GET /third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=12176
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_magnetic&page=12177",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=12175",
    "results": [
        {
            "id": "mp-1520882",
            "created_at": "2022-09-04T14:40:58.685795Z",
            "structure_string": "Ba1 Na1 Zr1 Bi1 O6\n1.0\n0.000000 -4.224988 -4.224988\n4.224988 0.000000 -4.224988\n4.224988 -4.224988 0.000000\nBa Na Zr Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Bi\n0.748817 0.251183 0.251183 O\n0.251183 0.748817 0.748817 O\n0.748817 0.251183 0.748817 O\n0.251183 0.748817 0.251183 O\n0.748817 0.748817 0.251183 O\n0.251183 0.251183 0.748817 O\n",
            "nsites": 10,
            "nelements": 5,
            "elements": [
                "Ba",
                "Na",
                "Zr",
                "Bi",
                "O"
            ],
            "chemical_system": "Ba-Bi-Na-O-Zr",
            "density": 6.126628432058739,
            "density_atomic": 0.06629695242606609,
            "volume": 150.83649600865036,
            "volume_molar": 9.083586107092707,
            "formula_full": "Ba1 Na1 Zr1 Bi1 O6",
            "formula_reduced": "BaNaZrBiO6",
            "formula_anonymous": "ABCDE6",
            "energy": -70.91793678,
            "energy_per_atom": -7.091793678,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -66.79593678,
            "band_gap": 1.0145,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:09.220000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-1188262",
            "created_at": "2022-09-04T14:40:58.702670Z",
            "structure_string": "Tb4 Sc4 S12\n1.0\n6.410963 0.000000 0.000000\n0.000000 7.047235 0.000000\n0.000000 0.000000 9.555817\nTb Sc S\n4 4 12\ndirect\n0.540851 0.399261 0.750000 Tb\n0.459149 0.600739 0.250000 Tb\n0.040851 0.100739 0.250000 Tb\n0.959149 0.899261 0.750000 Tb\n0.000000 0.500000 0.000000 Sc\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n0.825101 0.186844 0.570488 S\n0.174899 0.813156 0.070488 S\n0.325101 0.313156 0.070488 S\n0.674899 0.686844 0.570488 S\n0.825101 0.186844 0.929512 S\n0.174899 0.813156 0.429512 S\n0.325101 0.313156 0.429512 S\n0.674899 0.686844 0.929512 S\n0.856975 0.453250 0.250000 S\n0.143025 0.546750 0.750000 S\n0.356975 0.046750 0.750000 S\n0.643025 0.953250 0.250000 S\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Tb",
                "Sc",
                "S"
            ],
            "chemical_system": "S-Sc-Tb",
            "density": 4.6166917849178715,
            "density_atomic": 0.04632550338806701,
            "volume": 431.7276346132873,
            "volume_molar": 12.999622928115322,
            "formula_full": "Tb4 Sc4 S12",
            "formula_reduced": "TbScS3",
            "formula_anonymous": "ABC3",
            "energy": -139.33524367,
            "energy_per_atom": -6.9667621835,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -133.29924367,
            "band_gap": 1.7696,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005432,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:00.334000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1209601",
            "created_at": "2022-09-04T14:40:58.710811Z",
            "structure_string": "Pt2 C4 N4 O8\n1.0\n10.613198 0.000000 0.000000\n0.000000 3.792092 0.000000\n0.000000 0.290267 6.580572\nPt C N O\n2 4 4 8\ndirect\n0.250000 0.630793 0.862406 Pt\n0.750000 0.369207 0.137594 Pt\n0.323282 0.897646 0.256458 C\n0.676718 0.102354 0.743542 C\n0.823282 0.102354 0.743542 C\n0.176718 0.897646 0.256458 C\n0.886063 0.470522 0.283353 N\n0.113937 0.529478 0.716647 N\n0.386063 0.529478 0.716647 N\n0.613937 0.470522 0.283353 N\n0.374207 0.786130 0.089196 O\n0.625793 0.213870 0.910804 O\n0.874207 0.213870 0.910804 O\n0.125793 0.786130 0.089196 O\n0.383795 0.005094 0.399740 O\n0.616205 0.994906 0.600260 O\n0.883795 0.994906 0.600260 O\n0.116205 0.005094 0.399740 O\n",
            "nsites": 18,
            "nelements": 4,
            "elements": [
                "Pt",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "C-N-O-Pt",
            "density": 3.9013347941414804,
            "density_atomic": 0.06796475068910639,
            "volume": 264.843169694509,
            "volume_molar": 8.860682484582775,
            "formula_full": "Pt2 C4 N4 O8",
            "formula_reduced": "PtC2(NO2)2",
            "formula_anonymous": "AB2C2D4",
            "energy": -123.7925855,
            "energy_per_atom": -6.8773658611111115,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -116.8525855,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.1776209,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:57.930000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-1238117",
            "created_at": "2022-09-04T14:40:58.775380Z",
            "structure_string": "Hg2 H8 C24 O6 F16\n1.0\n7.394295 0.000000 0.000000\n-1.439568 -8.166051 0.000000\n-1.942767 0.294353 -11.562053\nHg H C O F\n2 8 24 6 16\ndirect\n0.340269 0.055452 0.682537 Hg\n0.659731 0.944548 0.317463 Hg\n0.109893 0.337912 0.831685 H\n0.890107 0.662088 0.168315 H\n0.642864 0.536046 0.256061 H\n0.357136 0.463954 0.743939 H\n0.042261 0.330820 0.699282 H\n0.957739 0.669180 0.300718 H\n0.314430 0.581300 0.149208 H\n0.685570 0.418700 0.850792 H\n0.577572 0.251443 0.521631 C\n0.422428 0.748557 0.478369 C\n0.292328 0.332819 0.362662 C\n0.707672 0.667181 0.637338 C\n0.475721 0.393320 0.346514 C\n0.524279 0.606680 0.653486 C\n0.904576 0.207848 0.039884 C\n0.095424 0.792152 0.960116 C\n0.875200 0.110753 0.134443 C\n0.124800 0.889247 0.865557 C\n0.396654 0.190615 0.537917 C\n0.603346 0.809385 0.462083 C\n0.617788 0.348603 0.428887 C\n0.382212 0.651397 0.571113 C\n0.704775 0.082710 0.173250 C\n0.295225 0.917290 0.826750 C\n0.563379 0.154437 0.111674 C\n0.436621 0.845563 0.888326 C\n0.589496 0.251402 0.017004 C\n0.410504 0.748598 0.982996 C\n0.238605 0.719663 0.021621 C\n0.761395 0.280337 0.978379 C\n0.256436 0.233264 0.455050 C\n0.743564 0.766736 0.544950 C\n0.154711 0.342238 0.757390 O\n0.845289 0.657762 0.242610 O\n0.506974 0.490154 0.255745 O\n0.493026 0.509846 0.744255 O\n0.204933 0.628957 0.114443 O\n0.795067 0.371043 0.885557 O\n0.274593 0.781037 0.399757 F\n0.725407 0.218963 0.600243 F\n0.072980 0.233145 0.004509 F\n0.927020 0.766855 0.995491 F\n0.391303 0.128709 0.142812 F\n0.608697 0.871291 0.857188 F\n0.201879 0.592394 0.580674 F\n0.798121 0.407606 0.419326 F\n0.074108 0.180094 0.464396 F\n0.925892 0.819906 0.535604 F\n0.149093 0.376467 0.288258 F\n0.850907 0.623533 0.711742 F\n0.552655 0.681022 0.042051 F\n0.447345 0.318978 0.957949 F\n0.019737 0.042510 0.188866 F\n0.980263 0.957490 0.811134 F\n",
            "nsites": 56,
            "nelements": 5,
            "elements": [
                "Hg",
                "H",
                "C",
                "O",
                "F"
            ],
            "chemical_system": "C-F-H-Hg-O",
            "density": 2.610347952603999,
            "density_atomic": 0.0802128985601118,
            "volume": 698.1420819499924,
            "volume_molar": 7.50769622853984,
            "formula_full": "Hg2 H8 C24 O6 F16",
            "formula_reduced": "HgH4C12O3F8",
            "formula_anonymous": "AB3C4D8E12",
            "energy": -358.86197334,
            "energy_per_atom": -6.408249523928572,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -347.34797334,
            "band_gap": 3.4759,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.001193,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:23.382000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-558603",
            "created_at": "2022-09-04T14:40:58.781003Z",
            "structure_string": "K4 Si8 O18\n1.0\n5.001404 0.000000 0.000000\n0.147774 8.515683 0.000000\n0.088794 4.043569 11.641800\nK Si O\n4 8 18\ndirect\n0.744050 0.588623 0.348958 K\n0.255950 0.411377 0.651042 K\n0.236412 0.935033 0.138582 K\n0.763588 0.064967 0.861418 K\n0.716963 0.182191 0.552312 Si\n0.207350 0.441214 0.145659 Si\n0.212778 0.197623 0.398772 Si\n0.283037 0.817809 0.447688 Si\n0.787222 0.802377 0.601228 Si\n0.792650 0.558786 0.854341 Si\n0.708220 0.668219 0.063584 Si\n0.291780 0.331781 0.936416 Si\n0.716342 0.654540 0.719982 O\n0.905166 0.226495 0.434206 O\n0.397877 0.601635 0.095542 O\n0.283658 0.345460 0.280018 O\n0.406699 0.212609 0.500502 O\n0.094834 0.773505 0.565794 O\n0.593301 0.787391 0.499498 O\n0.756533 0.689871 0.925414 O\n0.602123 0.398365 0.904458 O\n0.243467 0.310129 0.074586 O\n0.897700 0.507188 0.140262 O\n0.247695 0.019830 0.376807 O\n0.102300 0.492812 0.859738 O\n0.768083 0.292741 0.630481 O\n0.752305 0.980170 0.623193 O\n0.231917 0.707259 0.369519 O\n0.247857 0.166158 0.908420 O\n0.752143 0.833842 0.091580 O\n",
            "nsites": 30,
            "nelements": 3,
            "elements": [
                "K",
                "Si",
                "O"
            ],
            "chemical_system": "K-O-Si",
            "density": 2.2407157174628733,
            "density_atomic": 0.06050478155098965,
            "volume": 495.8285813282025,
            "volume_molar": 9.953165031965145,
            "formula_full": "K4 Si8 O18",
            "formula_reduced": "K2Si4O9",
            "formula_anonymous": "A2B4C9",
            "energy": -228.91875708,
            "energy_per_atom": -7.630625236,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -216.55275708,
            "band_gap": 4.4376,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 3e-07,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:09.213000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1224390",
            "created_at": "2022-09-04T14:40:58.712754Z",
            "structure_string": "Hf1 Au9\n1.0\n2.073296 4.697689 0.000000\n-2.073296 4.697689 0.000000\n0.000000 0.091283 9.391039\nHf Au\n1 9\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Au\n0.702008 0.702008 0.900768 Au\n0.200371 0.200371 0.404124 Au\n0.799629 0.799629 0.595876 Au\n0.297992 0.297992 0.099232 Au\n0.400771 0.400771 0.796748 Au\n0.905537 0.905537 0.301519 Au\n0.094463 0.094463 0.698481 Au\n0.599229 0.599229 0.203252 Au\n",
            "nsites": 10,
            "nelements": 2,
            "elements": [
                "Hf",
                "Au"
            ],
            "chemical_system": "Au-Hf",
            "density": 17.71165939274938,
            "density_atomic": 0.054665180758340766,
            "volume": 182.9318015832996,
            "volume_molar": 11.016410586150212,
            "formula_full": "Hf1 Au9",
            "formula_reduced": "HfAu9",
            "formula_anonymous": "AB9",
            "energy": -41.30761816,
            "energy_per_atom": -4.130761816,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -41.30761816,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0018465,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:58.518000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1227691",
            "created_at": "2022-09-04T14:40:58.716188Z",
            "structure_string": "Be46 Os7\n1.0\n-2.095526 -3.629465 0.000020\n-2.095526 3.629465 -0.000020\n0.000000 0.000185 -32.845715\nBe Os\n46 7\ndirect\n0.999998 0.000002 0.123595 Be\n0.999998 0.000002 0.457950 Be\n0.000005 0.999995 0.792378 Be\n0.999995 0.000005 0.209956 Be\n0.999994 0.000006 0.540720 Be\n0.000001 0.999999 0.875174 Be\n0.666666 0.333334 0.114892 Be\n0.666665 0.333335 0.447805 Be\n0.666657 0.333343 0.781603 Be\n0.666674 0.333326 0.218757 Be\n0.666667 0.333333 0.551636 Be\n0.666662 0.333338 0.885373 Be\n0.833694 0.166306 0.061225 Be\n0.836880 0.163120 0.395857 Be\n0.838297 0.161703 0.730558 Be\n0.332601 0.166309 0.061226 Be\n0.326227 0.163118 0.395858 Be\n0.323390 0.161705 0.730558 Be\n0.833691 0.667399 0.061226 Be\n0.836882 0.673773 0.395858 Be\n0.838295 0.676610 0.730558 Be\n0.837222 0.162778 0.270925 Be\n0.838125 0.161875 0.602782 Be\n0.833526 0.166474 0.938624 Be\n0.325538 0.162786 0.270922 Be\n0.323733 0.161879 0.602780 Be\n0.332929 0.166484 0.938624 Be\n0.837214 0.674462 0.270922 Be\n0.838121 0.676267 0.602780 Be\n0.833516 0.667071 0.938624 Be\n0.333316 0.666684 0.032493 Be\n0.333325 0.666675 0.365214 Be\n0.333326 0.666674 0.697163 Be\n0.333327 0.666673 0.301161 Be\n0.333324 0.666676 0.635892 Be\n0.333315 0.666685 0.968095 Be\n0.495257 0.504743 0.167286 Be\n0.495554 0.504446 0.499472 Be\n0.495478 0.504522 0.833316 Be\n0.009502 0.504742 0.167285 Be\n0.008891 0.504447 0.499472 Be\n0.009049 0.504526 0.833317 Be\n0.495258 0.990498 0.167285 Be\n0.495553 0.991109 0.499472 Be\n0.495474 0.990951 0.833317 Be\n0.666710 0.333290 0.000102 Be\n0.333332 0.666668 0.103167 Os\n0.333331 0.666669 0.433877 Os\n0.333328 0.666672 0.768786 Os\n0.333331 0.666669 0.232418 Os\n0.333326 0.666674 0.563933 Os\n0.333329 0.666671 0.897951 Os\n0.999999 0.000001 0.666446 Os\n",
            "nsites": 53,
            "nelements": 2,
            "elements": [
                "Be",
                "Os"
            ],
            "chemical_system": "Be-Os",
            "density": 5.803517926770718,
            "density_atomic": 0.10607950569009812,
            "volume": 499.6252542393514,
            "volume_molar": 5.677006808075776,
            "formula_full": "Be46 Os7",
            "formula_reduced": "Be46Os7",
            "formula_anonymous": "A7B46",
            "energy": -254.49919295,
            "energy_per_atom": -4.8018715650943395,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -254.49919295,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 4.1e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:20.627000Z",
            "spacegroup": 156
        },
        {
            "id": "mp-569886",
            "created_at": "2022-09-04T14:40:58.721169Z",
            "structure_string": "K1 In9 Ni2\n1.0\n4.420865 -7.657162 0.000000\n4.420865 7.657162 0.000000\n0.000000 0.000000 4.365317\nK In Ni\n1 9 2\ndirect\n0.000000 0.000000 0.000000 K\n0.791870 0.583740 0.500000 In\n0.583740 0.791870 0.500000 In\n0.500000 0.500000 0.000000 In\n0.208130 0.416260 0.500000 In\n0.791870 0.208130 0.500000 In\n0.208130 0.791870 0.500000 In\n0.416260 0.208130 0.500000 In\n0.500000 0.000000 0.000000 In\n0.000000 0.500000 0.000000 In\n0.333333 0.666667 0.000000 Ni\n0.666667 0.333333 0.000000 Ni\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "K",
                "In",
                "Ni"
            ],
            "chemical_system": "In-K-Ni",
            "density": 6.685276636356864,
            "density_atomic": 0.04060321055126486,
            "volume": 295.5431316163785,
            "volume_molar": 14.831686160375314,
            "formula_full": "K1 In9 Ni2",
            "formula_reduced": "KIn9Ni2",
            "formula_anonymous": "AB2C9",
            "energy": -38.69159503,
            "energy_per_atom": -3.2242995858333336,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -38.69159503,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000149,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:13.397000Z",
            "spacegroup": 191
        },
        {
            "id": "mp-1032894",
            "created_at": "2022-09-04T14:40:58.738107Z",
            "structure_string": "Ca1 Mg6 Zn1 O8\n1.0\n8.655163 0.000000 0.000000\n-0.000000 4.376691 0.000000\n0.000000 0.000000 4.376691\nCa Mg Zn O\n1 6 1 8\ndirect\n-0.000000 0.000000 -0.000000 Ca\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.255815 0.000000 0.500000 Mg\n0.744185 -0.000000 0.500000 Mg\n0.255815 0.500000 0.000000 Mg\n0.744185 0.500000 -0.000000 Mg\n0.000000 0.500000 0.500000 Zn\n0.264343 0.000000 0.000000 O\n0.735657 -0.000000 -0.000000 O\n0.253050 0.500000 0.500000 O\n0.746950 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
            "nsites": 16,
            "nelements": 4,
            "elements": [
                "Ca",
                "Mg",
                "Zn",
                "O"
            ],
            "chemical_system": "Ca-Mg-O-Zn",
            "density": 3.7990839083851378,
            "density_atomic": 0.09650569873893897,
            "volume": 165.7933180016879,
            "volume_molar": 6.240191862960041,
            "formula_full": "Ca1 Mg6 Zn1 O8",
            "formula_reduced": "CaMg6ZnO8",
            "formula_anonymous": "ABC6D8",
            "energy": -98.02154327,
            "energy_per_atom": -6.126346454375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -92.52554327,
            "band_gap": 4.271500000000001,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:12.454000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1195588",
            "created_at": "2022-09-04T14:40:58.742649Z",
            "structure_string": "Sm2 H18 C10 N4 O16\n1.0\n3.433502 -9.356636 0.000000\n3.433502 9.356636 0.000000\n0.000000 0.000000 8.758465\nSm H C N O\n2 18 10 4 16\ndirect\n0.357674 0.642326 0.250000 Sm\n0.642326 0.357674 0.750000 Sm\n0.857959 0.841763 0.171048 H\n0.841763 0.857959 0.828952 H\n0.142041 0.158237 0.671048 H\n0.158237 0.142041 0.328952 H\n0.862752 0.677025 0.104632 H\n0.677025 0.862752 0.895368 H\n0.137248 0.322975 0.604632 H\n0.322975 0.137248 0.395368 H\n0.816950 0.183050 0.250000 H\n0.183050 0.816950 0.750000 H\n0.153997 0.846003 0.250000 H\n0.846003 0.153997 0.750000 H\n0.272063 0.272063 0.000000 H\n0.727937 0.727937 0.500000 H\n0.418111 0.993019 0.052141 H\n0.993019 0.418111 0.947859 H\n0.581889 0.006981 0.552141 H\n0.006981 0.581889 0.447859 H\n0.876322 0.123678 0.250000 C\n0.123678 0.876322 0.750000 C\n0.095257 0.904743 0.250000 C\n0.904743 0.095257 0.750000 C\n0.433353 0.433353 0.000000 C\n0.566647 0.566647 0.500000 C\n0.492914 0.977935 0.972456 C\n0.977935 0.492914 0.027544 C\n0.507086 0.022065 0.472456 C\n0.022065 0.507086 0.527544 C\n0.928700 0.803062 0.167887 N\n0.803062 0.928700 0.832113 N\n0.071300 0.196938 0.667887 N\n0.196938 0.071300 0.332113 N\n0.472260 0.570002 0.072023 O\n0.570002 0.472260 0.927977 O\n0.527740 0.429998 0.572023 O\n0.429998 0.527740 0.427977 O\n0.070511 0.254489 0.235549 O\n0.254489 0.070511 0.764451 O\n0.929489 0.745511 0.735549 O\n0.745511 0.929489 0.264451 O\n0.498549 0.860229 0.012284 O\n0.860229 0.498549 0.987716 O\n0.501451 0.139771 0.512284 O\n0.139771 0.501451 0.487716 O\n0.080601 0.567325 0.151289 O\n0.567325 0.080601 0.848711 O\n0.919399 0.432675 0.651289 O\n0.432675 0.919399 0.348711 O\n",
            "nsites": 50,
            "nelements": 5,
            "elements": [
                "Sm",
                "H",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "C-H-N-O-Sm",
            "density": 2.215983653151518,
            "density_atomic": 0.08884949641845515,
            "volume": 562.7493909983982,
            "volume_molar": 6.7779120903932615,
            "formula_full": "Sm2 H18 C10 N4 O16",
            "formula_reduced": "SmH9C5(NO4)2",
            "formula_anonymous": "AB2C5D8E9",
            "energy": -338.34368283,
            "energy_per_atom": -6.7668736566,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -325.90768283,
            "band_gap": 4.6311,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0013967,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:08.502000Z",
            "spacegroup": 20
        },
        {
            "id": "mp-1186214",
            "created_at": "2022-09-04T14:40:58.745915Z",
            "structure_string": "Nb3 Cu1\n1.0\n0.000000 3.238506 3.238506\n3.238506 0.000000 3.238506\n3.238506 3.238506 0.000000\nNb Cu\n3 1\ndirect\n0.250000 0.250000 0.250000 Nb\n0.750000 0.750000 0.750000 Nb\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Cu\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Nb",
                "Cu"
            ],
            "chemical_system": "Cu-Nb",
            "density": 8.366573908887565,
            "density_atomic": 0.0588838066017196,
            "volume": 67.93039089771052,
            "volume_molar": 10.227159396695887,
            "formula_full": "Nb3 Cu1",
            "formula_reduced": "Nb3Cu",
            "formula_anonymous": "AB3",
            "energy": -33.71873677,
            "energy_per_atom": -8.4296841925,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -33.71873677,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002179,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:20.863000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1014910",
            "created_at": "2022-09-04T14:40:58.757028Z",
            "structure_string": "Cr4 N8\n1.0\n-2.195123 2.378415 8.333957\n2.195123 -2.378415 8.333957\n2.195123 2.378415 -8.333957\nCr N\n4 8\ndirect\n0.939286 0.689286 0.250000 Cr\n0.560714 0.810714 0.750000 Cr\n0.688667 0.438667 0.250000 Cr\n0.811333 0.061333 0.750000 Cr\n0.798660 0.127846 0.178053 N\n0.449793 0.620607 0.321947 N\n0.050207 0.372154 0.170814 N\n0.701340 0.879393 0.329186 N\n0.250000 0.922589 0.672589 N\n0.750000 0.577411 0.827411 N\n0.942576 0.750000 0.692576 N\n0.557424 0.250000 0.807424 N\n",
            "nsites": 12,
            "nelements": 2,
            "elements": [
                "Cr",
                "N"
            ],
            "chemical_system": "Cr-N",
            "density": 3.053464696444435,
            "density_atomic": 0.06894829069310655,
            "volume": 174.04347344030327,
            "volume_molar": 8.73428579514023,
            "formula_full": "Cr4 N8",
            "formula_reduced": "CrN2",
            "formula_anonymous": "AB2",
            "energy": -104.60817817,
            "energy_per_atom": -8.717348180833334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -101.72017817,
            "band_gap": 0.1566,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.63e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:12Z",
            "spacegroup": 24
        }
    ]
}