666 0.219637 Nd\n0.792908 0.585816 0.947245 Nd\n0.792908 0.207092 0.947245 Nd\n0.207092 0.414184 0.447245 Nd\n0.414184 0.207092 0.947245 Nd\n0.207092 0.792908 0.447245 Nd\n0.585816 0.792908 0.447245 Nd\n0.210790 0.421581 0.990493 Nd\n0.210790 0.789210 0.990493 Nd\n0.789210 0.578419 0.490493 Nd\n0.578419 0.789210 0.990493 Nd\n0.789210 0.210790 0.490493 Nd\n0.421581 0.210790 0.490493 Nd\n0.872820 0.745640 0.633797 Nd\n0.872820 0.127180 0.633797 Nd\n0.127180 0.254360 0.133797 Nd\n0.254360 0.127180 0.633797 Nd\n0.127180 0.872820 0.133797 Nd\n0.745640 0.872820 0.133797 Nd\n0.457524 0.915048 0.855918 Nd\n0.457524 0.542476 0.855918 Nd\n0.542476 0.084952 0.355918 Nd\n0.084952 0.542476 0.855918 Nd\n0.542476 0.457524 0.355918 Nd\n0.915048 0.457524 0.355918 Nd\n0.000000 0.000000 0.999398 Nd\n0.000000 0.000000 0.499398 Nd\n0.460396 0.920792 0.585666 Nd\n0.460396 0.539604 0.585666 Nd\n0.539604 0.079208 0.085666 Nd\n0.079208 0.539604 0.585666 Nd\n0.539604 0.460396 0.085666 Nd\n0.920792 0.460396 0.085666 Nd\n0.796538 0.593076 0.782308 Nd\n0.796538 0.203462 0.782308 Nd\n0.203462 0.406924 0.282308 Nd\n0.406924 0.203462 0.782308 Nd\n0.203462 0.796538 0.282308 Nd\n0.593076 0.796538 0.282308 Nd\n0.666667 0.333333 0.645486 Nd\n0.333333 0.666667 0.145486 Nd\n0.000000 0.000000 0.749194 Cd\n0.000000 0.000000 0.249194 Cd\n0.106685 0.213369 0.863155 Cd\n0.106685 0.893315 0.863155 Cd\n0.893315 0.786631 0.363155 Cd\n0.786631 0.893315 0.863155 Cd\n0.893315 0.106685 0.363155 Cd\n0.213369 0.106685 0.363155 Cd\n0.521317 0.042633 0.710434 Ni\n0.521317 0.478683 0.710434 Ni\n0.478683 0.957367 0.210434 Ni\n0.957367 0.478683 0.710434 Ni\n0.478683 0.521317 0.210434 Ni\n0.042633 0.521317 0.210434 Ni\n0.666667 0.333333 0.863214 Ni\n0.333333 0.666667 0.363214 Ni\n0.142755 0.285511 0.564490 Ni\n0.142755 0.857245 0.564490 Ni\n0.857245 0.714489 0.064490 Ni\n0.714489 0.857245 0.564490 Ni\n0.857245 0.142755 0.064490 Ni\n0.285511 0.142755 0.064490 Ni\n",
            "nsites": 68,
            "nelements": 3,
            "elements": [
                "Nd",
                "Cd",
                "Ni"
            ],
            "chemical_system": "Cd-Nd-Ni",
            "density": 7.193477251249793,
            "density_atomic": 0.03525280077290965,
            "volume": 1928.9247523350045,
            "volume_molar": 17.08272996177873,
            "formula_full": "Nd46 Cd8 Ni14",
            "formula_reduced": "Nd23Cd4Ni7",
            "formula_anonymous": "A4B7C23",
            "energy": -323.44671039,
            "energy_per_atom": -4.756569270441177,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -323.44671039,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.4640096,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:40:06.479000Z",
            "spacegroup": 186
        },
        {
            "id": "mp-755114",
            "created_at": "2022-09-04T14:48:15.251001Z",
            "structure_string": "Fe6 O1 F11\n1.0\n3.405585 4.719521 0.000000\n-3.405585 4.719521 0.000000\n0.000000 2.770207 7.079620\nFe O F\n6 1 11\ndirect\n0.659597 0.642015 0.847269 Fe\n0.335234 0.326357 0.668934 Fe\n0.673643 0.664766 0.331066 Fe\n0.357985 0.340403 0.152731 Fe\n0.002282 0.997718 0.500000 Fe\n0.978835 0.021165 0.000000 Fe\n0.690798 0.309202 0.000000 O\n0.631286 0.016267 0.674868 F\n0.983733 0.368714 0.325132 F\n0.905393 0.895280 0.305132 F\n0.236488 0.238626 0.969171 F\n0.563462 0.569797 0.633338 F\n0.761374 0.763512 0.030829 F\n0.430203 0.436538 0.366662 F\n0.104720 0.094607 0.694868 F\n0.375827 0.976807 0.326396 F\n0.023193 0.624173 0.673604 F\n0.285948 0.714052 0.000000 F\n",
            "nsites": 18,
            "nelements": 3,
            "elements": [
                "Fe",
                "O",
                "F"
            ],
            "chemical_system": "F-Fe-O",
            "density": 4.086464512901977,
            "density_atomic": 0.07909388621658957,
            "volume": 227.5776404602128,
            "volume_molar": 7.613914359333736,
            "formula_full": "Fe6 O1 F11",
            "formula_reduced": "Fe6OF11",
            "formula_anonymous": "AB6C11",
            "energy": -121.06995425,
            "energy_per_atom": -6.7261085694444445,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -101.76495425,
            "band_gap": 0.2912999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 24.9999899,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:40:06.428000Z",
            "spacegroup": 5
        },
        {
            "id": "mp-759062",
            "created_at": "2022-09-04T14:48:15.575723Z",
            "structure_string": "Li2 Co2 P2 O8\n1.0\n5.163852 -0.000017 -0.040121\n-2.581941 4.709864 0.020069\n0.066382 0.000018 8.655273\nLi Co P O\n2 2 2 8\ndirect\n0.130731 0.350173 0.008482 Li\n0.780563 0.649836 0.508485 Li\n0.296852 0.667180 0.317726 Co\n0.629669 0.332815 0.817723 Co\n0.292113 0.651965 0.693792 P\n0.640147 0.348038 0.193788 P\n0.966876 0.595125 0.683200 O\n0.393612 0.602891 0.531659 O\n0.305039 0.434134 0.809142 O\n0.500322 0.954143 0.747403 O\n0.371757 0.404873 0.183201 O\n0.790721 0.397124 0.031668 O\n0.870888 0.565844 0.309143 O\n0.546171 0.045860 0.247389 O\n",
            "nsites": 14,
            "nelements": 4,
            "elements": [
                "Li",
                "Co",
                "P",
                "O"
            ],
            "chemical_system": "Co-Li-O-P",
            "density": 2.537465483345449,
            "density_atomic": 0.06650281315348956,
            "volume": 210.51741025883783,
            "volume_molar": 9.05546769292421,
            "formula_full": "Li2 Co2 P2 O8",
            "formula_reduced": "LiCoPO4",
            "formula_anonymous": "ABCD4",
            "energy": -101.38532305,
            "energy_per_atom": -7.241808789285714,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -92.61332305,
            "band_gap": 2.9922,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 6.0008082,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:40:06.417000Z",
            "spacegroup": 9
        }
    ]
}