GET /third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=12164
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=formation_energy_per_atom&page=12165",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=12163",
    "results": [
        {
            "id": "mp-1245635",
            "created_at": "2022-09-04T14:45:09.294645Z",
            "structure_string": "Mg4 Mo2 N6\n1.0\n6.231444 0.048618 0.000000\n-3.074143 5.323970 0.000000\n0.000000 0.000000 4.325854\nMg Mo N\n4 2 6\ndirect\n0.337722 0.329491 0.428667 Mg\n0.662278 0.991769 0.428667 Mg\n0.662278 0.670509 0.928667 Mg\n0.337722 0.008231 0.928667 Mg\n0.000000 0.659847 0.428667 Mo\n0.000000 0.340153 0.928667 Mo\n0.308950 0.340747 0.928667 N\n0.691050 0.031798 0.928667 N\n0.691050 0.659253 0.428667 N\n0.308950 0.968202 0.428667 N\n0.000000 0.666852 0.928667 N\n0.000000 0.333148 0.428667 N\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Mg",
                "Mo",
                "N"
            ],
            "chemical_system": "Mg-Mo-N",
            "density": 4.298063936118668,
            "density_atomic": 0.08324017415780255,
            "volume": 144.16115921683442,
            "volume_molar": 7.234656607737903,
            "formula_full": "Mg4 Mo2 N6",
            "formula_reduced": "Mg2MoN3",
            "formula_anonymous": "AB2C3",
            "energy": -88.63968717,
            "energy_per_atom": -7.3866405975000005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -86.47368717,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0007275,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:58.099000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-1013898",
            "created_at": "2022-09-04T14:45:09.304700Z",
            "structure_string": "Li2 Mo6 P6 O26\n1.0\n6.665637 0.000000 0.000000\n0.000000 7.677508 0.000000\n0.000000 1.787639 10.818748\nLi Mo P O\n2 6 6 26\ndirect\n0.750000 0.417895 0.133982 Li\n0.250000 0.582105 0.866018 Li\n0.250000 0.639501 0.202374 Mo\n0.750000 0.360499 0.797626 Mo\n0.250000 0.233961 0.451984 Mo\n0.500000 0.000000 0.000000 Mo\n0.750000 0.766039 0.548016 Mo\n0.000000 0.000000 0.000000 Mo\n0.250000 0.787168 0.481954 P\n0.750000 0.212832 0.518046 P\n0.250000 0.264859 0.773461 P\n0.750000 0.735141 0.226539 P\n0.750000 0.693303 0.877295 P\n0.250000 0.306697 0.122705 P\n0.750000 0.647189 0.742379 O\n0.563843 0.258778 0.437297 O\n0.250000 0.206863 0.648199 O\n0.555037 0.788649 0.899817 O\n0.750000 0.336382 0.620595 O\n0.750000 0.135859 0.905438 O\n0.250000 0.663618 0.379405 O\n0.055037 0.211351 0.100183 O\n0.250000 0.978748 0.411501 O\n0.750000 0.021252 0.588499 O\n0.068039 0.379145 0.799352 O\n0.250000 0.864141 0.094562 O\n0.568039 0.620855 0.200648 O\n0.750000 0.500119 0.951114 O\n0.750000 0.793137 0.351801 O\n0.444963 0.211351 0.100183 O\n0.936157 0.258778 0.437297 O\n0.436157 0.741222 0.562703 O\n0.431961 0.379145 0.799352 O\n0.250000 0.352811 0.257621 O\n0.750000 0.906876 0.122735 O\n0.250000 0.093124 0.877265 O\n0.931961 0.620855 0.200648 O\n0.944963 0.788649 0.899817 O\n0.063843 0.741222 0.562703 O\n0.250000 0.499881 0.048886 O\n",
            "nsites": 40,
            "nelements": 4,
            "elements": [
                "Li",
                "Mo",
                "P",
                "O"
            ],
            "chemical_system": "Li-Mo-O-P",
            "density": 3.5731327399397315,
            "density_atomic": 0.07224720489881,
            "volume": 553.6546369651852,
            "volume_molar": 8.335465390577612,
            "formula_full": "Li2 Mo6 P6 O26",
            "formula_reduced": "LiMo3P3O13",
            "formula_anonymous": "AB3C3D13",
            "energy": -326.46366624,
            "energy_per_atom": -8.161591656,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -289.38966624,
            "band_gap": 0.8797000000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 15.9994875,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:47.282000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-754753",
            "created_at": "2022-09-04T14:45:09.309357Z",
            "structure_string": "Li12 Mn4 P8 O32\n1.0\n0.000013 6.059660 -0.000004\n-0.183857 -0.000007 9.479227\n10.097777 0.000022 -0.198719\nLi Mn P O\n12 4 8 32\ndirect\n0.000004 0.999999 0.000003 Li\n0.000003 0.500003 0.999999 Li\n0.499997 0.999998 0.000003 Li\n0.499997 0.500002 0.000000 Li\n0.749999 0.237851 0.215321 Li\n0.749999 0.737838 0.215330 Li\n0.250002 0.262160 0.784661 Li\n0.250000 0.762147 0.784671 Li\n0.000007 0.249997 0.500002 Li\n0.999989 0.750002 0.499996 Li\n0.499992 0.249998 0.500002 Li\n0.500013 0.750002 0.499995 Li\n0.249998 0.984900 0.283287 Mn\n0.750003 0.015104 0.716745 Mn\n0.249995 0.484871 0.283255 Mn\n0.749999 0.515103 0.716737 Mn\n0.250001 0.202530 0.103698 P\n0.249995 0.702538 0.103712 P\n0.750002 0.297467 0.896288 P\n0.750000 0.797465 0.896301 P\n0.749999 0.466478 0.408817 P\n0.750004 0.966482 0.408822 P\n0.250000 0.033522 0.591191 P\n0.249998 0.533522 0.591179 P\n0.749997 0.347351 0.042544 O\n0.749999 0.847344 0.042554 O\n0.250011 0.152654 0.957442 O\n0.250003 0.652658 0.957452 O\n0.249998 0.369129 0.116758 O\n0.250002 0.869123 0.116798 O\n0.750006 0.130881 0.883219 O\n0.749996 0.630866 0.883238 O\n0.750001 0.126299 0.416347 O\n0.750003 0.626294 0.416350 O\n0.250000 0.373706 0.583645 O\n0.250002 0.873705 0.583647 O\n0.249998 0.098595 0.446867 O\n0.249996 0.598582 0.446854 O\n0.750002 0.401412 0.553140 O\n0.750004 0.901419 0.553149 O\n0.047000 0.136756 0.173847 O\n0.046989 0.636743 0.173849 O\n0.452995 0.136754 0.173853 O\n0.452991 0.636738 0.173857 O\n0.547003 0.363257 0.826136 O\n0.547005 0.863247 0.826149 O\n0.953003 0.363260 0.826140 O\n0.952998 0.863244 0.826150 O\n0.544574 0.396900 0.339921 O\n0.544576 0.896900 0.339934 O\n0.955424 0.396898 0.339918 O\n0.955437 0.896902 0.339934 O\n0.044562 0.103101 0.660074 O\n0.044570 0.603099 0.660074 O\n0.455433 0.103102 0.660072 O\n0.455426 0.603100 0.660072 O\n",
            "nsites": 56,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "P",
                "O"
            ],
            "chemical_system": "Li-Mn-O-P",
            "density": 3.0438668367078137,
            "density_atomic": 0.09658437465506585,
            "volume": 579.8039299834386,
            "volume_molar": 6.235108713502592,
            "formula_full": "Li12 Mn4 P8 O32",
            "formula_reduced": "Li3Mn(PO4)2",
            "formula_anonymous": "AB2C3D8",
            "energy": -406.81633392,
            "energy_per_atom": -7.264577391428571,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -378.16033392,
            "band_gap": 0.2830000000000003,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:58.393000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-780793",
            "created_at": "2022-09-04T14:45:09.318178Z",
            "structure_string": "Fe10 O11 F9\n1.0\n4.705636 0.000000 0.000000\n0.044880 4.707438 0.000000\n0.075941 0.042433 15.496524\nFe O F\n10 11 9\ndirect\n0.992531 0.968831 0.993564 Fe\n0.016580 0.992882 0.805565 Fe\n0.026119 0.984365 0.602370 Fe\n0.998617 0.960316 0.401196 Fe\n0.005661 0.960158 0.197987 Fe\n0.520278 0.498790 0.903448 Fe\n0.496406 0.525883 0.504888 Fe\n0.482687 0.520355 0.689772 Fe\n0.506289 0.540190 0.302273 Fe\n0.500691 0.540223 0.100951 Fe\n0.208703 0.792142 0.897375 O\n0.194774 0.816501 0.704834 O\n0.191856 0.808278 0.501068 O\n0.185567 0.803022 0.300256 O\n0.185557 0.805233 0.096380 O\n0.692113 0.685531 0.998848 O\n0.703309 0.706156 0.600941 O\n0.686580 0.693658 0.403346 O\n0.687549 0.697867 0.200186 O\n0.303942 0.305530 0.599080 O\n0.808785 0.191561 0.897087 O\n0.696814 0.690873 0.797223 F\n0.302856 0.297603 0.000799 F\n0.316162 0.312676 0.798869 F\n0.297217 0.300816 0.399559 F\n0.295982 0.302267 0.198502 F\n0.803522 0.198541 0.499190 F\n0.803066 0.204672 0.704715 F\n0.794464 0.197151 0.099051 F\n0.795324 0.197933 0.300680 F\n",
            "nsites": 30,
            "nelements": 3,
            "elements": [
                "Fe",
                "O",
                "F"
            ],
            "chemical_system": "F-Fe-O",
            "density": 4.379921027429711,
            "density_atomic": 0.08739448410088582,
            "volume": 343.2710920905353,
            "volume_molar": 6.890756118027087,
            "formula_full": "Fe10 O11 F9",
            "formula_reduced": "Fe10O11F9",
            "formula_anonymous": "A9B10C11",
            "energy": -215.09670924,
            "energy_per_atom": -7.169890308,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -180.82170924,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 49.0006951,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:48.975000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-22580",
            "created_at": "2022-09-04T14:45:09.320432Z",
            "structure_string": "Zr1 Ga1 Ni2\n1.0\n0.000000 3.060676 3.060676\n3.060676 0.000000 3.060676\n3.060676 3.060676 0.000000\nZr Ga Ni\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ga\n0.750000 0.750000 0.750000 Ni\n0.250000 0.250000 0.250000 Ni\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Zr",
                "Ga",
                "Ni"
            ],
            "chemical_system": "Ga-Ni-Zr",
            "density": 8.059961670929592,
            "density_atomic": 0.06975541413844323,
            "volume": 57.34321915229719,
            "volume_molar": 8.633223434166538,
            "formula_full": "Zr1 Ga1 Ni2",
            "formula_reduced": "ZrGaNi2",
            "formula_anonymous": "ABC2",
            "energy": -25.25551084,
            "energy_per_atom": -6.31387771,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -25.25551084,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0014644,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:50.606000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1080271",
            "created_at": "2022-09-04T14:45:09.326201Z",
            "structure_string": "Cs4 Se2\n1.0\n2.712904 -5.906170 0.000000\n2.712904 5.906170 0.000000\n0.000000 0.000000 8.758990\nCs Se\n4 2\ndirect\n0.484187 0.515813 0.458621 Cs\n0.515813 0.484187 0.958621 Cs\n0.807678 0.192322 0.177151 Cs\n0.192322 0.807678 0.677151 Cs\n0.120538 0.879462 0.239228 Se\n0.879462 0.120538 0.739228 Se\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Cs",
                "Se"
            ],
            "chemical_system": "Cs-Se",
            "density": 4.079296803610437,
            "density_atomic": 0.021376020387062877,
            "volume": 280.6883550518739,
            "volume_molar": 28.17241306358736,
            "formula_full": "Cs4 Se2",
            "formula_reduced": "Cs2Se",
            "formula_anonymous": "AB2",
            "energy": -17.37536878,
            "energy_per_atom": -2.8958947966666666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -16.43136878,
            "band_gap": 1.6603,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:51.282000Z",
            "spacegroup": 36
        },
        {
            "id": "mp-776201",
            "created_at": "2022-09-04T14:45:09.324077Z",
            "structure_string": "Zr8 N8 O4\n1.0\n1.637207 5.381521 0.000000\n-1.637207 5.381521 0.000000\n0.000000 4.641206 16.561899\nZr N O\n8 8 4\ndirect\n0.760262 0.760262 0.914677 Zr\n0.001384 0.001384 0.668183 Zr\n0.226151 0.226151 0.424607 Zr\n0.998616 0.998616 0.331817 Zr\n0.239738 0.239738 0.085323 Zr\n0.231345 0.231345 0.756585 Zr\n0.773849 0.773849 0.575393 Zr\n0.768655 0.768655 0.243415 Zr\n0.845132 0.845132 0.782243 N\n0.154868 0.154868 0.217757 N\n0.155596 0.155596 0.553592 N\n0.378074 0.378074 0.296882 N\n0.618648 0.618648 0.369203 N\n0.381352 0.381352 0.630797 N\n0.844404 0.844404 0.446408 N\n0.621926 0.621926 0.703118 N\n0.652977 0.652977 0.042624 O\n0.347023 0.347023 0.957376 O\n0.154597 0.154597 0.881356 O\n0.845403 0.845403 0.118644 O\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Zr",
                "N",
                "O"
            ],
            "chemical_system": "N-O-Zr",
            "density": 5.1541062400979145,
            "density_atomic": 0.06853007955591062,
            "volume": 291.84264967448195,
            "volume_molar": 8.787587580555492,
            "formula_full": "Zr8 N8 O4",
            "formula_reduced": "Zr2N2O",
            "formula_anonymous": "AB2C2",
            "energy": -199.74855834,
            "energy_per_atom": -9.987427917,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -194.11255834,
            "band_gap": 1.0808000000000004,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005651,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:48.258000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1207253",
            "created_at": "2022-09-04T14:45:09.348813Z",
            "structure_string": "Ce2 Ge6 Pd1\n1.0\n0.000000 4.121961 0.000000\n4.158529 0.000000 0.000000\n0.000000 -2.060981 -11.107062\nCe Ge Pd\n2 6 1\ndirect\n0.780135 0.500000 0.560269 Ce\n0.114009 0.500000 0.228018 Ce\n0.494960 0.500000 0.989920 Ge\n0.382431 0.500000 0.764862 Ge\n0.994109 0.000000 0.988217 Ge\n0.881220 0.000000 0.762441 Ge\n0.667578 0.000000 0.335157 Ge\n0.234858 0.000000 0.469716 Ge\n0.557700 0.000000 0.115400 Pd\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "Ce",
                "Ge",
                "Pd"
            ],
            "chemical_system": "Ce-Ge-Pd",
            "density": 7.173613449494945,
            "density_atomic": 0.047271534518335975,
            "volume": 190.38941916533352,
            "volume_molar": 12.739465349203114,
            "formula_full": "Ce2 Ge6 Pd1",
            "formula_reduced": "Ce2Ge6Pd",
            "formula_anonymous": "AB2C6",
            "energy": -49.33812224,
            "energy_per_atom": -5.482013582222222,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -49.33812224,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.8003287,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:55.400000Z",
            "spacegroup": 38
        },
        {
            "id": "mp-1224386",
            "created_at": "2022-09-04T14:45:09.356249Z",
            "structure_string": "Hf4 Ge1 Sb7\n1.0\n3.976450 0.000000 0.000000\n0.000000 7.377663 0.000000\n0.000000 0.081016 9.562174\nHf Ge Sb\n4 1 7\ndirect\n0.000000 0.758057 0.659452 Hf\n0.000000 0.264416 0.831860 Hf\n0.500000 0.241522 0.342848 Hf\n0.500000 0.739667 0.164660 Hf\n0.000000 0.368081 0.546428 Ge\n0.000000 0.434559 0.150343 Sb\n0.000000 0.932486 0.353976 Sb\n0.500000 0.567111 0.848969 Sb\n0.500000 0.077004 0.642424 Sb\n0.000000 0.869368 0.952411 Sb\n0.500000 0.613568 0.459906 Sb\n0.500000 0.134158 0.046723 Sb\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Hf",
                "Ge",
                "Sb"
            ],
            "chemical_system": "Ge-Hf-Sb",
            "density": 9.70143260209042,
            "density_atomic": 0.04277699415978679,
            "volume": 280.52461926557703,
            "volume_molar": 14.077989532189275,
            "formula_full": "Hf4 Ge1 Sb7",
            "formula_reduced": "Hf4GeSb7",
            "formula_anonymous": "AB4C7",
            "energy": -79.74021252,
            "energy_per_atom": -6.64501771,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -78.39621252,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0148577,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:46.453000Z",
            "spacegroup": 6
        },
        {
            "id": "mp-1192112",
            "created_at": "2022-09-04T14:45:09.358811Z",
            "structure_string": "Zr6 Fe1 Cl15\n1.0\n-5.185935 5.185935 5.185935\n5.185935 -5.185935 5.185935\n5.185935 5.185935 -5.185935\nZr Fe Cl\n6 1 15\ndirect\n0.760777 0.760777 0.000000 Zr\n0.239223 0.000000 0.239223 Zr\n0.000000 0.239223 0.239223 Zr\n0.239223 0.239223 0.000000 Zr\n0.760777 0.000000 0.760777 Zr\n0.000000 0.760777 0.760777 Zr\n0.000000 0.000000 0.000000 Fe\n0.247242 0.247242 0.494485 Cl\n0.752758 0.000000 0.247242 Cl\n0.000000 0.752758 0.247242 Cl\n0.752758 0.247242 0.000000 Cl\n0.247242 0.494485 0.247242 Cl\n0.000000 0.247242 0.752758 Cl\n0.247242 0.752758 0.000000 Cl\n0.247242 0.000000 0.752758 Cl\n0.494485 0.247242 0.247242 Cl\n0.752758 0.752758 0.505515 Cl\n0.752758 0.505515 0.752758 Cl\n0.505515 0.752758 0.752758 Cl\n0.500000 0.500000 0.000000 Cl\n0.500000 0.000000 0.500000 Cl\n0.000000 0.500000 0.500000 Cl\n",
            "nsites": 22,
            "nelements": 3,
            "elements": [
                "Zr",
                "Fe",
                "Cl"
            ],
            "chemical_system": "Cl-Fe-Zr",
            "density": 3.3782955274011908,
            "density_atomic": 0.039434967051713433,
            "volume": 557.880521902049,
            "volume_molar": 15.27106831889274,
            "formula_full": "Zr6 Fe1 Cl15",
            "formula_reduced": "Zr6FeCl15",
            "formula_anonymous": "AB6C15",
            "energy": -132.80921004,
            "energy_per_atom": -6.036782274545455,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -123.59921004000002,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.768487,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:49.844000Z",
            "spacegroup": 229
        },
        {
            "id": "mp-579209",
            "created_at": "2022-09-04T14:45:09.388038Z",
            "structure_string": "Ce40 S56 O4\n1.0\n-7.524328 7.524328 10.006362\n7.524328 -7.524328 10.006362\n7.524328 7.524328 -10.006362\nCe S O\n40 56 4\ndirect\n0.293524 0.144221 0.592561 Ce\n0.676050 0.049626 0.360835 Ce\n0.855779 0.448340 0.149303 Ce\n0.793524 0.200963 0.149303 Ce\n0.864415 0.635585 0.500000 Ce\n0.573950 0.434785 0.873575 Ce\n0.456476 0.105779 0.907439 Ce\n0.051660 0.644221 0.850697 Ce\n0.450963 0.543524 0.649303 Ce\n0.956476 0.049037 0.350697 Ce\n0.394221 0.043524 0.092561 Ce\n0.551660 0.700963 0.407439 Ce\n0.684785 0.323950 0.373575 Ce\n0.184785 0.811210 0.360835 Ce\n0.299037 0.706476 0.850697 Ce\n0.135585 0.364415 0.500000 Ce\n0.950374 0.311210 0.626425 Ce\n0.450374 0.823950 0.639165 Ce\n0.065215 0.926050 0.126425 Ce\n0.635585 0.135585 0.771170 Ce\n0.114415 0.114415 0.728830 Ce\n0.364415 0.864415 0.228830 Ce\n0.061210 0.934785 0.860835 Ce\n0.565215 0.438790 0.139165 Ce\n0.614415 0.885585 0.000000 Ce\n0.188790 0.549626 0.373575 Ce\n0.799037 0.948340 0.592561 Ce\n0.894221 0.801660 0.350697 Ce\n0.885585 0.614415 0.000000 Ce\n0.950963 0.301660 0.907439 Ce\n0.561210 0.700374 0.126425 Ce\n0.688790 0.315215 0.639165 Ce\n0.299626 0.426050 0.860835 Ce\n0.176050 0.815215 0.626425 Ce\n0.198340 0.549037 0.092561 Ce\n0.073950 0.200374 0.139165 Ce\n0.355779 0.206476 0.407439 Ce\n0.799626 0.938790 0.873575 Ce\n0.698340 0.605779 0.649303 Ce\n0.385585 0.385585 0.271170 Ce\n0.311108 0.645599 0.021002 S\n0.895599 0.061108 0.521002 S\n0.774901 0.415097 0.283495 S\n0.125000 0.228102 0.603102 S\n0.760353 0.604099 0.107895 S\n0.631603 0.915097 0.640196 S\n0.131603 0.491407 0.716505 S\n0.741407 0.881603 0.216505 S\n0.475099 0.258593 0.140196 S\n0.209893 0.875402 0.021002 S\n0.625000 0.021898 0.896898 S\n0.274901 0.991407 0.359804 S\n0.989647 0.645901 0.392105 S\n0.978102 0.875000 0.603102 S\n0.975099 0.834903 0.216505 S\n0.271898 0.375000 0.396898 S\n0.996204 0.104099 0.843746 S\n0.902458 0.246204 0.392105 S\n0.854401 0.188892 0.978998 S\n0.165097 0.381603 0.140196 S\n0.753796 0.145901 0.656254 S\n0.489647 0.097542 0.343746 S\n0.253796 0.597542 0.607895 S\n0.938892 0.459893 0.834491 S\n0.354099 0.746204 0.343746 S\n0.625000 0.521898 0.396898 S\n0.395599 0.874598 0.834491 S\n0.771898 0.375000 0.896898 S\n0.854099 0.510353 0.607895 S\n0.084903 0.725099 0.716505 S\n0.125402 0.959893 0.521002 S\n0.241407 0.024901 0.859804 S\n0.478102 0.875000 0.103102 S\n0.125000 0.728102 0.103102 S\n0.124598 0.145599 0.334491 S\n0.395901 0.503796 0.156254 S\n0.354401 0.375402 0.665509 S\n0.895901 0.739647 0.892105 S\n0.508593 0.225099 0.640196 S\n0.260353 0.152458 0.156254 S\n0.118397 0.334903 0.859804 S\n0.665097 0.524901 0.783495 S\n0.811108 0.790107 0.665509 S\n0.040107 0.561108 0.165509 S\n0.847542 0.003796 0.107895 S\n0.618397 0.758593 0.783495 S\n0.008593 0.368397 0.283495 S\n0.709893 0.688892 0.334491 S\n0.496204 0.652458 0.892105 S\n0.402458 0.010353 0.656254 S\n0.347542 0.239647 0.843746 S\n0.438892 0.604401 0.478998 S\n0.625402 0.104401 0.165509 S\n0.584903 0.868397 0.359804 S\n0.624598 0.290107 0.978998 S\n0.540107 0.374598 0.478998 S\n0.000000 0.000000 0.000000 O\n0.750000 0.250000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.250000 0.750000 0.500000 O\n",
            "nsites": 100,
            "nelements": 3,
            "elements": [
                "Ce",
                "S",
                "O"
            ],
            "chemical_system": "Ce-O-S",
            "density": 5.469721832170026,
            "density_atomic": 0.04412943431090526,
            "volume": 2266.0612256089585,
            "volume_molar": 13.646539671395265,
            "formula_full": "Ce40 S56 O4",
            "formula_reduced": "Ce10S14O",
            "formula_anonymous": "AB10C14",
            "energy": -730.48675817,
            "energy_per_atom": -7.3048675817,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -699.57075817,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 40.2917471,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:46.412000Z",
            "spacegroup": 142
        },
        {
            "id": "mp-760219",
            "created_at": "2022-09-04T14:45:09.391515Z",
            "structure_string": "Li2 Mg1 Co13 O28\n1.0\n7.552060 0.000000 0.000000\n-2.171233 7.941272 0.000000\n-2.166245 -2.192330 8.140821\nLi Mg Co O\n2 1 13 28\ndirect\n0.503614 0.000722 0.499998 Li\n0.351835 0.567559 0.924563 Li\n0.502064 0.504446 0.504761 Mg\n0.716953 0.149596 0.863084 Co\n0.355869 0.068341 0.927991 Co\n0.000575 0.000673 0.001217 Co\n0.067145 0.204926 0.779298 Co\n0.427432 0.283258 0.714922 Co\n0.789956 0.361951 0.647880 Co\n0.136759 0.420881 0.564832 Co\n0.860098 0.573767 0.428964 Co\n0.209813 0.635571 0.350086 Co\n0.573587 0.714861 0.285006 Co\n0.929865 0.789476 0.215556 Co\n0.646599 0.937093 0.077681 Co\n0.285112 0.855747 0.141469 Co\n0.914003 0.009306 0.187796 O\n0.985772 0.218340 0.970167 O\n0.449363 0.065713 0.743118 O\n0.794900 0.135394 0.672353 O\n0.623323 0.151198 0.046290 O\n0.269397 0.074479 0.113334 O\n0.333931 0.287052 0.898483 O\n0.698761 0.364049 0.835041 O\n0.523418 0.266087 0.538961 O\n0.155257 0.200135 0.597467 O\n0.872390 0.352145 0.456499 O\n0.060036 0.427605 0.759290 O\n0.789869 0.575803 0.620329 O\n0.397657 0.496218 0.699457 O\n0.600018 0.506716 0.306346 O\n0.212767 0.422229 0.378424 O\n0.943806 0.571412 0.239936 O\n0.127159 0.643172 0.539167 O\n0.844190 0.795814 0.399525 O\n0.475911 0.736599 0.461056 O\n0.303192 0.636430 0.159083 O\n0.659240 0.715886 0.098043 O\n0.731457 0.928913 0.891172 O\n0.376814 0.849199 0.957467 O\n0.201472 0.862534 0.326908 O\n0.551777 0.937340 0.260960 O\n0.016254 0.782459 0.028769 O\n0.088438 0.989904 0.814325 O\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "Li",
                "Mg",
                "Co",
                "O"
            ],
            "chemical_system": "Co-Li-Mg-O",
            "density": 4.259262149947326,
            "density_atomic": 0.09012161539661456,
            "volume": 488.2291535317161,
            "volume_molar": 6.682237922053742,
            "formula_full": "Li2 Mg1 Co13 O28",
            "formula_reduced": "Li2MgCo13O28",
            "formula_anonymous": "AB2C13D28",
            "energy": -291.95124774,
            "energy_per_atom": -6.635255630454545,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -251.42124774,
            "band_gap": 0.7121,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 13.0000399,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:59.459000Z",
            "spacegroup": 1
        }
    ]
}