GET /third-parties/MatprojStructure/?format=api&ordering=updated_at&page=74
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=75",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=updated_at&page=73",
    "results": [
        {
            "id": "mp-9056",
            "created_at": "2022-09-04T14:39:36.677609Z",
            "structure_string": "Zr1 Pd1 F6\n1.0\n5.182641 -2.831803 0.000000\n5.182641 2.831803 0.000000\n3.635340 0.000000 4.654372\nZr Pd F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Pd\n0.258850 0.643049 0.837984 F\n0.837984 0.258850 0.643049 F\n0.356951 0.162016 0.741150 F\n0.162016 0.741150 0.356951 F\n0.741150 0.356951 0.162016 F\n0.643049 0.837984 0.258850 F\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Zr",
                "Pd",
                "F"
            ],
            "chemical_system": "F-Pd-Zr",
            "density": 3.78781940779545,
            "density_atomic": 0.05855779785466511,
            "volume": 136.6171593381165,
            "volume_molar": 10.284097047068574,
            "formula_full": "Zr1 Pd1 F6",
            "formula_reduced": "ZrPdF6",
            "formula_anonymous": "ABC6",
            "energy": -49.35218144,
            "energy_per_atom": -6.16902268,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -46.58018144,
            "band_gap": 0.9909,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.0000001,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:24.636000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-625576",
            "created_at": "2022-09-04T14:39:27.201578Z",
            "structure_string": "Mo2 H4 O8\n1.0\n3.772664 0.000000 0.000000\n1.664544 6.540462 0.000000\n1.601318 2.996031 6.848351\nMo H O\n2 4 8\ndirect\n0.269610 0.155714 0.794752 Mo\n0.740362 0.832813 0.201754 Mo\n0.504417 0.214595 0.323650 H\n0.507818 0.775172 0.671809 H\n0.274522 0.683778 0.878009 H\n0.762268 0.297295 0.124424 H\n0.344857 0.253701 0.542028 O\n0.662548 0.736225 0.454303 O\n0.234880 0.921908 0.125470 O\n0.774759 0.066333 0.871580 O\n0.132961 0.396442 0.837478 O\n0.879149 0.590627 0.161567 O\n0.420977 0.799515 0.793730 O\n0.596405 0.190340 0.201998 O\n",
            "nsites": 14,
            "nelements": 3,
            "elements": [
                "Mo",
                "H",
                "O"
            ],
            "chemical_system": "H-Mo-O",
            "density": 3.1829279777105235,
            "density_atomic": 0.082848656429842,
            "volume": 168.98282486760056,
            "volume_molar": 7.268845409822278,
            "formula_full": "Mo2 H4 O8",
            "formula_reduced": "Mo(HO2)2",
            "formula_anonymous": "AB2C4",
            "energy": -97.47821737,
            "energy_per_atom": -6.9627298121428565,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -85.57821737,
            "band_gap": 3.1738,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.01e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:24.638000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1205017",
            "created_at": "2022-09-04T14:39:26.250337Z",
            "structure_string": "K8 U4 Co4 P8 O44\n1.0\n8.302603 0.000000 0.000000\n0.000000 17.116185 0.000000\n-2.224855 0.000000 7.719012\nK U Co P O\n8 4 4 8 44\ndirect\n0.242034 0.771375 0.913202 K\n0.757966 0.271375 0.586798 K\n0.757966 0.228625 0.086798 K\n0.242034 0.728625 0.413202 K\n0.280432 0.009680 0.723985 K\n0.719568 0.509680 0.776015 K\n0.719568 0.990320 0.276015 K\n0.280432 0.490320 0.223985 K\n0.204758 0.963771 0.210010 U\n0.795242 0.463771 0.289990 U\n0.795242 0.036229 0.789990 U\n0.204758 0.536229 0.710010 U\n0.701381 0.728021 0.796059 Co\n0.298619 0.228021 0.703941 Co\n0.298619 0.271979 0.203941 Co\n0.701381 0.771979 0.296059 Co\n0.905631 0.849039 0.048090 P\n0.094369 0.349039 0.451910 P\n0.094369 0.150961 0.951910 P\n0.905631 0.650961 0.548090 P\n0.542364 0.868570 0.566115 P\n0.457636 0.368570 0.933885 P\n0.457636 0.131430 0.433885 P\n0.542364 0.631430 0.066115 P\n0.892252 0.794818 0.891437 O\n0.107748 0.294818 0.608563 O\n0.107748 0.205182 0.108563 O\n0.892252 0.705182 0.391437 O\n0.513338 0.796404 0.673118 O\n0.486662 0.296404 0.826882 O\n0.486662 0.203596 0.326882 O\n0.513338 0.703596 0.173118 O\n0.079430 0.837538 0.181972 O\n0.920570 0.337538 0.318028 O\n0.920570 0.162462 0.818028 O\n0.079430 0.662462 0.681972 O\n0.324276 0.932068 0.059673 O\n0.675724 0.432068 0.440327 O\n0.675724 0.067932 0.940327 O\n0.324276 0.567932 0.559673 O\n0.603772 0.939516 0.688974 O\n0.396228 0.439516 0.811026 O\n0.396228 0.060484 0.311026 O\n0.603772 0.560484 0.188974 O\n0.915834 0.936868 0.996241 O\n0.084166 0.436868 0.503759 O\n0.084166 0.063132 0.003759 O\n0.915834 0.563132 0.496241 O\n0.084196 0.995775 0.355975 O\n0.915804 0.495775 0.144025 O\n0.915804 0.004225 0.644025 O\n0.084196 0.504225 0.855975 O\n0.754897 0.839389 0.123062 O\n0.245103 0.339389 0.376938 O\n0.245103 0.160611 0.876938 O\n0.754897 0.660611 0.623062 O\n0.371344 0.891985 0.438612 O\n0.628656 0.391985 0.061388 O\n0.628656 0.108015 0.561388 O\n0.371344 0.608015 0.938612 O\n0.669334 0.849312 0.462731 O\n0.330666 0.349312 0.037269 O\n0.330666 0.150688 0.537269 O\n0.669334 0.650688 0.962731 O\n0.093282 0.856758 0.618850 O\n0.906718 0.356758 0.881150 O\n0.906718 0.143242 0.381150 O\n0.093282 0.643242 0.118850 O\n",
            "nsites": 68,
            "nelements": 5,
            "elements": [
                "K",
                "U",
                "Co",
                "P",
                "O"
            ],
            "chemical_system": "Co-K-O-P-U",
            "density": 3.7124206700830245,
            "density_atomic": 0.06199061610198616,
            "volume": 1096.9402189539023,
            "volume_molar": 9.714600593890617,
            "formula_full": "K8 U4 Co4 P8 O44",
            "formula_reduced": "K2UCoP2O11",
            "formula_anonymous": "ABC2D2E11",
            "energy": -509.22377418,
            "energy_per_atom": -7.488584914411765,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -472.44377418,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 10.3409911,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:24.639000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1179504",
            "created_at": "2022-09-04T14:39:37.948446Z",
            "structure_string": "Si32 C12\n1.0\n5.120482 -0.602226 -0.423763\n-3.303790 12.315009 -2.182750\n0.359678 -1.945269 11.422476\nSi C\n32 12\ndirect\n0.823160 0.946943 0.301798 Si\n0.176840 0.053057 0.698202 Si\n0.422736 0.906363 0.412520 Si\n0.577264 0.093637 0.587480 Si\n0.262195 0.775557 0.624384 Si\n0.737805 0.224443 0.375616 Si\n0.769420 0.751125 0.611208 Si\n0.230580 0.248875 0.388792 Si\n0.227341 0.534655 0.669659 Si\n0.772659 0.465345 0.330341 Si\n0.240235 0.611006 0.422777 Si\n0.759765 0.388994 0.577223 Si\n0.899941 0.757789 0.407987 Si\n0.100059 0.242211 0.592013 Si\n0.059448 0.759591 0.168135 Si\n0.940552 0.240409 0.831865 Si\n0.303055 0.089388 0.912899 Si\n0.696945 0.910612 0.087101 Si\n0.188268 0.864749 0.029933 Si\n0.811732 0.135250 0.970067 Si\n0.703897 0.638919 0.991908 Si\n0.296103 0.361081 0.008092 Si\n0.700296 0.362829 0.931760 Si\n0.299704 0.637171 0.068240 Si\n0.465259 0.426876 0.719360 Si\n0.534741 0.573124 0.280640 Si\n0.054620 0.595677 0.861417 Si\n0.945380 0.404323 0.138583 Si\n0.861307 0.823540 0.831869 Si\n0.138693 0.176460 0.168131 Si\n0.524607 0.920798 0.819617 Si\n0.475393 0.079202 0.180383 Si\n0.051868 0.866200 0.325433 C\n0.948132 0.133800 0.674567 C\n0.265102 0.771192 0.459817 C\n0.734898 0.228808 0.540183 C\n0.380791 0.643996 0.590827 C\n0.619209 0.356004 0.409173 C\n0.217886 0.935121 0.906639 C\n0.782114 0.064879 0.093361 C\n0.919948 0.718510 0.899150 C\n0.080052 0.281490 0.100850 C\n0.701308 0.486507 0.878094 C\n0.298692 0.513493 0.121906 C\n",
            "nsites": 44,
            "nelements": 2,
            "elements": [
                "Si",
                "C"
            ],
            "chemical_system": "C-Si",
            "density": 2.563814282833018,
            "density_atomic": 0.06514218166411645,
            "volume": 675.4456003157994,
            "volume_molar": 9.24461018369192,
            "formula_full": "Si32 C12",
            "formula_reduced": "Si8C3",
            "formula_anonymous": "A3B8",
            "energy": -264.52396344,
            "energy_per_atom": -6.011908259999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -264.52396344,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0020671,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:24.639000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1202117",
            "created_at": "2022-09-04T14:39:20.564603Z",
            "structure_string": "Li2 Cu4 B2 P4 H4 O20\n1.0\n0.000000 -4.827701 0.000000\n-7.785930 2.413850 0.217640\n0.104529 0.000000 -9.795888\nLi Cu B P H O\n2 4 2 4 4 20\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.853937 0.293075 0.730361 Cu\n0.560862 0.706925 0.769639 Cu\n0.146063 0.706925 0.269639 Cu\n0.439138 0.293075 0.230361 Cu\n0.282192 0.000000 0.750000 B\n0.717808 0.000000 0.250000 B\n0.323681 0.285221 0.911479 P\n0.038461 0.714779 0.588521 P\n0.676319 0.714779 0.088521 P\n0.961539 0.285221 0.411479 P\n0.417859 0.148424 0.588867 H\n0.269436 0.851576 0.911133 H\n0.582141 0.851576 0.411133 H\n0.730564 0.148424 0.088867 H\n0.155362 0.104628 0.842396 O\n0.050735 0.895372 0.657604 O\n0.844638 0.895372 0.157604 O\n0.949265 0.104628 0.342396 O\n0.654812 0.316217 0.903533 O\n0.338595 0.683783 0.596467 O\n0.345188 0.683783 0.096467 O\n0.661405 0.316217 0.403533 O\n0.218966 0.419834 0.833595 O\n0.799133 0.580166 0.666405 O\n0.781034 0.580166 0.166405 O\n0.200867 0.419834 0.333595 O\n0.224951 0.292758 0.060196 O\n0.932193 0.707242 0.439804 O\n0.775049 0.707242 0.939804 O\n0.067807 0.292758 0.560196 O\n0.512402 0.106112 0.662560 O\n0.406290 0.893888 0.837440 O\n0.487598 0.893888 0.337440 O\n0.593710 0.106112 0.162560 O\n",
            "nsites": 36,
            "nelements": 6,
            "elements": [
                "Li",
                "Cu",
                "B",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "B-Cu-H-Li-O-P",
            "density": 3.3274117678164568,
            "density_atomic": 0.09779967017303602,
            "volume": 368.09940091112315,
            "volume_molar": 6.157628905440156,
            "formula_full": "Li2 Cu4 B2 P4 H4 O20",
            "formula_reduced": "LiCu2BP2(HO5)2",
            "formula_anonymous": "ABC2D2E2F10",
            "energy": -242.95542921,
            "energy_per_atom": -6.7487619225,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -229.21542921,
            "band_gap": 0.8472999999999997,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0014258,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:24.640000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1229230",
            "created_at": "2022-09-04T14:39:35.131252Z",
            "structure_string": "Ag8 C2 N6 O18\n1.0\n0.067430 0.093564 7.998348\n7.786663 -0.029070 -2.149948\n-3.012541 7.231261 -2.156726\nAg C N O\n8 2 6 18\ndirect\n0.742113 0.748292 0.743229 Ag\n0.257887 0.251708 0.256771 Ag\n0.243656 0.861426 0.141047 Ag\n0.131121 0.243311 0.858986 Ag\n0.858993 0.132807 0.234758 Ag\n0.756344 0.138574 0.858953 Ag\n0.868879 0.756689 0.141014 Ag\n0.141007 0.867193 0.765242 Ag\n0.021790 0.966918 0.063719 C\n0.978210 0.033082 0.936281 C\n0.159178 0.606401 0.368807 N\n0.370384 0.159790 0.611561 N\n0.610309 0.369010 0.158475 N\n0.840822 0.393599 0.631193 N\n0.629616 0.840210 0.388439 N\n0.389691 0.630990 0.841525 N\n0.552553 0.870618 0.247513 O\n0.247927 0.554022 0.873119 O\n0.872082 0.249832 0.553624 O\n0.447447 0.129382 0.752487 O\n0.752073 0.445978 0.126881 O\n0.127918 0.750168 0.446376 O\n0.168399 0.574080 0.209659 O\n0.209850 0.167431 0.583090 O\n0.583430 0.209251 0.164737 O\n0.831601 0.425920 0.790341 O\n0.790150 0.832569 0.416910 O\n0.416570 0.790749 0.835263 O\n0.179443 0.494946 0.447860 O\n0.451108 0.180455 0.500336 O\n0.495987 0.447716 0.181205 O\n0.820557 0.505054 0.552140 O\n0.548892 0.819545 0.499664 O\n0.504013 0.552284 0.818795 O\n",
            "nsites": 34,
            "nelements": 4,
            "elements": [
                "Ag",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "Ag-C-N-O",
            "density": 4.616103947654289,
            "density_atomic": 0.07507250563511257,
            "volume": 452.89550032146093,
            "volume_molar": 8.021766036783715,
            "formula_full": "Ag8 C2 N6 O18",
            "formula_reduced": "Ag4C(NO3)3",
            "formula_anonymous": "AB3C4D9",
            "energy": -197.73228374,
            "energy_per_atom": -5.815655404117647,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -185.36628374,
            "band_gap": 2.3921,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006041,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:24.644000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-859103",
            "created_at": "2022-09-04T14:39:46.631617Z",
            "structure_string": "Li2 Ni4 P10 O30\n1.0\n13.023633 0.000000 0.000000\n0.000000 5.136788 0.000000\n0.000000 1.783819 8.346329\nLi Ni P O\n2 4 10 30\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.913469 0.865692 0.149266 Ni\n0.586531 0.865692 0.149266 Ni\n0.413469 0.134308 0.850734 Ni\n0.086531 0.134308 0.850734 Ni\n0.362151 0.974482 0.505730 P\n0.137849 0.974482 0.505730 P\n0.929894 0.656737 0.812504 P\n0.570106 0.656737 0.812504 P\n0.250000 0.557974 0.972640 P\n0.750000 0.442026 0.027360 P\n0.429894 0.343263 0.187496 P\n0.070106 0.343263 0.187496 P\n0.637849 0.025518 0.494270 P\n0.862151 0.025518 0.494270 P\n0.750000 0.951017 0.446789 O\n0.962147 0.850439 0.917691 O\n0.537853 0.850439 0.917691 O\n0.250000 0.836165 0.875766 O\n0.868492 0.810947 0.664696 O\n0.631508 0.810947 0.664696 O\n0.571127 0.921437 0.374638 O\n0.928873 0.921437 0.374638 O\n0.372440 0.700479 0.480297 O\n0.127560 0.700479 0.480297 O\n0.846185 0.458003 0.907025 O\n0.653815 0.458003 0.907025 O\n0.012522 0.485967 0.763407 O\n0.487478 0.485967 0.763407 O\n0.750000 0.680950 0.105781 O\n0.250000 0.319050 0.894219 O\n0.512522 0.514033 0.236593 O\n0.987478 0.514033 0.236593 O\n0.346185 0.541997 0.092975 O\n0.153815 0.541997 0.092975 O\n0.872440 0.299521 0.519703 O\n0.627560 0.299521 0.519703 O\n0.428873 0.078563 0.625362 O\n0.071127 0.078563 0.625362 O\n0.368492 0.189053 0.335304 O\n0.131508 0.189053 0.335304 O\n0.750000 0.163835 0.124234 O\n0.462147 0.149561 0.082309 O\n0.037853 0.149561 0.082309 O\n0.250000 0.048983 0.553211 O\n",
            "nsites": 46,
            "nelements": 4,
            "elements": [
                "Li",
                "Ni",
                "P",
                "O"
            ],
            "chemical_system": "Li-Ni-O-P",
            "density": 3.088048560520994,
            "density_atomic": 0.0823831777431643,
            "volume": 558.3664197004931,
            "volume_molar": 7.309915598029579,
            "formula_full": "Li2 Ni4 P10 O30",
            "formula_reduced": "LiNi2(PO3)5",
            "formula_anonymous": "AB2C5D15",
            "energy": -338.28499615,
            "energy_per_atom": -7.354021655434782,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -307.51099615,
            "band_gap": 3.3530999999999995,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 8.0001507,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:24.645000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-604486",
            "created_at": "2022-09-04T14:39:07.476710Z",
            "structure_string": "Li4 B12 H72 N20\n1.0\n12.135572 0.000000 0.000000\n0.000000 7.630627 0.000000\n0.000000 1.053507 10.785632\nLi B H N\n4 12 72 20\ndirect\n0.251270 0.481172 0.802110 Li\n0.748730 0.518828 0.197890 Li\n0.751270 0.518828 0.697890 Li\n0.248730 0.481172 0.302110 Li\n0.399690 0.011459 0.487258 B\n0.995542 0.906991 0.913676 B\n0.004458 0.093009 0.086324 B\n0.487884 0.868464 0.573034 B\n0.495542 0.093009 0.586324 B\n0.987884 0.131536 0.926966 B\n0.504458 0.906991 0.413676 B\n0.100310 0.011459 0.987258 B\n0.512116 0.131536 0.426966 B\n0.012116 0.868464 0.073034 B\n0.600310 0.988541 0.512742 B\n0.899690 0.988541 0.012742 B\n0.300502 0.025542 0.475410 H\n0.945669 0.645936 0.588239 H\n0.530855 0.042231 0.039775 H\n0.699498 0.974458 0.524590 H\n0.111222 0.384954 0.974673 H\n0.049819 0.568985 0.375780 H\n0.320710 0.799811 0.262334 H\n0.840172 0.274426 0.372060 H\n0.340172 0.725574 0.127940 H\n0.724684 0.809572 0.321527 H\n0.820710 0.200189 0.237666 H\n0.224684 0.190428 0.178473 H\n0.159828 0.725574 0.627940 H\n0.717309 0.206837 0.336642 H\n0.459820 0.432927 0.766660 H\n0.179290 0.799811 0.762334 H\n0.614581 0.397474 0.536241 H\n0.554331 0.645936 0.088239 H\n0.150835 0.260066 0.642569 H\n0.679290 0.200189 0.737666 H\n0.292626 0.487976 0.545200 H\n0.009862 0.183604 0.172046 H\n0.324173 0.175422 0.283577 H\n0.959820 0.567073 0.733340 H\n0.888778 0.615046 0.025327 H\n0.675827 0.824578 0.716423 H\n0.114581 0.602526 0.963759 H\n0.199498 0.025542 0.975410 H\n0.969145 0.042231 0.539775 H\n0.385419 0.602526 0.463759 H\n0.030855 0.957769 0.460225 H\n0.792626 0.512024 0.954800 H\n0.523281 0.260705 0.354334 H\n0.952463 0.094631 0.678545 H\n0.659828 0.274426 0.872060 H\n0.547537 0.094631 0.178545 H\n0.452463 0.905369 0.821455 H\n0.848948 0.096601 0.580282 H\n0.282691 0.793163 0.663358 H\n0.540180 0.567073 0.233340 H\n0.800502 0.974458 0.024590 H\n0.782691 0.206837 0.836642 H\n0.775316 0.809572 0.821527 H\n0.650835 0.739934 0.857431 H\n0.388778 0.384954 0.474673 H\n0.849165 0.739934 0.357431 H\n0.885419 0.397474 0.036241 H\n0.023281 0.739295 0.145666 H\n0.151052 0.903399 0.419718 H\n0.476719 0.739295 0.645666 H\n0.549819 0.431015 0.124220 H\n0.217309 0.793163 0.163358 H\n0.651052 0.096601 0.080282 H\n0.990138 0.816396 0.827954 H\n0.275316 0.190428 0.678473 H\n0.509862 0.816396 0.327954 H\n0.207374 0.487976 0.045200 H\n0.348948 0.903399 0.919718 H\n0.490138 0.183604 0.672046 H\n0.469145 0.957769 0.960225 H\n0.349165 0.260066 0.142569 H\n0.175827 0.175422 0.783577 H\n0.611222 0.615046 0.525327 H\n0.047537 0.905369 0.321455 H\n0.445669 0.354064 0.911761 H\n0.040180 0.432927 0.266660 H\n0.824173 0.824578 0.216423 H\n0.707374 0.512024 0.454800 H\n0.950181 0.431015 0.624220 H\n0.054331 0.354064 0.411761 H\n0.450181 0.568985 0.875780 H\n0.976719 0.260705 0.854334 H\n0.337066 0.492083 0.464725 N\n0.430411 0.868715 0.911783 N\n0.420494 0.453319 0.847758 N\n0.930411 0.131285 0.588217 N\n0.579506 0.546681 0.152242 N\n0.069589 0.868715 0.411783 N\n0.784995 0.274715 0.300638 N\n0.162934 0.492083 0.964725 N\n0.837066 0.507917 0.035275 N\n0.662934 0.507917 0.535275 N\n0.715005 0.274715 0.800638 N\n0.284995 0.725285 0.199362 N\n0.215005 0.725285 0.699362 N\n0.708992 0.744598 0.788940 N\n0.208992 0.255402 0.711060 N\n0.569589 0.131285 0.088217 N\n0.079506 0.453319 0.347758 N\n0.791008 0.744598 0.288940 N\n0.920494 0.546681 0.652242 N\n0.291008 0.255402 0.211060 N\n",
            "nsites": 108,
            "nelements": 4,
            "elements": [
                "Li",
                "B",
                "H",
                "N"
            ],
            "chemical_system": "B-H-Li-N",
            "density": 0.8482520293472977,
            "density_atomic": 0.10813285781901827,
            "volume": 998.7713464556663,
            "volume_molar": 5.5692052179729155,
            "formula_full": "Li4 B12 H72 N20",
            "formula_reduced": "LiB3H18N5",
            "formula_anonymous": "AB3C5D18",
            "energy": -541.0029288100001,
            "energy_per_atom": -5.009286377870371,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -533.78292881,
            "band_gap": 3.3036,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:24.647000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-772108",
            "created_at": "2022-09-04T14:39:22.040995Z",
            "structure_string": "Li2 Ti22 O40\n1.0\n7.261485 0.000000 0.000000\n-1.873366 7.463424 0.000000\n-0.631969 -0.259785 13.228819\nLi Ti O\n2 22 40\ndirect\n0.393252 0.949152 0.778371 Li\n0.606748 0.050848 0.221629 Li\n0.012686 0.928680 0.201154 Ti\n0.037169 0.435458 0.709011 Ti\n0.003624 0.298403 0.126681 Ti\n0.006950 0.207012 0.369312 Ti\n0.320361 0.942623 0.426129 Ti\n0.311940 0.713754 0.080888 Ti\n0.325363 0.574024 0.513804 Ti\n0.336351 0.433841 0.927036 Ti\n0.356571 0.631814 0.288079 Ti\n0.302916 0.203729 0.586324 Ti\n0.320855 0.082800 0.007128 Ti\n0.679145 0.917200 0.992872 Ti\n0.697084 0.796271 0.413676 Ti\n0.643429 0.368186 0.711921 Ti\n0.663649 0.566159 0.072964 Ti\n0.674637 0.425976 0.486196 Ti\n0.688060 0.286246 0.919112 Ti\n0.679639 0.057377 0.573871 Ti\n0.993050 0.792988 0.630688 Ti\n0.996376 0.701597 0.873319 Ti\n0.962831 0.564542 0.290989 Ti\n0.987314 0.071320 0.798846 Ti\n0.119958 0.883440 0.766279 O\n0.172000 0.823943 0.976752 O\n0.171338 0.954327 0.549102 O\n0.163034 0.739720 0.201522 O\n0.161117 0.540921 0.834902 O\n0.165076 0.617158 0.620533 O\n0.185699 0.678703 0.403966 O\n0.143344 0.404172 0.267993 O\n0.151702 0.236532 0.695101 O\n0.173937 0.178977 0.901784 O\n0.180067 0.327331 0.477976 O\n0.175583 0.462700 0.046711 O\n0.163731 0.038314 0.335821 O\n0.161999 0.113106 0.118837 O\n0.484611 0.953559 0.094508 O\n0.496752 0.679716 0.970350 O\n0.498974 0.882554 0.328526 O\n0.503334 0.826652 0.524839 O\n0.490130 0.453624 0.603520 O\n0.491224 0.604167 0.172907 O\n0.508776 0.395833 0.827093 O\n0.509870 0.546376 0.396480 O\n0.496666 0.173348 0.475161 O\n0.501026 0.117446 0.671474 O\n0.503248 0.320284 0.029650 O\n0.515389 0.046441 0.905492 O\n0.838001 0.886894 0.881163 O\n0.836269 0.961686 0.664179 O\n0.824417 0.537300 0.953289 O\n0.819933 0.672669 0.522024 O\n0.826063 0.821023 0.098216 O\n0.848298 0.763468 0.304899 O\n0.856656 0.595828 0.732007 O\n0.814301 0.321297 0.596034 O\n0.834924 0.382842 0.379467 O\n0.838883 0.459079 0.165098 O\n0.836966 0.260280 0.798478 O\n0.828662 0.045673 0.450898 O\n0.828000 0.176057 0.023248 O\n0.880042 0.116560 0.233721 O\n",
            "nsites": 64,
            "nelements": 3,
            "elements": [
                "Li",
                "Ti",
                "O"
            ],
            "chemical_system": "Li-O-Ti",
            "density": 3.9534903583029206,
            "density_atomic": 0.0892679045275832,
            "volume": 716.9430081135647,
            "volume_molar": 6.74614329962142,
            "formula_full": "Li2 Ti22 O40",
            "formula_reduced": "LiTi11O20",
            "formula_anonymous": "AB11C20",
            "energy": -591.33386201,
            "energy_per_atom": -9.23959159390625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -563.85386201,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0004903,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:24.649000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1256217",
            "created_at": "2022-09-04T14:39:23.299777Z",
            "structure_string": "Ca3 Co2 Si4 O14\n1.0\n5.523846 5.555709 0.000000\n-5.523846 5.555709 0.000000\n0.000000 0.294685 5.113674\nCa Co Si O\n3 2 4 14\ndirect\n0.841864 0.171342 0.493899 Ca\n0.171342 0.841864 0.493899 Ca\n0.649597 0.649597 0.519948 Ca\n0.499763 0.005021 0.999687 Co\n0.005021 0.499763 0.999687 Co\n0.134332 0.134332 0.947342 Si\n0.362814 0.645527 0.052417 Si\n0.645527 0.362814 0.052417 Si\n0.856592 0.856592 0.949546 Si\n0.315509 0.069975 0.810694 O\n0.683088 0.918719 0.795503 O\n0.605014 0.170719 0.186081 O\n0.420181 0.816708 0.213452 O\n0.069975 0.315509 0.810694 O\n0.170719 0.605014 0.186081 O\n0.816708 0.420181 0.213452 O\n0.918719 0.683088 0.795503 O\n0.112499 0.112499 0.260139 O\n0.371415 0.676383 0.741711 O\n0.500269 0.500269 0.160810 O\n0.998140 0.998140 0.813618 O\n0.676383 0.371415 0.741711 O\n0.844608 0.844608 0.261131 O\n",
            "nsites": 23,
            "nelements": 4,
            "elements": [
                "Ca",
                "Co",
                "Si",
                "O"
            ],
            "chemical_system": "Ca-Co-O-Si",
            "density": 3.0391010547165904,
            "density_atomic": 0.07327971136577899,
            "volume": 313.8658650713628,
            "volume_molar": 8.21801921399528,
            "formula_full": "Ca3 Co2 Si4 O14",
            "formula_reduced": "Ca3Co2(Si2O7)2",
            "formula_anonymous": "A2B3C4D14",
            "energy": -177.61031428,
            "energy_per_atom": -7.7221875773913045,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -164.71631428,
            "band_gap": 1.3937,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.9999345,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:24.651000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-30247",
            "created_at": "2022-09-04T14:39:35.100544Z",
            "structure_string": "Mg1 H2 O2\n1.0\n1.592945 -2.759062 0.000000\n1.592945 2.759062 0.000000\n0.000000 0.000000 4.781618\nMg H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.578699 H\n0.333333 0.666667 0.421301 H\n0.666667 0.333333 0.781776 O\n0.333333 0.666667 0.218224 O\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Mg",
                "H",
                "O"
            ],
            "chemical_system": "H-Mg-O",
            "density": 2.3040776732200565,
            "density_atomic": 0.11896052991802708,
            "volume": 42.03074753824132,
            "volume_molar": 5.062301558466254,
            "formula_full": "Mg1 H2 O2",
            "formula_reduced": "Mg(HO)2",
            "formula_anonymous": "AB2C2",
            "energy": -28.32918461,
            "energy_per_atom": -5.6658369219999996,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -26.95518461,
            "band_gap": 4.1797,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:24.651000Z",
            "spacegroup": 164
        },
        {
            "id": "mp-1273498",
            "created_at": "2022-09-04T14:39:41.142509Z",
            "structure_string": "Mg2 Cr2 Ge4 O12\n1.0\n5.237740 -0.313844 0.831488\n0.948759 6.569568 0.633303\n-0.401420 -0.006851 6.655941\nMg Cr Ge O\n2 2 4 12\ndirect\n0.749993 0.270903 0.729086 Mg\n0.249993 0.729099 0.270900 Mg\n0.250062 0.089177 0.910876 Cr\n0.749990 0.910832 0.089197 Cr\n0.777533 0.398165 0.209570 Ge\n0.722466 0.790425 0.601822 Ge\n0.222471 0.601831 0.790430 Ge\n0.277520 0.209564 0.398181 Ge\n0.591274 0.291175 0.433559 O\n0.908726 0.566442 0.708817 O\n0.408722 0.708821 0.566437 O\n0.091272 0.433554 0.291174 O\n0.111640 0.146037 0.627959 O\n0.388358 0.372038 0.853954 O\n0.888353 0.853962 0.372026 O\n0.611635 0.627966 0.146038 O\n0.839505 0.216372 0.031174 O\n0.660480 0.968819 0.783618 O\n0.160484 0.783637 0.968816 O\n0.339523 0.031182 0.216366 O\n",
            "nsites": 20,
            "nelements": 4,
            "elements": [
                "Mg",
                "Cr",
                "Ge",
                "O"
            ],
            "chemical_system": "Cr-Ge-Mg-O",
            "density": 4.520775370493528,
            "density_atomic": 0.08572630502747035,
            "volume": 233.3006186793091,
            "volume_molar": 7.024845825409424,
            "formula_full": "Mg2 Cr2 Ge4 O12",
            "formula_reduced": "MgCr(GeO3)2",
            "formula_anonymous": "ABC2D6",
            "energy": -146.18994451999998,
            "energy_per_atom": -7.3094972259999995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -133.94794452,
            "band_gap": 0.4642000000000008,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.76e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:24.651000Z",
            "spacegroup": 15
        }
    ]
}