GET /third-parties/MatprojStructure/?format=api&ordering=-nelements
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=-nelements&page=2",
    "previous": null,
    "results": [
        {
            "id": "mp-1215061",
            "created_at": "2022-09-04T14:43:41.522059Z",
            "structure_string": "Ba4 Na2 Ti4 Mn2 Re4 Si16 H2 O52 F2\n1.0\n4.913552 -5.383477 0.000000\n4.913552 5.383477 0.000000\n0.000000 0.000000 21.343984\nBa Na Ti Mn Re Si H O F\n4 2 4 2 4 16 2 52 2\ndirect\n0.384476 0.560272 0.250000 Ba\n0.560272 0.384476 0.750000 Ba\n0.916325 0.983177 0.250000 Ba\n0.983177 0.916325 0.750000 Ba\n0.953866 0.953866 0.000000 Na\n0.953866 0.953866 0.500000 Na\n0.876801 0.499494 0.185811 Ti\n0.499494 0.876801 0.814189 Ti\n0.499494 0.876801 0.685811 Ti\n0.876801 0.499494 0.314189 Ti\n0.321765 0.321765 0.000000 Mn\n0.321765 0.321765 0.500000 Mn\n0.920595 0.460330 0.023869 Re\n0.460330 0.920595 0.976131 Re\n0.460330 0.920595 0.523869 Re\n0.920595 0.460330 0.476131 Re\n0.164100 0.208698 0.128581 Si\n0.208698 0.164100 0.871419 Si\n0.208698 0.164100 0.628581 Si\n0.164100 0.208698 0.371419 Si\n0.198718 0.790673 0.098079 Si\n0.790673 0.198718 0.901921 Si\n0.790673 0.198718 0.598079 Si\n0.198718 0.790673 0.401921 Si\n0.209626 0.575137 0.604464 Si\n0.575137 0.209626 0.395536 Si\n0.575137 0.209626 0.104464 Si\n0.209626 0.575137 0.895536 Si\n0.605900 0.818177 0.118226 Si\n0.818177 0.605900 0.881774 Si\n0.818177 0.605900 0.618226 Si\n0.605900 0.818177 0.381774 Si\n0.305439 0.918145 0.250000 H\n0.918145 0.305439 0.750000 H\n0.132674 0.493514 0.537178 O\n0.493514 0.132674 0.462822 O\n0.493514 0.132674 0.037178 O\n0.132674 0.493514 0.962822 O\n0.030237 0.626651 0.100010 O\n0.626651 0.030237 0.899990 O\n0.626651 0.030237 0.600010 O\n0.030237 0.626651 0.399990 O\n0.089442 0.269096 0.060205 O\n0.269096 0.089442 0.939795 O\n0.269096 0.089442 0.560205 O\n0.089442 0.269096 0.439795 O\n0.741514 0.375923 0.099546 O\n0.375923 0.741514 0.900454 O\n0.375923 0.741514 0.599546 O\n0.741514 0.375923 0.400454 O\n0.645441 0.035656 0.144630 O\n0.035656 0.645441 0.855370 O\n0.035656 0.645441 0.644630 O\n0.645441 0.035656 0.355370 O\n0.387609 0.738331 0.133191 O\n0.738331 0.387609 0.866809 O\n0.738331 0.387609 0.633191 O\n0.387609 0.738331 0.366809 O\n0.979933 0.126169 0.629652 O\n0.126169 0.979933 0.370348 O\n0.126169 0.979933 0.129652 O\n0.979933 0.126169 0.870348 O\n0.018847 0.631100 0.250000 O\n0.631100 0.018847 0.750000 O\n0.722264 0.385266 0.250000 O\n0.385266 0.722264 0.750000 O\n0.642953 0.829945 0.042723 O\n0.829945 0.642953 0.957277 O\n0.829945 0.642953 0.542723 O\n0.642953 0.829945 0.457277 O\n0.279763 0.386628 0.638383 O\n0.386628 0.279763 0.361617 O\n0.386628 0.279763 0.138383 O\n0.279763 0.386628 0.861617 O\n0.242979 0.827574 0.024669 O\n0.827574 0.242979 0.975331 O\n0.827574 0.242979 0.524669 O\n0.242979 0.827574 0.475331 O\n0.048526 0.299810 0.182919 O\n0.299810 0.048526 0.817081 O\n0.299810 0.048526 0.682919 O\n0.048526 0.299810 0.317081 O\n0.721705 0.704180 0.168051 O\n0.704180 0.721705 0.831949 O\n0.704180 0.721705 0.668051 O\n0.721705 0.704180 0.331949 O\n0.514910 0.514910 0.000000 F\n0.514910 0.514910 0.500000 F\n",
            "nsites": 88,
            "nelements": 9,
            "elements": [
                "Ba",
                "Na",
                "Ti",
                "Mn",
                "Re",
                "Si",
                "H",
                "O",
                "F"
            ],
            "chemical_system": "Ba-F-H-Mn-Na-O-Re-Si-Ti",
            "density": 4.357013130121373,
            "density_atomic": 0.07793252926967291,
            "volume": 1129.1818811050034,
            "volume_molar": 7.727377535972631,
            "formula_full": "Ba4 Na2 Ti4 Mn2 Re4 Si16 H2 O52 F2",
            "formula_reduced": "Ba2NaTi2MnRe2Si8HO26F",
            "formula_anonymous": "ABCDE2F2G2H8I26",
            "energy": -711.0358577100001,
            "energy_per_atom": -8.079952928522728,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -670.69385771,
            "band_gap": 0.2375999999999996,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 24.0003289,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:14.723000Z",
            "spacegroup": 40
        },
        {
            "id": "mp-1213447",
            "created_at": "2022-09-04T14:46:38.302687Z",
            "structure_string": "K1 Ba1 Na1 Ca1 Ti4 Fe8 Si8 O38 F2\n1.0\n7.104738 0.000000 0.000000\n0.000000 5.406976 0.000000\n0.000000 1.546886 20.790678\nK Ba Na Ca Ti Fe Si O F\n1 1 1 1 4 8 8 38 2\ndirect\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Ca\n0.500000 0.522942 0.410055 Ti\n0.500000 0.477058 0.589945 Ti\n0.000000 0.978341 0.088966 Ti\n0.000000 0.021659 0.911034 Ti\n0.000000 0.279068 0.249739 Fe\n0.000000 0.720932 0.750262 Fe\n0.739317 0.733939 0.262269 Fe\n0.260683 0.266061 0.737731 Fe\n0.739317 0.266061 0.737731 Fe\n0.260683 0.733939 0.262269 Fe\n0.500000 0.753176 0.747748 Fe\n0.500000 0.246824 0.252252 Fe\n0.725270 0.460987 0.124713 Si\n0.274730 0.539013 0.875287 Si\n0.725270 0.539013 0.875287 Si\n0.274730 0.460987 0.124713 Si\n0.781673 0.957325 0.619170 Si\n0.218327 0.042675 0.380830 Si\n0.781673 0.042675 0.380830 Si\n0.218327 0.957325 0.619170 Si\n0.754277 0.417725 0.203944 O\n0.245723 0.582275 0.796056 O\n0.754277 0.582275 0.796056 O\n0.245723 0.417725 0.203944 O\n0.500000 0.500000 0.000000 O\n0.697346 0.725377 0.585151 O\n0.302654 0.274623 0.414849 O\n0.697346 0.274623 0.414849 O\n0.302654 0.725377 0.585151 O\n0.000000 0.000000 0.000000 O\n0.000000 0.580425 0.285269 O\n0.000000 0.419575 0.714731 O\n0.500000 0.460900 0.116583 O\n0.500000 0.539100 0.883417 O\n0.792051 0.921838 0.698497 O\n0.207949 0.078162 0.301503 O\n0.792051 0.078162 0.301503 O\n0.207949 0.921838 0.698497 O\n0.500000 0.502006 0.309315 O\n0.500000 0.497994 0.690685 O\n0.500000 0.916861 0.230673 O\n0.500000 0.083139 0.769327 O\n0.812768 0.720154 0.093884 O\n0.187232 0.279846 0.906116 O\n0.812768 0.279846 0.906116 O\n0.187232 0.720154 0.093884 O\n0.000000 0.021883 0.409508 O\n0.000000 0.978117 0.590492 O\n0.689721 0.780830 0.404848 O\n0.310279 0.219170 0.595152 O\n0.689721 0.219170 0.595152 O\n0.310279 0.780830 0.404848 O\n0.000000 0.000000 0.500000 O\n0.812552 0.239855 0.085566 O\n0.187448 0.760145 0.914434 O\n0.812552 0.760145 0.914434 O\n0.187448 0.239855 0.085566 O\n0.500000 0.500000 0.500000 O\n0.000000 0.996685 0.190202 F\n0.000000 0.003315 0.809798 F\n",
            "nsites": 64,
            "nelements": 9,
            "elements": [
                "K",
                "Ba",
                "Na",
                "Ca",
                "Ti",
                "Fe",
                "Si",
                "O",
                "F"
            ],
            "chemical_system": "Ba-Ca-F-Fe-K-Na-O-Si-Ti",
            "density": 3.6350763449044896,
            "density_atomic": 0.08013252223179203,
            "volume": 798.6769693193114,
            "volume_molar": 7.515226767204836,
            "formula_full": "K1 Ba1 Na1 Ca1 Ti4 Fe8 Si8 O38 F2",
            "formula_reduced": "KBaNaCaTi4Fe8Si8(O19F)2",
            "formula_anonymous": "ABCDE2F4G8H8I38",
            "energy": -509.28300255,
            "energy_per_atom": -7.95754691484375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -464.20500255,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 38.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:46.531000Z",
            "spacegroup": 10
        },
        {
            "id": "mp-1221604",
            "created_at": "2022-09-04T14:45:41.731173Z",
            "structure_string": "Na4 Ca2 Mn2 Al4 P4 H4 O20 F8\n1.0\n5.254078 0.035879 5.134837\n-5.237324 -7.217454 1.780202\n5.211671 -7.217452 -1.854034\nNa Ca Mn Al P H O F\n4 2 2 4 4 4 20 8\ndirect\n0.962640 0.621080 0.132620 Na\n0.962640 0.121080 0.632620 Na\n0.037360 0.878920 0.367380 Na\n0.037360 0.378920 0.867380 Na\n0.500000 0.250000 0.250000 Ca\n0.500000 0.750000 0.750000 Ca\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.250000 0.250000 Al\n0.000000 0.750000 0.750000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.362370 0.079530 0.678758 P\n0.362370 0.579530 0.178758 P\n0.637630 0.420470 0.821242 P\n0.637630 0.920470 0.321242 P\n0.769291 0.271540 0.478694 H\n0.769291 0.771540 0.978694 H\n0.230709 0.228460 0.021306 H\n0.230709 0.728460 0.521306 H\n0.919308 0.817928 0.931100 O\n0.919308 0.317928 0.431100 O\n0.080692 0.682072 0.568900 O\n0.080692 0.182072 0.068900 O\n0.505106 0.512655 0.253731 O\n0.505106 0.012655 0.753731 O\n0.494894 0.987345 0.246269 O\n0.494894 0.487345 0.746269 O\n0.232766 0.945678 0.631583 O\n0.232766 0.445678 0.131583 O\n0.782093 0.378354 0.696158 O\n0.782093 0.878354 0.196158 O\n0.767234 0.554322 0.868417 O\n0.767234 0.054322 0.368417 O\n0.217907 0.121646 0.803842 O\n0.217907 0.621646 0.303842 O\n0.485534 0.236955 0.523126 O\n0.485534 0.736955 0.023126 O\n0.514466 0.263045 0.976874 O\n0.514466 0.763045 0.476874 O\n0.152108 0.151728 0.346509 F\n0.152108 0.651728 0.846509 F\n0.834792 0.089062 0.908022 F\n0.834792 0.589062 0.408022 F\n0.847892 0.348272 0.153491 F\n0.847892 0.848272 0.653491 F\n0.165208 0.410938 0.591978 F\n0.165208 0.910938 0.091978 F\n",
            "nsites": 48,
            "nelements": 8,
            "elements": [
                "Na",
                "Ca",
                "Mn",
                "Al",
                "P",
                "H",
                "O",
                "F"
            ],
            "chemical_system": "Al-Ca-F-H-Mn-Na-O-P",
            "density": 3.1304746232350738,
            "density_atomic": 0.09142108803136408,
            "volume": 525.0429745873569,
            "volume_molar": 6.587255620862845,
            "formula_full": "Na4 Ca2 Mn2 Al4 P4 H4 O20 F8",
            "formula_reduced": "Na2CaMnAl2P2H2(O5F2)2",
            "formula_anonymous": "ABC2D2E2F2G4H10",
            "energy": -332.96917318,
            "energy_per_atom": -6.936857774583333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -312.19717318,
            "band_gap": 4.3124,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 10.0000034,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:17.004000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1224604",
            "created_at": "2022-09-04T14:40:06.428812Z",
            "structure_string": "K2 Na4 Li2 Ti4 Mn3 Fe1 Si16 O48\n1.0\n10.117259 0.000000 0.000000\n3.542755 9.900338 0.000000\n3.520129 1.624428 9.775165\nK Na Li Ti Mn Fe Si O\n2 4 2 4 3 1 16 48\ndirect\n0.249821 0.431555 0.568097 K\n0.750285 0.567796 0.432047 K\n0.698032 0.051422 0.472524 Na\n0.802032 0.527435 0.948470 Na\n0.301974 0.948712 0.527181 Na\n0.198208 0.472459 0.051693 Na\n0.248818 0.926970 0.075446 Li\n0.750125 0.073116 0.926412 Li\n0.379646 0.143736 0.035408 Ti\n0.119678 0.965718 0.855815 Ti\n0.619780 0.855911 0.965267 Ti\n0.880967 0.033961 0.144286 Ti\n0.402003 0.655075 0.026661 Mn\n0.903764 0.026891 0.652691 Mn\n0.598003 0.345370 0.972950 Mn\n0.097011 0.971135 0.345814 Fe\n0.107478 0.706955 0.756307 Si\n0.392415 0.244056 0.293177 Si\n0.892677 0.292578 0.244254 Si\n0.607835 0.756059 0.706750 Si\n0.935594 0.742631 0.549891 Si\n0.564047 0.450194 0.257859 Si\n0.065391 0.255786 0.448834 Si\n0.435513 0.550323 0.742392 Si\n0.081173 0.251660 0.955870 Si\n0.418566 0.044328 0.748365 Si\n0.918672 0.748481 0.044359 Si\n0.581452 0.955825 0.251863 Si\n0.418034 0.750661 0.296333 Si\n0.080988 0.703854 0.251190 Si\n0.581301 0.250514 0.703166 Si\n0.919091 0.296204 0.749008 Si\n0.019884 0.667884 0.671866 O\n0.479501 0.328733 0.332672 O\n0.980046 0.332799 0.327785 O\n0.520122 0.671870 0.667494 O\n0.905185 0.129013 0.274049 O\n0.598215 0.726730 0.869175 O\n0.097865 0.869246 0.727014 O\n0.401948 0.273176 0.130902 O\n0.261004 0.812277 0.395981 O\n0.237065 0.602379 0.193131 O\n0.736765 0.192636 0.601154 O\n0.763457 0.398539 0.806502 O\n0.063061 0.869168 0.213174 O\n0.435900 0.788202 0.131435 O\n0.936150 0.130918 0.787857 O\n0.564159 0.212228 0.868376 O\n0.256365 0.072652 0.168343 O\n0.242949 0.832159 0.927534 O\n0.743324 0.926616 0.832249 O\n0.756953 0.168226 0.073813 O\n0.240988 0.268476 0.939995 O\n0.258614 0.060302 0.731578 O\n0.758733 0.731563 0.060693 O\n0.741558 0.939440 0.268375 O\n0.069304 0.092269 0.997229 O\n0.430605 0.002657 0.907743 O\n0.930390 0.907915 0.002993 O\n0.569477 0.997174 0.092501 O\n0.773606 0.712713 0.609762 O\n0.726234 0.389165 0.288280 O\n0.226720 0.287224 0.390085 O\n0.273575 0.610223 0.711829 O\n0.920157 0.903743 0.511988 O\n0.580792 0.486703 0.096634 O\n0.081182 0.094940 0.484123 O\n0.419069 0.513784 0.903558 O\n0.035925 0.658930 0.921726 O\n0.464673 0.078534 0.341282 O\n0.963514 0.340771 0.078726 O\n0.535854 0.921641 0.658866 O\n0.965300 0.672030 0.185669 O\n0.533969 0.814792 0.329265 O\n0.034820 0.328459 0.814377 O\n0.464955 0.185605 0.671407 O\n0.017855 0.658660 0.420528 O\n0.480994 0.581023 0.341017 O\n0.983439 0.338243 0.579644 O\n0.517407 0.420198 0.659235 O\n",
            "nsites": 80,
            "nelements": 8,
            "elements": [
                "K",
                "Na",
                "Li",
                "Ti",
                "Mn",
                "Fe",
                "Si",
                "O"
            ],
            "chemical_system": "Fe-K-Li-Mn-Na-O-Si-Ti",
            "density": 3.075605519502979,
            "density_atomic": 0.08170582140782158,
            "volume": 979.1224006021891,
            "volume_molar": 7.370516147119365,
            "formula_full": "K2 Na4 Li2 Ti4 Mn3 Fe1 Si16 O48",
            "formula_reduced": "K2Na4Li2Ti4Mn3Fe(SiO3)16",
            "formula_anonymous": "AB2C2D3E4F4G16H48",
            "energy": -646.02792316,
            "energy_per_atom": -8.0753490395,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -605.79192316,
            "band_gap": 1.7582,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 18.808137,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:46.680000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-728472",
            "created_at": "2022-09-04T14:42:22.771604Z",
            "structure_string": "Fe2 P4 H48 C16 S8 N2 Cl2 O8\n1.0\n7.360818 0.000000 0.000000\n-0.063236 8.795919 0.000000\n-1.314201 -1.700042 16.714409\nFe P H C S N Cl O\n2 4 48 16 8 2 2 8\ndirect\n0.251054 0.831108 0.756642 Fe\n0.748946 0.168892 0.243358 Fe\n0.186416 0.676074 0.905805 P\n0.813584 0.323926 0.094195 P\n0.265936 0.773152 0.573504 P\n0.734064 0.226848 0.426496 P\n0.387997 0.917996 0.060076 H\n0.612003 0.082004 0.939924 H\n0.318011 0.956750 0.959819 H\n0.681989 0.043250 0.040181 H\n0.160515 0.980282 0.036457 H\n0.839485 0.019718 0.963543 H\n0.168272 0.301637 0.966403 H\n0.831728 0.698363 0.033597 H\n0.271072 0.460220 0.028807 H\n0.728928 0.539780 0.971193 H\n0.369842 0.390924 0.937728 H\n0.630158 0.609076 0.062272 H\n0.375130 0.462172 0.568401 H\n0.624870 0.537828 0.431599 H\n0.131191 0.451538 0.548658 H\n0.868809 0.548462 0.451342 H\n0.275791 0.403456 0.469141 H\n0.724209 0.596544 0.530859 H\n0.144289 0.086830 0.575392 H\n0.855711 0.913170 0.424608 H\n0.264813 0.126968 0.490771 H\n0.735187 0.873032 0.509229 H\n0.389688 0.088321 0.582558 H\n0.610312 0.911679 0.417442 H\n0.382447 0.516333 0.281387 H\n0.617553 0.483667 0.718613 H\n0.504823 0.694678 0.283720 H\n0.495177 0.305322 0.716280 H\n0.380039 0.654086 0.367629 H\n0.619961 0.345914 0.632371 H\n0.048421 0.514351 0.269905 H\n0.951579 0.485649 0.730095 H\n0.057390 0.649632 0.357763 H\n0.942611 0.350368 0.642237 H\n0.929008 0.691805 0.266967 H\n0.070992 0.308195 0.733033 H\n0.223534 0.894880 0.358182 H\n0.776466 0.105120 0.641818 H\n0.097498 0.928746 0.266031 H\n0.902502 0.071254 0.733969 H\n0.343607 0.928781 0.272591 H\n0.656393 0.071219 0.727409 H\n0.091750 0.742348 0.151814 H\n0.908250 0.257652 0.848186 H\n0.207546 0.565096 0.157286 H\n0.792454 0.434904 0.842714 H\n0.337439 0.740198 0.158512 H\n0.662561 0.259802 0.841488 H\n0.273831 0.912348 0.013925 C\n0.726169 0.087652 0.986075 C\n0.242369 0.410081 0.966908 C\n0.757631 0.589919 0.033092 C\n0.260672 0.477939 0.524342 C\n0.739328 0.522061 0.475658 C\n0.265933 0.061487 0.542748 C\n0.734067 0.938513 0.457252 C\n0.383977 0.638492 0.302502 C\n0.616023 0.361508 0.697498 C\n0.050000 0.636005 0.292198 C\n0.950000 0.363995 0.707802 C\n0.220407 0.878525 0.292692 C\n0.779593 0.121475 0.707308 C\n0.214055 0.687689 0.176548 C\n0.785945 0.312311 0.823452 C\n0.421168 0.678944 0.852295 S\n0.578832 0.321056 0.147705 S\n0.984232 0.767611 0.842140 S\n0.015768 0.232389 0.157860 S\n0.041497 0.777106 0.633555 S\n0.958503 0.222894 0.366445 S\n0.490002 0.777864 0.647645 S\n0.509998 0.222136 0.352355 S\n0.216970 0.710086 0.266140 N\n0.783030 0.289914 0.733860 N\n0.300667 0.093299 0.793066 Cl\n0.699333 0.906701 0.206934 Cl\n0.214461 0.753865 0.997249 O\n0.785539 0.246135 0.002751 O\n0.123695 0.507866 0.922061 O\n0.876305 0.492134 0.077939 O\n0.260858 0.633064 0.502925 O\n0.739142 0.366936 0.497075 O\n0.263838 0.902065 0.511367 O\n0.736162 0.097935 0.488633 O\n",
            "nsites": 90,
            "nelements": 8,
            "elements": [
                "Fe",
                "P",
                "H",
                "C",
                "S",
                "N",
                "Cl",
                "O"
            ],
            "chemical_system": "C-Cl-Fe-H-N-O-P-S",
            "density": 1.4724085264580182,
            "density_atomic": 0.08316568773564643,
            "volume": 1082.1770666537066,
            "volume_molar": 7.24113624736947,
            "formula_full": "Fe2 P4 H48 C16 S8 N2 Cl2 O8",
            "formula_reduced": "FeP2H24C8S4NClO4",
            "formula_anonymous": "ABCD2E4F4G8H24",
            "energy": -488.3513319300001,
            "energy_per_atom": -5.426125910333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -472.36933193,
            "band_gap": 3.1831,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.9995808,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:46.282000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1213587",
            "created_at": "2022-09-04T14:43:54.124542Z",
            "structure_string": "K4 Ba2 Na4 Ti8 Mn1 Si16 W8 O58\n1.0\n7.142158 7.824797 0.000000\n-7.142158 7.824797 0.000000\n0.000000 6.048685 13.214019\nK Ba Na Ti Mn Si W O\n4 2 4 8 1 16 8 58\ndirect\n0.410209 0.410209 0.182328 K\n0.589791 0.589791 0.817672 K\n0.912590 0.912590 0.692761 K\n0.087410 0.087410 0.307239 K\n0.603983 0.603983 0.329762 Ba\n0.396017 0.396017 0.670238 Ba\n0.478017 0.971086 0.385294 Na\n0.521983 0.028914 0.614706 Na\n0.028914 0.521983 0.614706 Na\n0.971086 0.478017 0.385294 Na\n0.727215 0.272785 0.500000 Ti\n0.272785 0.727215 0.500000 Ti\n0.765420 0.234580 0.000000 Ti\n0.234580 0.765420 0.000000 Ti\n0.737764 0.264235 0.257179 Ti\n0.262236 0.735765 0.742821 Ti\n0.735765 0.262236 0.742821 Ti\n0.264235 0.737764 0.257179 Ti\n0.000000 0.000000 0.000000 Mn\n0.263107 0.043296 0.061115 Si\n0.736893 0.956704 0.938885 Si\n0.956704 0.736893 0.938885 Si\n0.043296 0.263107 0.061115 Si\n0.520051 0.735113 0.063378 Si\n0.479949 0.264887 0.936622 Si\n0.264887 0.479949 0.936622 Si\n0.735113 0.520051 0.063378 Si\n0.764624 0.985605 0.440281 Si\n0.235375 0.014395 0.559719 Si\n0.014395 0.235376 0.559719 Si\n0.985605 0.764625 0.440281 Si\n0.458072 0.243322 0.439552 Si\n0.541928 0.756678 0.560448 Si\n0.756678 0.541928 0.560448 Si\n0.243322 0.458072 0.439552 Si\n0.751611 0.966907 0.214968 W\n0.248389 0.033093 0.785032 W\n0.033093 0.248389 0.785032 W\n0.966907 0.751611 0.214968 W\n0.495518 0.050749 0.164541 W\n0.504482 0.949251 0.835459 W\n0.949251 0.504482 0.835459 W\n0.050749 0.495518 0.164541 W\n0.613450 0.866057 0.028872 O\n0.386550 0.133943 0.971128 O\n0.133943 0.386550 0.971128 O\n0.866057 0.613450 0.028872 O\n0.320017 0.767163 0.353619 O\n0.679983 0.232837 0.646381 O\n0.232837 0.679983 0.646381 O\n0.767163 0.320017 0.353619 O\n0.151028 0.151028 0.099831 O\n0.848972 0.848972 0.900169 O\n0.612141 0.612141 0.030714 O\n0.387859 0.387859 0.969286 O\n0.639336 0.639336 0.605925 O\n0.360664 0.360664 0.394075 O\n0.445157 0.684498 0.184047 O\n0.554843 0.315502 0.815953 O\n0.315502 0.554843 0.815953 O\n0.684498 0.445157 0.184047 O\n0.789682 0.039906 0.997855 O\n0.210318 0.960094 0.002145 O\n0.960094 0.210318 0.002145 O\n0.039906 0.789682 0.997855 O\n0.633671 0.887483 0.482540 O\n0.366329 0.112517 0.517460 O\n0.112517 0.366329 0.517460 O\n0.887483 0.633671 0.482540 O\n0.731291 0.082646 0.510517 O\n0.268709 0.917354 0.489483 O\n0.917354 0.268709 0.489483 O\n0.082646 0.731291 0.510517 O\n0.581350 0.229426 0.004693 O\n0.418650 0.770574 0.995307 O\n0.770574 0.418650 0.995307 O\n0.229426 0.581350 0.004693 O\n0.527340 0.288581 0.509488 O\n0.472660 0.711419 0.490512 O\n0.711419 0.472660 0.490512 O\n0.288581 0.527340 0.509488 O\n0.697775 0.169572 0.150585 O\n0.302225 0.830428 0.849415 O\n0.830428 0.302225 0.849415 O\n0.169572 0.697775 0.150585 O\n0.554100 0.204688 0.341622 O\n0.445900 0.795312 0.658378 O\n0.795312 0.445900 0.658378 O\n0.204688 0.554100 0.341622 O\n0.791791 0.062819 0.319239 O\n0.208209 0.937181 0.680761 O\n0.937181 0.208209 0.680761 O\n0.062819 0.791791 0.319239 O\n0.313908 0.951834 0.157111 O\n0.686092 0.048166 0.842889 O\n0.048166 0.686092 0.842889 O\n0.951834 0.313908 0.157111 O\n0.953821 0.953821 0.157426 O\n0.046179 0.046179 0.842574 O\n0.896587 0.896587 0.457812 O\n0.103413 0.103413 0.542188 O\n",
            "nsites": 101,
            "nelements": 8,
            "elements": [
                "K",
                "Ba",
                "Na",
                "Ti",
                "Mn",
                "Si",
                "W",
                "O"
            ],
            "chemical_system": "Ba-K-Mn-Na-O-Si-Ti-W",
            "density": 4.282378351402225,
            "density_atomic": 0.06838390832933738,
            "volume": 1476.9556532742072,
            "volume_molar": 8.806371129004981,
            "formula_full": "K4 Ba2 Na4 Ti8 Mn1 Si16 W8 O58",
            "formula_reduced": "K4Ba2Na4Ti8MnSi16(W4O29)2",
            "formula_anonymous": "AB2C4D4E8F8G16H58",
            "energy": -819.63846226,
            "energy_per_atom": -8.11523229960396,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -742.62046226,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 35.333604,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:21.480000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1221915",
            "created_at": "2022-09-04T14:46:35.762978Z",
            "structure_string": "Na4 Ca4 Zr4 Mn2 Fe2 Si8 O34 F2\n1.0\n7.252826 0.000000 0.000000\n-0.017183 10.004436 0.000000\n-3.457952 -0.082600 10.432235\nNa Ca Zr Mn Fe Si O F\n4 4 4 2 2 8 34 2\ndirect\n0.662106 0.884209 0.070068 Na\n0.342427 0.385349 0.427241 Na\n0.343968 0.114005 0.928694 Na\n0.656614 0.617212 0.567978 Na\n0.480694 0.606332 0.203832 Ca\n0.525557 0.107784 0.303982 Ca\n0.527115 0.391266 0.804840 Ca\n0.482986 0.896416 0.704111 Ca\n0.976632 0.600452 0.209341 Zr\n0.023151 0.103807 0.292425 Zr\n0.021780 0.394771 0.790945 Zr\n0.976646 0.900050 0.711884 Zr\n0.846209 0.116525 0.939887 Mn\n0.137053 0.624175 0.558371 Mn\n0.134885 0.874422 0.058003 Fe\n0.839133 0.390497 0.438383 Fe\n0.782625 0.831157 0.379934 Si\n0.214560 0.326148 0.119058 Si\n0.216339 0.172014 0.619282 Si\n0.782668 0.669867 0.879607 Si\n0.332457 0.830719 0.383943 Si\n0.667503 0.330047 0.116906 Si\n0.668539 0.169903 0.615974 Si\n0.332339 0.671334 0.885458 Si\n0.787897 0.736763 0.258824 O\n0.222555 0.235412 0.244584 O\n0.222739 0.264843 0.744967 O\n0.785410 0.762385 0.757224 O\n0.031953 0.510302 0.379394 O\n0.960107 0.018802 0.121459 O\n0.953122 0.471376 0.615498 O\n0.031141 0.988241 0.883329 O\n0.825649 0.985707 0.349628 O\n0.172878 0.481003 0.149334 O\n0.175830 0.018090 0.654196 O\n0.826151 0.515325 0.847699 O\n0.549994 0.828258 0.366339 O\n0.440547 0.321190 0.116729 O\n0.444190 0.176768 0.620830 O\n0.550522 0.671907 0.868564 O\n0.341385 0.741646 0.019553 O\n0.673461 0.238909 0.484788 O\n0.671561 0.258709 0.984752 O\n0.343877 0.761201 0.518247 O\n0.274544 0.989995 0.376081 O\n0.721709 0.489040 0.120037 O\n0.724786 0.010827 0.622388 O\n0.271172 0.512280 0.873496 O\n0.203158 0.748161 0.255475 O\n0.792069 0.253103 0.249029 O\n0.791735 0.251058 0.746515 O\n0.204483 0.753891 0.757524 O\n0.909872 0.721031 0.021260 O\n0.082521 0.226414 0.480717 O\n0.075759 0.268066 0.980697 O\n0.908806 0.779670 0.521780 O\n0.617208 0.492774 0.380868 O\n0.629891 0.009091 0.883844 O\n0.403273 0.002780 0.116087 F\n0.404061 0.496519 0.618120 F\n",
            "nsites": 60,
            "nelements": 8,
            "elements": [
                "Na",
                "Ca",
                "Zr",
                "Mn",
                "Fe",
                "Si",
                "O",
                "F"
            ],
            "chemical_system": "Ca-F-Fe-Mn-Na-O-Si-Zr",
            "density": 3.6094552661149737,
            "density_atomic": 0.07926364136871406,
            "volume": 756.9674943508518,
            "volume_molar": 7.597608002875556,
            "formula_full": "Na4 Ca4 Zr4 Mn2 Fe2 Si8 O34 F2",
            "formula_reduced": "Na2Ca2Zr2MnFeSi4O17F",
            "formula_anonymous": "ABCD2E2F2G4H17",
            "energy": -485.87083152,
            "energy_per_atom": -8.097847192,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -453.74083152,
            "band_gap": 1.7381000000000002,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 18.0001577,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:43.145000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1221055",
            "created_at": "2022-09-04T14:39:09.595008Z",
            "structure_string": "Na1 Mg2 Al6 V1 Si6 B3 H3 O31\n1.0\n8.056804 5.246609 0.000000\n-8.056804 5.246609 0.000000\n0.000000 3.333558 6.415584\nNa Mg Al V Si B H O\n1 2 6 1 6 3 3 31\ndirect\n0.995467 0.995467 0.779790 Na\n0.998597 0.815952 0.426230 Mg\n0.815952 0.998597 0.426230 Mg\n0.560115 0.332173 0.093321 Al\n0.775415 0.443288 0.651999 Al\n0.668595 0.224824 0.427305 Al\n0.443288 0.775415 0.651999 Al\n0.332173 0.560115 0.093321 Al\n0.224824 0.668595 0.427305 Al\n0.178458 0.178458 0.243546 V\n0.382387 0.192897 0.807959 Si\n0.810803 0.617161 0.193042 Si\n0.806451 0.188795 0.004358 Si\n0.617161 0.810803 0.193042 Si\n0.192897 0.382387 0.807959 Si\n0.188795 0.806451 0.004358 Si\n0.333094 0.000951 0.440278 B\n0.668702 0.668702 0.772614 B\n0.000951 0.333094 0.440278 B\n0.383655 0.383655 0.367965 H\n0.999780 0.615290 0.753314 H\n0.615290 0.999780 0.753314 H\n0.571279 0.283802 0.635557 O\n0.713291 0.428859 0.206595 O\n0.715033 0.286004 0.920064 O\n0.428859 0.713291 0.206595 O\n0.283802 0.571279 0.635557 O\n0.286004 0.715033 0.920064 O\n0.484077 0.149239 0.350410 O\n0.665012 0.516140 0.835384 O\n0.851606 0.333608 0.501855 O\n0.516140 0.665012 0.835384 O\n0.149239 0.484077 0.350410 O\n0.333608 0.851606 0.501855 O\n0.187945 0.001580 0.462109 O\n0.812716 0.812716 0.649989 O\n0.001580 0.187945 0.462109 O\n0.281724 0.281724 0.721679 O\n0.000074 0.719604 0.004651 O\n0.719604 0.000074 0.004651 O\n0.280128 0.999736 0.836195 O\n0.719963 0.719963 0.117612 O\n0.999736 0.280128 0.836195 O\n0.009611 0.009611 0.215160 O\n0.386509 0.204983 0.026902 O\n0.818447 0.612470 0.414475 O\n0.794923 0.181934 0.233044 O\n0.612470 0.818447 0.414475 O\n0.204983 0.386509 0.026902 O\n0.181934 0.794923 0.233044 O\n0.395352 0.395352 0.225635 O\n0.000021 0.601550 0.623909 O\n0.601550 0.000021 0.623909 O\n",
            "nsites": 53,
            "nelements": 8,
            "elements": [
                "Na",
                "Mg",
                "Al",
                "V",
                "Si",
                "B",
                "H",
                "O"
            ],
            "chemical_system": "Al-B-H-Mg-Na-O-Si-V",
            "density": 3.0137342125333424,
            "density_atomic": 0.09771656227535347,
            "volume": 542.385024256711,
            "volume_molar": 6.16286596639609,
            "formula_full": "Na1 Mg2 Al6 V1 Si6 B3 H3 O31",
            "formula_reduced": "NaMg2Al6VSi6B3H3O31",
            "formula_anonymous": "ABC2D3E3F6G6H31",
            "energy": -413.47202561,
            "energy_per_atom": -7.801358973773585,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -390.47502561,
            "band_gap": 5.109,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.9985646,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:42.197000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-1204520",
            "created_at": "2022-09-04T14:44:07.503160Z",
            "structure_string": "Ag4 B40 P8 H160 C60 N4 Cl8 O12\n1.0\n0.000000 -10.702975 0.000000\n-13.707783 0.000000 4.456944\n0.075357 0.000000 -22.678874\nAg B P H C N Cl O\n4 40 8 160 60 4 8 12\ndirect\n0.446037 0.145268 0.528341 Ag\n0.053963 0.645268 0.028341 Ag\n0.553963 0.854732 0.471659 Ag\n0.946037 0.354732 0.971659 Ag\n0.379977 0.428772 0.560884 B\n0.120023 0.928772 0.060884 B\n0.620023 0.571228 0.439116 B\n0.879977 0.071228 0.939116 B\n0.310763 0.548807 0.590947 B\n0.189237 0.048807 0.090947 B\n0.689237 0.451193 0.409053 B\n0.810763 0.951193 0.909053 B\n0.230069 0.456023 0.534420 B\n0.269931 0.956023 0.034420 B\n0.769931 0.543977 0.465580 B\n0.730069 0.043977 0.965580 B\n0.121674 0.401667 0.573181 B\n0.378326 0.901667 0.073181 B\n0.878326 0.598333 0.426819 B\n0.621674 0.098333 0.926819 B\n0.396102 0.500640 0.641262 B\n0.103898 0.000640 0.141262 B\n0.603898 0.499360 0.358738 B\n0.896102 0.999360 0.858738 B\n0.219202 0.348376 0.619218 B\n0.280798 0.848376 0.119218 B\n0.780798 0.651624 0.380782 B\n0.719202 0.151624 0.880782 B\n0.287048 0.446933 0.680434 B\n0.212952 0.946933 0.180434 B\n0.712952 0.553067 0.319566 B\n0.787048 0.053067 0.819566 B\n0.148157 0.530249 0.600708 B\n0.351843 0.030249 0.100708 B\n0.851843 0.469751 0.399292 B\n0.648157 0.969751 0.899292 B\n0.135867 0.461473 0.653664 B\n0.364133 0.961473 0.153664 B\n0.864133 0.538527 0.346336 B\n0.635867 0.038527 0.846336 B\n0.248126 0.557309 0.665288 B\n0.251874 0.057309 0.165288 B\n0.751874 0.442691 0.334712 B\n0.748126 0.942691 0.834712 B\n0.488362 0.285429 0.623382 P\n0.011638 0.785429 0.123382 P\n0.511638 0.714571 0.376618 P\n0.988362 0.214571 0.876618 P\n0.283378 0.230677 0.485013 P\n0.216622 0.730677 0.985013 P\n0.716622 0.769323 0.514987 P\n0.783378 0.269323 0.014987 P\n0.351859 0.273697 0.703354 H\n0.148141 0.773697 0.203354 H\n0.648141 0.726303 0.296646 H\n0.851859 0.226303 0.796646 H\n0.466631 0.410431 0.526644 H\n0.033369 0.910431 0.026644 H\n0.533369 0.589569 0.473356 H\n0.966631 0.089569 0.973356 H\n0.645441 0.402750 0.677173 H\n0.854559 0.902750 0.177173 H\n0.354559 0.597250 0.322827 H\n0.145441 0.097250 0.822827 H\n0.350680 0.617035 0.577799 H\n0.149320 0.117035 0.077799 H\n0.649320 0.382965 0.422201 H\n0.850680 0.882965 0.922201 H\n0.384691 0.335801 0.437853 H\n0.115309 0.835801 0.937853 H\n0.615309 0.664199 0.562147 H\n0.884691 0.164199 0.062147 H\n0.220452 0.457088 0.482484 H\n0.279548 0.957088 0.982484 H\n0.779548 0.542912 0.517516 H\n0.720452 0.042912 0.017516 H\n0.476716 0.323020 0.798640 H\n0.023284 0.823020 0.298640 H\n0.523284 0.676980 0.201360 H\n0.976716 0.176980 0.701360 H\n0.500729 0.412185 0.760778 H\n0.999271 0.912185 0.260778 H\n0.499271 0.587815 0.239222 H\n0.000729 0.087815 0.739222 H\n0.616832 0.322808 0.757717 H\n0.883168 0.822808 0.257717 H\n0.383168 0.677192 0.242283 H\n0.116832 0.177192 0.742283 H\n0.069656 0.221901 0.448753 H\n0.430344 0.721901 0.948753 H\n0.930344 0.778099 0.551247 H\n0.569656 0.278099 0.051247 H\n0.975112 0.108091 0.500439 H\n0.524888 0.608091 0.000439 H\n0.024888 0.891909 0.499561 H\n0.475112 0.391909 0.999561 H\n0.035135 0.213783 0.556211 H\n0.464865 0.713783 0.056211 H\n0.964865 0.786217 0.443789 H\n0.535135 0.286217 0.943789 H\n0.119931 0.102126 0.538034 H\n0.380069 0.602126 0.038034 H\n0.880069 0.897874 0.461966 H\n0.619931 0.397874 0.961966 H\n0.028160 0.361528 0.550640 H\n0.471840 0.861528 0.050640 H\n0.971840 0.638472 0.449360 H\n0.528160 0.138472 0.949360 H\n0.496517 0.530652 0.660273 H\n0.003483 0.030652 0.160273 H\n0.503483 0.469348 0.339727 H\n0.996517 0.969348 0.839727 H\n0.743082 0.201914 0.596097 H\n0.756918 0.701914 0.096097 H\n0.256918 0.798086 0.403903 H\n0.243082 0.298086 0.903903 H\n0.720682 0.236703 0.678062 H\n0.779318 0.736703 0.178062 H\n0.279318 0.763297 0.321938 H\n0.220682 0.263297 0.821938 H\n0.834489 0.296858 0.646410 H\n0.665511 0.796858 0.146410 H\n0.165511 0.703142 0.353590 H\n0.334489 0.203142 0.853590 H\n0.194064 0.272915 0.627172 H\n0.305936 0.772915 0.127172 H\n0.805936 0.727085 0.372828 H\n0.694064 0.227085 0.872828 H\n0.302711 0.436448 0.729846 H\n0.197289 0.936448 0.229846 H\n0.697289 0.563552 0.270154 H\n0.802711 0.063552 0.770154 H\n0.069038 0.585018 0.594898 H\n0.430962 0.085018 0.094898 H\n0.930962 0.414982 0.405102 H\n0.569038 0.914982 0.905102 H\n0.048218 0.466054 0.686922 H\n0.451782 0.966054 0.186922 H\n0.951782 0.533946 0.313078 H\n0.548218 0.033946 0.813078 H\n0.384342 0.122339 0.353381 H\n0.115658 0.622339 0.853381 H\n0.615658 0.877661 0.646619 H\n0.884342 0.377661 0.146619 H\n0.507063 0.181194 0.404424 H\n0.992937 0.681194 0.904424 H\n0.492937 0.818806 0.595576 H\n0.007063 0.318806 0.095576 H\n0.465306 0.220638 0.339983 H\n0.034694 0.720638 0.839983 H\n0.534694 0.779362 0.660017 H\n0.965306 0.279362 0.160017 H\n0.272090 0.318525 0.341444 H\n0.227910 0.818525 0.841444 H\n0.727910 0.681475 0.658556 H\n0.772090 0.181475 0.158556 H\n0.158598 0.338309 0.400984 H\n0.341402 0.838309 0.900984 H\n0.841402 0.661691 0.599016 H\n0.658598 0.161691 0.099016 H\n0.182673 0.219571 0.348133 H\n0.317327 0.719571 0.848133 H\n0.817327 0.780429 0.651867 H\n0.682673 0.280429 0.151867 H\n0.242227 0.631914 0.707107 H\n0.257773 0.131914 0.207107 H\n0.757773 0.368086 0.292893 H\n0.742227 0.868086 0.792893 H\n0.582786 0.141613 0.690410 H\n0.917214 0.641613 0.190410 H\n0.417214 0.858387 0.309590 H\n0.082786 0.358387 0.809590 H\n0.433151 0.105199 0.656736 H\n0.066849 0.605199 0.156736 H\n0.566849 0.894801 0.343264 H\n0.933151 0.394801 0.843264 H\n0.452148 0.145039 0.738715 H\n0.047852 0.645039 0.238715 H\n0.547852 0.854961 0.261285 H\n0.952148 0.354961 0.761285 H\n0.205332 0.024995 0.426464 H\n0.294668 0.524995 0.926464 H\n0.794668 0.975005 0.573536 H\n0.705332 0.475005 0.073536 H\n0.190668 0.087360 0.370301 H\n0.309332 0.587360 0.870301 H\n0.809332 0.912640 0.629699 H\n0.690668 0.412640 0.129699 H\n0.055612 0.041680 0.397100 H\n0.444388 0.541680 0.897100 H\n0.944388 0.958320 0.602900 H\n0.555612 0.458320 0.102900 H\n0.788950 0.399228 0.587268 H\n0.711050 0.899228 0.087268 H\n0.211050 0.600772 0.412732 H\n0.288950 0.100772 0.912732 H\n0.638698 0.445857 0.580214 H\n0.861302 0.945857 0.080214 H\n0.361302 0.554143 0.419786 H\n0.138698 0.054143 0.919786 H\n0.679450 0.324145 0.535132 H\n0.820550 0.824145 0.035132 H\n0.320550 0.675855 0.464868 H\n0.179450 0.175855 0.964868 H\n0.192198 0.890299 0.649339 H\n0.307802 0.390299 0.149339 H\n0.807802 0.109701 0.350661 H\n0.692198 0.609701 0.850661 H\n0.255687 0.782073 0.662691 H\n0.244313 0.282073 0.162691 H\n0.744313 0.217927 0.337309 H\n0.755687 0.717927 0.837309 H\n0.374973 0.381490 0.622179 C\n0.125027 0.881490 0.122179 C\n0.625027 0.618510 0.377821 C\n0.874973 0.118510 0.877821 C\n0.453909 0.263685 0.699404 C\n0.046091 0.763685 0.199404 C\n0.546091 0.736315 0.300596 C\n0.953909 0.236315 0.800596 C\n0.255579 0.349025 0.544992 C\n0.244421 0.849025 0.044992 C\n0.744421 0.650975 0.455008 C\n0.755579 0.150975 0.955008 C\n0.647476 0.342017 0.633306 C\n0.852524 0.842017 0.133306 C\n0.352524 0.657983 0.366694 C\n0.147476 0.157983 0.866694 C\n0.334129 0.267132 0.415938 C\n0.165871 0.767132 0.915938 C\n0.665871 0.732868 0.584062 C\n0.834129 0.232868 0.084062 C\n0.515694 0.335188 0.756768 C\n0.984306 0.835188 0.256768 C\n0.484306 0.664812 0.243232 C\n0.015694 0.164812 0.743232 C\n0.127249 0.171294 0.464948 C\n0.372751 0.671294 0.964948 C\n0.872751 0.828706 0.535052 C\n0.627249 0.328706 0.035052 C\n0.061513 0.148189 0.518615 C\n0.438487 0.648189 0.018615 C\n0.938487 0.851811 0.481385 C\n0.561513 0.351811 0.981385 C\n0.740665 0.264124 0.639091 C\n0.759335 0.764124 0.139091 C\n0.259335 0.735876 0.360909 C\n0.240665 0.235876 0.860909 C\n0.428331 0.193219 0.376627 C\n0.071669 0.693219 0.876627 C\n0.571669 0.806781 0.623373 C\n0.928331 0.306781 0.123373 C\n0.229928 0.287016 0.375124 C\n0.270072 0.787016 0.875124 C\n0.770072 0.712984 0.624876 C\n0.729928 0.212984 0.124876 C\n0.482272 0.157548 0.695465 C\n0.017728 0.657548 0.195465 C\n0.517728 0.842452 0.304535 C\n0.982272 0.342452 0.804535 C\n0.147048 0.076182 0.411284 C\n0.352952 0.576182 0.911284 C\n0.852952 0.923818 0.588716 C\n0.647048 0.423818 0.088716 C\n0.689265 0.380124 0.580630 C\n0.810735 0.880124 0.080630 C\n0.310735 0.619876 0.419370 C\n0.189265 0.119876 0.919370 C\n0.209191 0.852205 0.683394 C\n0.290809 0.352205 0.183394 C\n0.790809 0.147795 0.316606 C\n0.709191 0.647795 0.816606 C\n0.689332 0.054369 0.445923 N\n0.810668 0.554369 0.945923 N\n0.310668 0.945631 0.554077 N\n0.189332 0.445631 0.054077 N\n0.063432 0.829008 0.713529 Cl\n0.436568 0.329008 0.213529 Cl\n0.936568 0.170992 0.286471 Cl\n0.563432 0.670992 0.786471 Cl\n0.309191 0.926245 0.742061 Cl\n0.190809 0.426245 0.242061 Cl\n0.690809 0.073755 0.257939 Cl\n0.809191 0.573755 0.757939 Cl\n0.592596 0.025439 0.470864 O\n0.907404 0.525439 0.970864 O\n0.407404 0.974561 0.529136 O\n0.092596 0.474561 0.029136 O\n0.708133 0.144596 0.458454 O\n0.791867 0.644596 0.958454 O\n0.291867 0.855404 0.541546 O\n0.208133 0.355404 0.041546 O\n0.758811 0.991253 0.410504 O\n0.741189 0.491253 0.910504 O\n0.241189 0.008747 0.589496 O\n0.258811 0.508747 0.089496 O\n",
            "nsites": 296,
            "nelements": 8,
            "elements": [
                "Ag",
                "B",
                "P",
                "H",
                "C",
                "N",
                "Cl",
                "O"
            ],
            "chemical_system": "Ag-B-C-Cl-H-N-O-P",
            "density": 1.2616277681840589,
            "density_atomic": 0.08905697575528816,
            "volume": 3323.714930690577,
            "volume_molar": 6.76212133740956,
            "formula_full": "Ag4 B40 P8 H160 C60 N4 Cl8 O12",
            "formula_reduced": "AgB10P2H40C15NCl2O3",
            "formula_anonymous": "ABC2D2E3F10G15H40",
            "energy": -1582.0178482499998,
            "energy_per_atom": -5.344654892736486,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1573.77384825,
            "band_gap": 2.0022,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.86e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:37.918000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1201468",
            "created_at": "2022-09-04T14:44:03.825016Z",
            "structure_string": "K2 P2 H24 Pt2 C4 N4 Cl4 O8\n1.0\n7.740287 0.012417 2.913033\n0.400546 8.839945 0.736709\n-0.042525 -0.118585 8.954006\nK P H Pt C N Cl O\n2 2 24 2 4 4 4 8\ndirect\n0.423466 0.217712 0.580196 K\n0.576534 0.782288 0.419804 K\n0.182095 0.782327 0.268022 P\n0.817905 0.217673 0.731978 P\n0.206040 0.544824 0.406755 H\n0.793960 0.455176 0.593245 H\n0.381391 0.562867 0.222807 H\n0.618609 0.437133 0.777193 H\n0.402498 0.803996 0.006237 H\n0.597502 0.196004 0.993763 H\n0.239541 0.953797 0.038642 H\n0.760459 0.046203 0.961358 H\n0.023347 0.501336 0.248966 H\n0.976653 0.498664 0.751034 H\n0.185245 0.372876 0.225379 H\n0.814755 0.627124 0.774621 H\n0.138649 0.025794 0.680400 H\n0.861351 0.974206 0.319600 H\n0.043067 0.766013 0.017421 H\n0.956933 0.233987 0.982579 H\n0.206957 0.794852 0.850471 H\n0.793043 0.205148 0.149529 H\n0.143208 0.195936 0.472324 H\n0.856792 0.804064 0.527676 H\n0.258398 0.091404 0.338466 H\n0.741602 0.908596 0.661534 H\n0.227834 0.901259 0.560717 H\n0.772166 0.098741 0.439283 H\n0.221584 0.516243 0.955868 Pt\n0.778416 0.483757 0.044132 Pt\n0.240577 0.580114 0.279508 C\n0.759423 0.419886 0.720492 C\n0.262569 0.830742 0.053808 C\n0.737431 0.169258 0.946192 C\n0.155957 0.485478 0.200618 N\n0.844043 0.514522 0.799382 N\n0.175382 0.748723 0.966242 N\n0.824618 0.251277 0.033758 N\n0.267343 0.254124 0.947707 Cl\n0.732657 0.745876 0.052293 Cl\n0.294172 0.549221 0.679472 Cl\n0.705828 0.450779 0.320528 Cl\n0.280105 0.866158 0.348982 O\n0.719895 0.133842 0.651018 O\n0.985096 0.803606 0.326552 O\n0.014904 0.196394 0.673448 O\n0.240317 0.197610 0.368521 O\n0.759683 0.802390 0.631479 O\n0.229717 0.942632 0.660042 O\n0.770283 0.057368 0.339958 O\n",
            "nsites": 50,
            "nelements": 8,
            "elements": [
                "K",
                "P",
                "H",
                "Pt",
                "C",
                "N",
                "Cl",
                "O"
            ],
            "chemical_system": "C-Cl-H-K-N-O-P-Pt",
            "density": 2.509726635739156,
            "density_atomic": 0.08139951030394321,
            "volume": 614.2543095566739,
            "volume_molar": 7.398251829173807,
            "formula_full": "K2 P2 H24 Pt2 C4 N4 Cl4 O8",
            "formula_reduced": "KPH12PtC2N2(ClO2)2",
            "formula_anonymous": "ABCD2E2F2G4H12",
            "energy": -271.31046355,
            "energy_per_atom": -5.426209271,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -261.91446355,
            "band_gap": 2.5977,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0014738,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:26.666000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1221086",
            "created_at": "2022-09-04T14:44:55.483888Z",
            "structure_string": "Na1 Mg3 V3 Cr3 Si6 B3 H3 O31\n1.0\n7.617341 0.000000 0.000000\n-2.532856 9.457648 0.000000\n-2.563426 -4.712186 8.219447\nNa Mg V Cr Si B H O\n1 3 3 3 6 3 3 31\ndirect\n0.770571 0.999876 0.000022 Na\n0.423191 0.769673 0.337935 Mg\n0.091742 0.664942 0.434811 Mg\n0.426603 0.336564 0.771678 Mg\n0.423195 0.997276 0.191574 V\n0.239090 0.812807 0.807494 V\n0.408238 0.182234 0.999699 V\n0.654653 0.563779 0.227583 Cr\n0.653000 0.227219 0.563626 Cr\n0.093271 0.439234 0.664419 Cr\n0.000498 0.813695 0.187778 Si\n0.815061 0.808158 0.622622 Si\n0.186558 0.377296 0.184343 Si\n0.001556 0.188219 0.814088 Si\n0.187349 0.185481 0.376475 Si\n0.815270 0.623288 0.807093 Si\n0.432287 0.670129 0.999328 B\n0.437436 0.001290 0.669681 B\n0.758519 0.331098 0.329056 B\n0.742912 0.002572 0.386490 H\n0.356814 0.611828 0.614716 H\n0.739289 0.381429 0.003472 H\n0.004541 0.999886 0.270624 O\n0.734882 0.728039 0.727393 O\n0.003584 0.269603 0.997836 O\n0.616991 0.006120 0.389833 O\n0.227417 0.608389 0.614055 O\n0.611984 0.381167 0.006034 O\n0.842578 0.725128 0.996219 O\n0.840489 0.998531 0.722739 O\n0.118333 0.270427 0.269736 O\n0.247300 0.016303 0.004644 O\n0.222853 0.828812 0.198267 O\n0.028958 0.801092 0.631977 O\n0.397058 0.371197 0.168241 O\n0.225266 0.197547 0.830992 O\n0.399779 0.174067 0.379541 O\n0.028622 0.626969 0.796899 O\n0.920903 0.716582 0.274378 O\n0.653931 0.717586 0.436847 O\n0.207572 0.558126 0.278548 O\n0.929677 0.279020 0.716568 O\n0.202894 0.281994 0.559261 O\n0.653446 0.437755 0.718111 O\n0.508496 0.677073 0.145312 O\n0.359117 0.856297 0.534183 O\n0.820868 0.474073 0.329766 O\n0.510202 0.149253 0.677876 O\n0.825683 0.325431 0.471757 O\n0.347350 0.526367 0.854639 O\n0.439260 0.817212 0.998730 O\n0.445427 0.007274 0.821603 O\n0.624686 0.184594 0.183403 O\n",
            "nsites": 53,
            "nelements": 8,
            "elements": [
                "Na",
                "Mg",
                "V",
                "Cr",
                "Si",
                "B",
                "H",
                "O"
            ],
            "chemical_system": "B-Cr-H-Mg-Na-O-Si-V",
            "density": 3.097790459890984,
            "density_atomic": 0.08950488239030431,
            "volume": 592.1464682661967,
            "volume_molar": 6.72828185365266,
            "formula_full": "Na1 Mg3 V3 Cr3 Si6 B3 H3 O31",
            "formula_reduced": "NaMg3V3Cr3Si6B3H3O31",
            "formula_anonymous": "AB3C3D3E3F3G6H31",
            "energy": -426.11160007,
            "energy_per_atom": -8.039841510754718,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -393.71760007,
            "band_gap": 1.4672,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 14.0000705,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:47.147000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-746679",
            "created_at": "2022-09-04T14:46:00.508995Z",
            "structure_string": "Co2 P4 H48 C16 S8 N2 Cl2 O8\n1.0\n-7.330071 0.000000 0.000000\n-0.014855 -8.780676 0.000000\n1.607710 1.513787 16.686488\nCo P H C S N Cl O\n2 4 48 16 8 2 2 8\ndirect\n0.249519 0.822480 0.755476 Co\n0.750481 0.177520 0.244524 Co\n0.181474 0.672072 0.903121 P\n0.818526 0.327928 0.096879 P\n0.269202 0.770159 0.574247 P\n0.730798 0.229841 0.425753 P\n0.330731 0.949282 0.956431 H\n0.669269 0.050718 0.043569 H\n0.381438 0.918514 0.060331 H\n0.618562 0.081486 0.939669 H\n0.154532 0.972679 0.024097 H\n0.845468 0.027321 0.975903 H\n0.371577 0.390042 0.933362 H\n0.628423 0.609958 0.066638 H\n0.277029 0.451355 0.026043 H\n0.722971 0.548645 0.973957 H\n0.175059 0.294223 0.961799 H\n0.824941 0.705777 0.038201 H\n0.135775 0.453686 0.554965 H\n0.864225 0.546314 0.445035 H\n0.382819 0.456901 0.565547 H\n0.617181 0.543099 0.434453 H\n0.260449 0.400895 0.469743 H\n0.739551 0.599105 0.530257 H\n0.265308 0.125435 0.490687 H\n0.734692 0.874565 0.509313 H\n0.150787 0.089937 0.577357 H\n0.849213 0.910063 0.422643 H\n0.397092 0.080061 0.581515 H\n0.602908 0.919939 0.418485 H\n0.504989 0.704076 0.287402 H\n0.495011 0.295924 0.712598 H\n0.387083 0.523705 0.284859 H\n0.612917 0.476295 0.715141 H\n0.379707 0.661844 0.370239 H\n0.620293 0.338156 0.629761 H\n0.051918 0.655699 0.355342 H\n0.948082 0.344301 0.644658 H\n0.927275 0.693404 0.261500 H\n0.072725 0.306596 0.738500 H\n0.051874 0.517102 0.269713 H\n0.948126 0.482898 0.730287 H\n0.335543 0.937225 0.276323 H\n0.664457 0.062775 0.723677 H\n0.211307 0.895667 0.359019 H\n0.788693 0.104333 0.640981 H\n0.087263 0.931519 0.265268 H\n0.912737 0.068481 0.734732 H\n0.345129 0.746393 0.162066 H\n0.654871 0.253607 0.837934 H\n0.098044 0.752968 0.150403 H\n0.901956 0.247032 0.849597 H\n0.211534 0.572932 0.158003 H\n0.788466 0.427068 0.841997 H\n0.276514 0.907273 0.009134 C\n0.723486 0.092727 0.990866 C\n0.245459 0.404620 0.963587 C\n0.754541 0.595380 0.036413 C\n0.259376 0.475830 0.525426 C\n0.740624 0.524170 0.474574 C\n0.267951 0.059552 0.543137 C\n0.732049 0.940448 0.456863 C\n0.385016 0.645903 0.305177 C\n0.614984 0.354097 0.694823 C\n0.048529 0.639526 0.289917 C\n0.951471 0.360474 0.710083 C\n0.212328 0.883248 0.293555 C\n0.787672 0.116752 0.706445 C\n0.218107 0.695550 0.177226 C\n0.781893 0.304450 0.822774 C\n0.408650 0.668437 0.843171 S\n0.591350 0.331563 0.156829 S\n0.979012 0.774775 0.843464 S\n0.020988 0.225225 0.156536 S\n0.050830 0.770558 0.638804 S\n0.949170 0.229442 0.361196 S\n0.497449 0.777211 0.647007 S\n0.502551 0.222789 0.352993 S\n0.216077 0.715585 0.266538 N\n0.783923 0.284415 0.733462 N\n0.304356 0.077002 0.790542 Cl\n0.695644 0.922998 0.209458 Cl\n0.228521 0.746200 0.994385 O\n0.771479 0.253800 0.005615 O\n0.119587 0.504169 0.920874 O\n0.880413 0.495831 0.079126 O\n0.257430 0.631253 0.503245 O\n0.742570 0.368747 0.496755 O\n0.254565 0.900457 0.511809 O\n0.745435 0.099543 0.488191 O\n",
            "nsites": 90,
            "nelements": 8,
            "elements": [
                "Co",
                "P",
                "H",
                "C",
                "S",
                "N",
                "Cl",
                "O"
            ],
            "chemical_system": "C-Cl-Co-H-N-O-P-S",
            "density": 1.4931794414243615,
            "density_atomic": 0.08379950154026411,
            "volume": 1073.9920685179334,
            "volume_molar": 7.186368235265066,
            "formula_full": "Co2 P4 H48 C16 S8 N2 Cl2 O8",
            "formula_reduced": "CoP2H24C8S4NClO4",
            "formula_anonymous": "ABCD2E4F4G8H24",
            "energy": -484.73414062,
            "energy_per_atom": -5.385934895777778,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -469.9881406200001,
            "band_gap": 2.0123,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 5.9999873,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:16.329000Z",
            "spacegroup": 2
        }
    ]
}