GET /third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=81
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=energy_uncorrected&page=82",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=80",
    "results": [
        {
            "id": "mp-1183029",
            "created_at": "2022-09-04T14:47:29.718424Z",
            "structure_string": "Ag16 C48 N48 O32\n1.0\n7.728908 -0.000533 1.636583\n2.913745 14.194876 5.318195\n-0.026799 -0.375244 19.257096\nAg C N O\n16 48 48 32\ndirect\n0.637925 0.432059 0.785230 Ag\n0.853560 0.066948 0.714873 Ag\n0.090238 0.145906 0.074502 Ag\n0.144904 0.426310 0.949177 Ag\n0.909255 0.853245 0.926468 Ag\n0.482264 0.927282 0.448765 Ag\n0.771222 0.453902 0.322386 Ag\n0.224663 0.545862 0.678136 Ag\n0.688720 0.648214 0.573724 Ag\n0.450685 0.953799 0.822042 Ag\n0.855724 0.573752 0.051585 Ag\n0.364119 0.566488 0.214033 Ag\n0.146032 0.933143 0.285811 Ag\n0.310348 0.353672 0.425664 Ag\n0.549650 0.046585 0.178477 Ag\n0.520100 0.072789 0.551534 Ag\n0.194536 0.324897 0.215366 C\n0.093932 0.082060 0.389202 C\n0.632703 0.113007 0.332631 C\n0.804454 0.674827 0.785368 C\n0.757009 0.392360 0.540921 C\n0.282518 0.582424 0.392924 C\n0.514714 0.121410 0.992216 C\n0.308196 0.892727 0.041113 C\n0.696426 0.754049 0.339100 C\n0.365663 0.887194 0.667268 C\n0.819028 0.847241 0.530837 C\n0.303916 0.245196 0.661118 C\n0.273935 0.160049 0.843275 C\n0.484321 0.879359 0.007861 C\n0.966875 0.700518 0.165529 C\n0.789310 0.745985 0.161400 C\n0.564425 0.417285 0.110830 C\n0.908771 0.918573 0.610906 C\n0.717961 0.417398 0.607070 C\n0.742407 0.082938 0.892852 C\n0.242518 0.607278 0.459251 C\n0.371681 0.621269 0.492398 C\n0.254516 0.740756 0.704327 C\n0.833276 0.799343 0.334055 C\n0.723111 0.659477 0.343775 C\n0.196816 0.652798 0.969194 C\n0.947181 0.874114 0.554850 C\n0.256718 0.918021 0.107118 C\n0.033982 0.299724 0.834845 C\n0.805764 0.346023 0.030623 C\n0.921864 0.611799 0.833256 C\n0.626868 0.379147 0.507921 C\n0.691074 0.107678 0.959149 C\n0.077290 0.387500 0.167047 C\n0.437366 0.581548 0.888764 C\n0.727775 0.840747 0.157055 C\n0.168078 0.199650 0.664958 C\n0.375591 0.625554 0.945095 C\n0.701591 0.758361 0.796945 C\n0.275244 0.339979 0.656522 C\n0.263081 0.824430 0.715408 C\n0.211591 0.254690 0.838969 C\n0.626948 0.372914 0.054765 C\n0.735642 0.175586 0.284593 C\n0.183190 0.153389 0.469373 C\n0.297804 0.241168 0.204085 C\n0.055617 0.126580 0.445081 C\n0.743156 0.259425 0.295641 C\n0.509125 0.455686 0.156687 N\n0.020983 0.558716 0.872548 N\n0.679403 0.440995 0.661273 N\n0.978223 0.440382 0.127594 N\n0.946841 0.838572 0.327438 N\n0.067893 0.617351 0.493834 N\n0.113573 0.661364 0.171111 N\n0.254740 0.418816 0.653685 N\n0.480570 0.631628 0.520423 N\n0.321413 0.559216 0.338522 N\n0.751144 0.328880 0.305756 N\n0.336909 0.309060 0.829970 N\n0.708141 0.826435 0.510679 N\n0.450837 0.940467 0.628084 N\n0.547277 0.059923 0.371888 N\n0.055464 0.160238 0.670395 N\n0.612836 0.827612 0.807070 N\n0.672097 0.919452 0.154573 N\n0.631901 0.869641 0.980099 N\n0.499531 0.633666 0.984269 N\n0.931705 0.381189 0.506303 N\n0.844875 0.148432 0.225068 N\n0.820560 0.117826 0.993860 N\n0.884032 0.134742 0.484318 N\n0.245528 0.671339 0.694401 N\n0.878535 0.956961 0.656812 N\n0.118325 0.865878 0.515379 N\n0.216673 0.351707 0.275028 N\n0.491742 0.543715 0.842493 N\n0.367215 0.131275 0.020078 N\n0.741984 0.580805 0.346520 N\n0.123453 0.043499 0.343423 N\n0.957887 0.325271 0.010593 N\n0.525440 0.808309 0.330701 N\n0.155389 0.851251 0.775372 N\n0.218465 0.941756 0.161260 N\n0.782261 0.649018 0.725180 N\n0.475074 0.191486 0.670179 N\n0.294451 0.173786 0.489507 N\n0.329409 0.081315 0.845782 N\n0.178421 0.882337 0.006541 N\n0.780910 0.059814 0.838435 N\n0.044767 0.673631 0.989296 N\n0.517248 0.369155 0.480104 N\n0.663040 0.692413 0.169992 N\n0.503080 0.365176 0.015270 N\n0.385993 0.171658 0.194234 N\n0.887104 0.338476 0.829239 N\n0.951089 0.606098 0.464045 O\n0.497646 0.271918 0.825825 O\n0.966930 0.361952 0.444994 O\n0.129676 0.428720 0.283506 O\n0.593042 0.229077 0.675062 O\n0.844414 0.071021 0.216995 O\n0.773514 0.102222 0.464743 O\n0.049604 0.390960 0.536413 O\n0.340375 0.396960 0.035382 O\n0.942870 0.202762 0.181106 O\n0.222677 0.862831 0.945407 O\n0.502628 0.730023 0.174534 O\n0.156682 0.928428 0.783523 O\n0.502763 0.104895 0.674329 O\n0.499172 0.894779 0.326147 O\n0.867215 0.571841 0.716482 O\n0.280663 0.395543 0.825792 O\n0.031360 0.637358 0.554886 O\n0.058022 0.796771 0.819705 O\n0.717975 0.605927 0.174007 O\n0.229433 0.897592 0.535294 O\n0.324607 0.297013 0.319002 O\n0.020633 0.892556 0.036818 O\n0.552730 0.329780 0.963247 O\n0.450104 0.669715 0.035948 O\n0.674643 0.704296 0.681305 O\n0.775675 0.137203 0.055113 O\n0.978498 0.106909 0.964128 O\n0.155436 0.830392 0.463436 O\n0.845431 0.170761 0.535974 O\n0.662157 0.601278 0.964653 O\n0.405783 0.771268 0.326505 O\n",
            "nsites": 144,
            "nelements": 4,
            "elements": [
                "Ag",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "Ag-C-N-O",
            "density": 2.72205581662145,
            "density_atomic": 0.06770097798148325,
            "volume": 2127.0002929556663,
            "volume_molar": 8.895204972736291,
            "formula_full": "Ag16 C48 N48 O32",
            "formula_reduced": "AgC3N3O2",
            "formula_anonymous": "AB2C3D3",
            "energy": -1052.74770474,
            "energy_per_atom": -7.310747949583334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1013.43570474,
            "band_gap": 2.3286,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 2.9e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:09.487000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-574458",
            "created_at": "2022-09-04T14:47:22.544992Z",
            "structure_string": "Zr42 Re50\n1.0\n8.051840 -12.983346 0.000000\n8.051840 12.983346 0.000000\n-12.883409 0.000000 8.210797\nZr Re\n42 50\ndirect\n0.550330 0.319336 0.435323 Zr\n0.054351 0.750000 0.445649 Zr\n0.315380 0.548151 0.774013 Zr\n0.455738 0.361394 0.937811 Zr\n0.274013 0.048151 0.815380 Zr\n0.955738 0.437811 0.861394 Zr\n0.638606 0.062189 0.544262 Zr\n0.548151 0.774013 0.315380 Zr\n0.138606 0.044262 0.562189 Zr\n0.437811 0.861394 0.955738 Zr\n0.435323 0.550330 0.319336 Zr\n0.945649 0.250000 0.554351 Zr\n0.937811 0.455738 0.361394 Zr\n0.774013 0.315380 0.548151 Zr\n0.361394 0.937811 0.455738 Zr\n0.180664 0.949670 0.064677 Zr\n0.815380 0.274013 0.048151 Zr\n0.062189 0.544262 0.638606 Zr\n0.684620 0.451849 0.225987 Zr\n0.544262 0.638606 0.062189 Zr\n0.554351 0.945649 0.250000 Zr\n0.184620 0.725987 0.951849 Zr\n0.048151 0.815380 0.274013 Zr\n0.064677 0.180664 0.949670 Zr\n0.680664 0.564677 0.449670 Zr\n0.319336 0.435323 0.550330 Zr\n0.044263 0.562189 0.138606 Zr\n0.951849 0.184620 0.725987 Zr\n0.564677 0.449670 0.680664 Zr\n0.449670 0.680664 0.564677 Zr\n0.725987 0.951849 0.184620 Zr\n0.861394 0.955738 0.437811 Zr\n0.250000 0.554351 0.945649 Zr\n0.750000 0.445649 0.054351 Zr\n0.935323 0.819336 0.050330 Zr\n0.451849 0.225987 0.684620 Zr\n0.445649 0.054351 0.750000 Zr\n0.949670 0.064677 0.180664 Zr\n0.819336 0.050330 0.935323 Zr\n0.050330 0.935323 0.819336 Zr\n0.225987 0.684620 0.451849 Zr\n0.562189 0.138606 0.044262 Zr\n0.688950 0.572058 0.981712 Re\n0.885364 0.881908 0.235516 Re\n0.311050 0.427942 0.018288 Re\n0.735516 0.381908 0.385364 Re\n0.427942 0.018288 0.311050 Re\n0.632701 0.693927 0.929824 Re\n0.072058 0.188950 0.481712 Re\n0.385364 0.735516 0.381908 Re\n0.750000 0.194699 0.305301 Re\n0.070176 0.367299 0.306073 Re\n0.367299 0.306073 0.070176 Re\n0.810711 0.689289 0.750000 Re\n0.572058 0.981712 0.688950 Re\n0.189289 0.310711 0.250000 Re\n0.264484 0.618092 0.614636 Re\n0.811050 0.518288 0.927942 Re\n0.929824 0.632701 0.693927 Re\n0.194699 0.305301 0.750000 Re\n0.429824 0.193927 0.132701 Re\n0.764484 0.114636 0.118092 Re\n0.927942 0.811050 0.518288 Re\n0.570176 0.806073 0.867299 Re\n0.693927 0.929824 0.632701 Re\n0.118092 0.764484 0.114636 Re\n0.618092 0.614636 0.264484 Re\n0.132701 0.429824 0.193927 Re\n0.867299 0.570176 0.806073 Re\n0.193927 0.132701 0.429824 Re\n0.306073 0.070176 0.367299 Re\n0.881908 0.235516 0.885364 Re\n0.518288 0.927942 0.811050 Re\n0.500000 0.500000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.250000 0.189289 0.310711 Re\n0.305301 0.750000 0.194699 Re\n0.310711 0.250000 0.189289 Re\n0.235516 0.885364 0.881908 Re\n0.750000 0.810711 0.689289 Re\n0.114636 0.118092 0.764484 Re\n0.018288 0.311050 0.427942 Re\n0.689289 0.750000 0.810711 Re\n0.614636 0.264484 0.618092 Re\n0.381908 0.385364 0.735516 Re\n0.481712 0.072058 0.188950 Re\n0.694699 0.250000 0.805301 Re\n0.250000 0.805301 0.694699 Re\n0.805301 0.694699 0.250000 Re\n0.188950 0.481712 0.072058 Re\n0.806073 0.867299 0.570176 Re\n0.981712 0.688950 0.572058 Re\n",
            "nsites": 92,
            "nelements": 2,
            "elements": [
                "Zr",
                "Re"
            ],
            "chemical_system": "Re-Zr",
            "density": 12.711754156498094,
            "density_atomic": 0.053590862831539895,
            "volume": 1716.7105573425313,
            "volume_molar": 11.237252848363884,
            "formula_full": "Zr42 Re50",
            "formula_reduced": "Zr21Re25",
            "formula_anonymous": "A21B25",
            "energy": -1013.32662333,
            "energy_per_atom": -11.014419818804347,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1013.32662333,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0019232,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:05.121000Z",
            "spacegroup": 167
        },
        {
            "id": "mp-1217459",
            "created_at": "2022-09-04T14:39:46.845751Z",
            "structure_string": "Zn1 W36 O98\n1.0\n3.866498 14.246190 0.000000\n-3.866498 14.246190 0.000000\n0.000000 7.971482 17.257792\nZn W O\n1 36 98\ndirect\n0.191320 0.191320 0.596983 Zn\n0.320323 0.820517 0.357262 W\n0.820517 0.320323 0.357262 W\n0.179540 0.679545 0.642948 W\n0.679545 0.179540 0.642948 W\n0.465770 0.965755 0.220662 W\n0.965755 0.465770 0.220662 W\n0.034060 0.534256 0.780620 W\n0.534256 0.034060 0.780620 W\n0.611108 0.111135 0.083773 W\n0.111135 0.611108 0.083773 W\n0.888806 0.388471 0.917574 W\n0.388471 0.888806 0.917574 W\n0.123519 0.623518 0.276978 W\n0.623518 0.123519 0.276978 W\n0.377992 0.870579 0.726327 W\n0.870579 0.377992 0.726327 W\n0.246206 0.746199 0.258302 W\n0.746199 0.246206 0.258302 W\n0.253726 0.753635 0.741099 W\n0.753635 0.253726 0.741099 W\n0.169100 0.669268 0.448680 W\n0.669268 0.169100 0.448680 W\n0.332399 0.830866 0.550509 W\n0.830866 0.332399 0.550509 W\n0.480052 0.978932 0.414772 W\n0.978932 0.480052 0.414772 W\n0.017840 0.527631 0.584937 W\n0.527631 0.017840 0.584937 W\n0.371565 0.871508 0.127675 W\n0.871508 0.371565 0.127675 W\n0.128496 0.628475 0.873066 W\n0.628475 0.128496 0.873066 W\n0.249219 0.749198 0.082568 W\n0.749198 0.249219 0.082568 W\n0.250191 0.750352 0.918201 W\n0.750352 0.250191 0.918201 W\n0.296233 0.796256 0.138397 O\n0.796256 0.296233 0.138397 O\n0.203627 0.704176 0.861260 O\n0.704176 0.203627 0.861260 O\n0.531742 0.031830 0.143584 O\n0.031830 0.531742 0.143584 O\n0.967879 0.467786 0.857132 O\n0.467786 0.967879 0.857132 O\n0.557995 0.057618 0.353736 O\n0.057618 0.557995 0.353736 O\n0.954655 0.427886 0.639187 O\n0.427886 0.954655 0.639187 O\n0.498501 0.498501 0.082318 O\n0.998469 0.998469 0.082321 O\n0.501037 0.501037 0.918385 O\n0.000751 0.000751 0.918992 O\n0.311908 0.814630 0.458031 O\n0.814630 0.311908 0.458031 O\n0.187310 0.687291 0.541524 O\n0.687291 0.187310 0.541524 O\n0.610659 0.110708 0.189741 O\n0.110708 0.610659 0.189741 O\n0.892681 0.385604 0.810980 O\n0.385604 0.892681 0.810980 O\n0.618978 0.618978 0.130929 O\n0.119018 0.119018 0.130867 O\n0.382166 0.382166 0.868976 O\n0.882104 0.882104 0.868946 O\n0.495446 0.495446 0.257406 O\n0.995456 0.995456 0.257384 O\n0.504123 0.504123 0.742069 O\n0.004544 0.004544 0.741124 O\n0.321320 0.821152 0.243774 O\n0.821152 0.321320 0.243774 O\n0.179082 0.679146 0.755182 O\n0.679146 0.179082 0.755182 O\n0.167082 0.667107 0.339985 O\n0.667107 0.167082 0.339985 O\n0.336602 0.827022 0.661819 O\n0.827022 0.336602 0.661819 O\n0.394310 0.893716 0.021306 O\n0.893716 0.394310 0.021306 O\n0.105862 0.605872 0.979226 O\n0.605872 0.105862 0.979226 O\n0.430354 0.930103 0.148872 O\n0.930103 0.430354 0.148872 O\n0.070327 0.569794 0.852373 O\n0.569794 0.070327 0.852373 O\n0.377109 0.377109 0.277661 O\n0.877157 0.877157 0.277616 O\n0.625658 0.625658 0.721870 O\n0.124170 0.124170 0.715230 O\n0.479891 0.979023 0.312025 O\n0.979023 0.479891 0.312025 O\n0.017833 0.523194 0.686255 O\n0.523194 0.017833 0.686255 O\n0.862676 0.862676 0.081198 O\n0.362648 0.362648 0.081212 O\n0.137003 0.137003 0.919443 O\n0.637011 0.637011 0.918530 O\n0.245823 0.745701 0.366959 O\n0.745701 0.245823 0.366959 O\n0.254687 0.755376 0.630352 O\n0.755376 0.254687 0.630352 O\n0.711756 0.711756 0.223061 O\n0.211722 0.211722 0.223080 O\n0.288224 0.288224 0.776675 O\n0.788366 0.788366 0.777326 O\n0.390584 0.890450 0.304015 O\n0.890450 0.390584 0.304015 O\n0.109661 0.609443 0.695970 O\n0.609443 0.109661 0.695970 O\n0.493698 0.007611 0.499269 O\n0.007611 0.493698 0.499269 O\n0.089588 0.594761 0.523751 O\n0.594761 0.089588 0.523751 O\n0.407881 0.909039 0.478500 O\n0.909039 0.407881 0.478500 O\n0.696803 0.197375 0.031851 O\n0.197375 0.696803 0.031851 O\n0.802556 0.302539 0.968888 O\n0.302539 0.802556 0.968888 O\n0.565159 0.565159 0.356878 O\n0.065194 0.065194 0.356365 O\n0.434771 0.434771 0.643439 O\n0.934666 0.934666 0.643487 O\n0.201557 0.701498 0.198390 O\n0.701498 0.201557 0.198390 O\n0.297408 0.798445 0.802961 O\n0.798445 0.297408 0.802961 O\n0.731092 0.731092 0.413467 O\n0.230063 0.230063 0.413541 O\n0.268069 0.268069 0.586670 O\n0.766926 0.766926 0.586936 O\n0.418629 0.418629 0.448635 O\n0.918917 0.918917 0.448399 O\n0.581794 0.581794 0.551030 O\n0.083308 0.083308 0.553054 O\n",
            "nsites": 135,
            "nelements": 3,
            "elements": [
                "Zn",
                "W",
                "O"
            ],
            "chemical_system": "O-W-Zn",
            "density": 7.207007944683091,
            "density_atomic": 0.07100713996561539,
            "volume": 1901.2172587907723,
            "volume_molar": 8.481035516873613,
            "formula_full": "Zn1 W36 O98",
            "formula_reduced": "Zn(W18O49)2",
            "formula_anonymous": "AB36C98",
            "energy": -1240.12538525,
            "energy_per_atom": -9.186113964814814,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1013.03138525,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 19.9957274,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:33.147000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-558201",
            "created_at": "2022-09-04T14:40:07.432416Z",
            "structure_string": "Zr4 Mn8 Ag16 Mo24 O96\n1.0\n5.488457 0.000000 0.000000\n0.000000 19.317855 0.000000\n0.000000 0.000000 21.818844\nZr Mn Ag Mo O\n4 8 16 24 96\ndirect\n0.649417 0.000275 0.632124 Zr\n0.850583 0.999725 0.132124 Zr\n0.350583 0.500275 0.867876 Zr\n0.149417 0.499725 0.367876 Zr\n0.483590 0.962466 0.882901 Mn\n0.521738 0.266944 0.220034 Mn\n0.478262 0.766944 0.279966 Mn\n0.016410 0.037534 0.382901 Mn\n0.021738 0.233056 0.779966 Mn\n0.983590 0.537534 0.117099 Mn\n0.978262 0.733056 0.720034 Mn\n0.516410 0.462466 0.617099 Mn\n0.487453 0.787324 0.810492 Ag\n0.006890 0.220943 0.458860 Ag\n0.010128 0.223474 0.957127 Ag\n0.498474 0.921072 0.383905 Ag\n0.501526 0.421072 0.116095 Ag\n0.989872 0.723474 0.542873 Ag\n0.510128 0.276526 0.042873 Ag\n0.993110 0.720943 0.041140 Ag\n0.012547 0.212676 0.310492 Ag\n0.998474 0.578928 0.616095 Ag\n0.001526 0.078928 0.883905 Ag\n0.987453 0.712676 0.189508 Ag\n0.506890 0.279057 0.541140 Ag\n0.493110 0.779057 0.958860 Ag\n0.489872 0.776526 0.457127 Ag\n0.512547 0.287324 0.689508 Ag\n0.003637 0.175337 0.625311 Mo\n0.466054 0.813130 0.635178 Mo\n0.503637 0.324663 0.374689 Mo\n0.502383 0.092499 0.999850 Mo\n0.988372 0.396570 0.229401 Mo\n0.457681 0.586514 0.223576 Mo\n0.997617 0.907501 0.499850 Mo\n0.957681 0.913486 0.776424 Mo\n0.497617 0.592499 0.500150 Mo\n0.011628 0.896570 0.270599 Mo\n0.042319 0.413486 0.723576 Mo\n0.511628 0.603430 0.729401 Mo\n0.491638 0.086439 0.484488 Mo\n0.991638 0.413561 0.515512 Mo\n0.496363 0.824663 0.125311 Mo\n0.966054 0.686870 0.364822 Mo\n0.508362 0.586439 0.015512 Mo\n0.488372 0.103430 0.770599 Mo\n0.533946 0.313130 0.864822 Mo\n0.002383 0.407501 0.000150 Mo\n0.542319 0.086514 0.276424 Mo\n0.008362 0.913561 0.984488 Mo\n0.033946 0.186870 0.135178 Mo\n0.996363 0.675337 0.874689 Mo\n0.240851 0.368848 0.043711 O\n0.304808 0.159770 0.025019 O\n0.048958 0.957103 0.059573 O\n0.951042 0.457103 0.440427 O\n0.831562 0.466253 0.681740 O\n0.121989 0.454093 0.933383 O\n0.740851 0.131152 0.956289 O\n0.942674 0.591426 0.364751 O\n0.892016 0.333086 0.740174 O\n0.668438 0.533747 0.181740 O\n0.695066 0.317349 0.439994 O\n0.442674 0.908574 0.635249 O\n0.867929 0.952333 0.325595 O\n0.684766 0.031294 0.439522 O\n0.621989 0.045907 0.066617 O\n0.195192 0.840230 0.525019 O\n0.168438 0.966253 0.818260 O\n0.939595 0.447040 0.299323 O\n0.853736 0.207980 0.201453 O\n0.367929 0.547667 0.674405 O\n0.439595 0.052960 0.700677 O\n0.632071 0.047667 0.825595 O\n0.139139 0.717867 0.427520 O\n0.451042 0.042897 0.559573 O\n0.132071 0.452333 0.174405 O\n0.548958 0.542897 0.940427 O\n0.639139 0.782133 0.572480 O\n0.304934 0.817349 0.060006 O\n0.184766 0.468706 0.560478 O\n0.783184 0.638049 0.692836 O\n0.330779 0.037526 0.947858 O\n0.337977 0.663512 0.006096 O\n0.695668 0.894322 0.824188 O\n0.195066 0.182651 0.560006 O\n0.216816 0.138049 0.807164 O\n0.779167 0.606539 0.059821 O\n0.557326 0.408574 0.864751 O\n0.720833 0.393461 0.559821 O\n0.317739 0.234428 0.141711 O\n0.353736 0.292020 0.798547 O\n0.820669 0.701590 0.807961 O\n0.259149 0.631152 0.543711 O\n0.220833 0.106539 0.440179 O\n0.679331 0.298410 0.307961 O\n0.804808 0.340230 0.974981 O\n0.878011 0.954093 0.566617 O\n0.882385 0.087246 0.632383 O\n0.646264 0.792020 0.701453 O\n0.057326 0.091426 0.135249 O\n0.738369 0.763628 0.117277 O\n0.662023 0.163512 0.493904 O\n0.861173 0.956770 0.706479 O\n0.804934 0.682651 0.939994 O\n0.138827 0.456770 0.793521 O\n0.695192 0.659770 0.474981 O\n0.560405 0.552960 0.799323 O\n0.300431 0.671143 0.745603 O\n0.860861 0.217867 0.072480 O\n0.830779 0.462474 0.052142 O\n0.800431 0.828857 0.254397 O\n0.107984 0.833086 0.759826 O\n0.182261 0.765572 0.641711 O\n0.331562 0.033747 0.318260 O\n0.060405 0.947040 0.200677 O\n0.638827 0.043230 0.206479 O\n0.195668 0.605678 0.175812 O\n0.304332 0.394322 0.675812 O\n0.761631 0.236372 0.617277 O\n0.682261 0.734428 0.358289 O\n0.378011 0.545907 0.433383 O\n0.261631 0.263628 0.382723 O\n0.283184 0.861951 0.307164 O\n0.146264 0.707980 0.298547 O\n0.169221 0.962474 0.447858 O\n0.817739 0.265572 0.858289 O\n0.320669 0.798410 0.192039 O\n0.759149 0.868848 0.456289 O\n0.162023 0.336488 0.506096 O\n0.238369 0.736372 0.882723 O\n0.279167 0.893461 0.940179 O\n0.361173 0.543230 0.293521 O\n0.360861 0.282133 0.927520 O\n0.179331 0.201590 0.692039 O\n0.837977 0.836488 0.993904 O\n0.392016 0.166914 0.259826 O\n0.669221 0.537526 0.552142 O\n0.199569 0.328857 0.245603 O\n0.617615 0.912754 0.132383 O\n0.315234 0.531294 0.060478 O\n0.607984 0.666914 0.240174 O\n0.815234 0.968706 0.939522 O\n0.716816 0.361951 0.192836 O\n0.382385 0.412754 0.367617 O\n0.117615 0.587246 0.867617 O\n0.804332 0.105678 0.324188 O\n0.699569 0.171143 0.754397 O\n",
            "nsites": 148,
            "nelements": 5,
            "elements": [
                "Zr",
                "Mn",
                "Ag",
                "Mo",
                "O"
            ],
            "chemical_system": "Ag-Mn-Mo-O-Zr",
            "density": 4.571570181912891,
            "density_atomic": 0.0639765490639834,
            "volume": 2313.347658873944,
            "volume_molar": 9.413044073348212,
            "formula_full": "Zr4 Mn8 Ag16 Mo24 O96",
            "formula_reduced": "ZrMn2Ag4(MoO4)6",
            "formula_anonymous": "AB2C4D6E24",
            "energy": -1168.81932679,
            "energy_per_atom": -7.897427883716217,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1012.67532679,
            "band_gap": 2.1388,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 40.0955323,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:49.863000Z",
            "spacegroup": 19
        },
        {
            "id": "mp-604459",
            "created_at": "2022-09-04T14:46:14.097668Z",
            "structure_string": "Li16 B32 H32 O72\n1.0\n8.565324 0.000000 0.000000\n0.970465 12.189544 0.000000\n0.682648 3.918069 13.223065\nLi B H O\n16 32 32 72\ndirect\n0.249533 0.974235 0.008766 Li\n0.726727 0.247724 0.574892 Li\n0.714309 0.230916 0.274756 Li\n0.750467 0.025765 0.991234 Li\n0.273273 0.752276 0.425108 Li\n0.803659 0.631117 0.276818 Li\n0.255271 0.518152 0.491918 Li\n0.775038 0.252978 0.923475 Li\n0.682370 0.880756 0.231639 Li\n0.962819 0.474040 0.842682 Li\n0.317630 0.119244 0.768361 Li\n0.037181 0.525960 0.157318 Li\n0.196341 0.368883 0.723182 Li\n0.285691 0.769084 0.725244 Li\n0.744729 0.481848 0.508082 Li\n0.224962 0.747022 0.076525 Li\n0.098414 0.958495 0.830566 B\n0.451278 0.318671 0.094733 B\n0.636429 0.145691 0.135110 B\n0.970492 0.859623 0.123571 B\n0.140309 0.640789 0.638207 B\n0.034761 0.327305 0.500779 B\n0.519160 0.640553 0.375188 B\n0.595172 0.972155 0.840519 B\n0.500844 0.262896 0.810216 B\n0.658949 0.423862 0.723072 B\n0.846103 0.076594 0.780255 B\n0.459677 0.176000 0.997469 B\n0.901586 0.041505 0.169434 B\n0.859691 0.359211 0.361793 B\n0.153897 0.923406 0.219745 B\n0.548722 0.681329 0.905267 B\n0.363571 0.854309 0.864890 B\n0.001348 0.237502 0.690363 B\n0.341051 0.576138 0.276928 B\n0.045406 0.186116 0.400378 B\n0.540323 0.824000 0.002531 B\n0.910047 0.523967 0.659066 B\n0.404828 0.027845 0.159481 B\n0.409536 0.541220 0.669187 B\n0.480840 0.359447 0.624812 B\n0.954594 0.813884 0.599622 B\n0.499156 0.737104 0.189784 B\n0.590464 0.458780 0.330813 B\n0.089953 0.476033 0.340934 B\n0.965239 0.672695 0.499221 B\n0.029508 0.140377 0.876429 B\n0.998652 0.762498 0.309637 B\n0.259681 0.543740 0.045416 H\n0.392075 0.269273 0.540568 H\n0.203384 0.131643 0.579036 H\n0.728453 0.621122 0.082751 H\n0.125611 0.341528 0.099978 H\n0.243242 0.498405 0.834078 H\n0.751745 0.034401 0.565929 H\n0.563972 0.117576 0.441617 H\n0.740319 0.456260 0.954584 H\n0.070661 0.070084 0.321732 H\n0.121850 0.619583 0.975700 H\n0.874389 0.658472 0.900022 H\n0.003184 0.304984 0.189584 H\n0.271547 0.378878 0.917249 H\n0.607925 0.730727 0.459432 H\n0.138387 0.174802 0.992836 H\n0.929339 0.929916 0.678268 H\n0.634916 0.074391 0.638441 H\n0.489412 0.107837 0.339356 H\n0.685823 0.979628 0.370684 H\n0.420683 0.431530 0.176355 H\n0.248255 0.965599 0.434071 H\n0.878150 0.380417 0.024300 H\n0.579317 0.568470 0.823645 H\n0.436028 0.882424 0.558383 H\n0.510588 0.892163 0.660644 H\n0.314177 0.020372 0.629316 H\n0.796616 0.868357 0.420964 H\n0.756758 0.501595 0.165922 H\n0.365084 0.925609 0.361559 H\n0.861613 0.825198 0.007164 H\n0.996816 0.695016 0.810416 H\n0.455282 0.952270 0.804964 O\n0.869228 0.577777 0.561354 O\n0.558549 0.818058 0.107966 O\n0.931218 0.253468 0.336903 O\n0.796341 0.131948 0.172904 O\n0.947950 0.459765 0.304144 O\n0.130772 0.422223 0.438646 O\n0.584325 0.119768 0.370194 O\n0.076461 0.229329 0.779364 O\n0.453755 0.473854 0.279698 O\n0.882829 0.170356 0.686360 O\n0.868391 0.348304 0.470057 O\n0.374854 0.845336 0.972918 O\n0.432055 0.745627 0.845014 O\n0.380012 0.670544 0.184195 O\n0.607442 0.713416 0.983618 O\n0.890066 0.913104 0.617166 O\n0.383855 0.417706 0.113314 O\n0.567945 0.254373 0.154986 O\n0.175850 0.605856 0.040050 O\n0.201753 0.422893 0.862000 O\n0.640651 0.387433 0.632533 O\n0.272887 0.095452 0.636569 O\n0.141600 0.037316 0.879054 O\n0.858400 0.962684 0.120946 O\n0.523940 0.680353 0.463409 O\n0.314799 0.951522 0.227209 O\n0.944396 0.679890 0.393241 O\n0.361052 0.082439 0.060780 O\n0.727113 0.904548 0.363431 O\n0.042307 0.026521 0.216800 O\n0.441451 0.181942 0.892034 O\n0.818788 0.453467 0.731221 O\n0.426913 0.273550 0.720313 O\n0.625146 0.154664 0.027082 O\n0.573087 0.726450 0.279687 O\n0.700536 0.372618 0.322516 O\n0.619988 0.329456 0.815805 O\n0.055604 0.320110 0.606759 O\n0.392558 0.286584 0.016382 O\n0.098305 0.218570 0.479787 O\n0.867340 0.114496 0.870021 O\n0.685201 0.048478 0.772791 O\n0.203659 0.868052 0.827096 O\n0.901695 0.781430 0.520213 O\n0.476060 0.319647 0.536591 O\n0.068782 0.746532 0.663097 O\n0.662992 0.091812 0.565234 O\n0.824150 0.394144 0.959950 O\n0.798247 0.577107 0.138000 O\n0.109934 0.086896 0.382834 O\n0.024766 0.365108 0.126560 O\n0.415675 0.880232 0.629806 O\n0.117171 0.829644 0.313640 O\n0.299464 0.627382 0.677484 O\n0.337008 0.908188 0.434766 O\n0.368037 0.463910 0.619580 O\n0.631963 0.536090 0.380420 O\n0.957693 0.973479 0.783200 O\n0.544718 0.047730 0.195036 O\n0.359349 0.612567 0.367467 O\n0.616145 0.582294 0.886686 O\n0.034885 0.179127 0.965447 O\n0.132660 0.885504 0.129979 O\n0.131609 0.651696 0.529943 O\n0.181212 0.546533 0.268779 O\n0.638948 0.917561 0.939220 O\n0.546245 0.526146 0.720302 O\n0.965115 0.820873 0.034553 O\n0.923539 0.770671 0.220636 O\n0.975234 0.634892 0.873440 O\n0.052050 0.540235 0.695856 O\n",
            "nsites": 152,
            "nelements": 4,
            "elements": [
                "Li",
                "B",
                "H",
                "O"
            ],
            "chemical_system": "B-H-Li-O",
            "density": 1.9740230250324793,
            "density_atomic": 0.11009819529366409,
            "volume": 1380.5857543311363,
            "volume_molar": 5.469790620942685,
            "formula_full": "Li16 B32 H32 O72",
            "formula_reduced": "Li2B4H4O9",
            "formula_anonymous": "A2B4C4D9",
            "energy": -1061.99922743,
            "energy_per_atom": -6.98683702256579,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1012.53522743,
            "band_gap": 5.004300000000001,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002611,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:22.165000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1244885",
            "created_at": "2022-09-04T14:45:43.000718Z",
            "structure_string": "Hf34 O68\n1.0\n10.551113 0.039851 0.098697\n0.032441 11.363118 -0.220098\n0.091592 -0.218926 11.207792\nHf O\n34 68\ndirect\n0.669801 0.521069 0.838233 Hf\n0.341638 0.517189 0.139545 Hf\n0.643893 0.825263 0.462210 Hf\n0.146757 0.489838 0.401911 Hf\n0.529794 0.032023 0.047043 Hf\n0.611381 0.583313 0.580094 Hf\n0.646464 0.883856 0.767041 Hf\n0.343390 0.757021 0.955089 Hf\n0.963182 0.279077 0.925845 Hf\n0.975811 0.476142 0.706112 Hf\n0.784054 0.909800 0.235717 Hf\n0.123271 0.848338 0.453366 Hf\n0.866641 0.540505 0.139252 Hf\n0.380876 0.298732 0.573289 Hf\n0.054865 0.162812 0.443504 Hf\n0.339535 0.247061 0.210361 Hf\n0.174381 0.066355 0.002426 Hf\n0.724542 0.332901 0.519474 Hf\n0.106177 0.790783 0.154925 Hf\n0.382735 0.734158 0.355293 Hf\n0.600524 0.715234 0.104766 Hf\n0.685032 0.234042 0.832136 Hf\n0.608596 0.494483 0.299925 Hf\n0.373707 0.846387 0.643854 Hf\n0.855002 0.721597 0.927529 Hf\n0.849043 0.000190 0.978279 Hf\n0.559132 0.127481 0.377600 Hf\n0.303891 0.556780 0.689510 Hf\n0.901512 0.656743 0.433737 Hf\n0.788476 0.086203 0.589980 Hf\n0.726704 0.234456 0.170728 Hf\n0.043949 0.312812 0.207743 Hf\n0.390495 0.279238 0.867993 Hf\n0.138282 0.099806 0.704911 Hf\n0.235561 0.667462 0.076732 O\n0.455376 0.402211 0.239446 O\n0.963403 0.936673 0.123110 O\n0.338572 0.098877 0.083995 O\n0.008290 0.086970 0.888894 O\n0.461645 0.922443 0.785551 O\n0.463345 0.621781 0.991044 O\n0.777779 0.256998 0.673314 O\n0.663963 0.959360 0.936322 O\n0.003470 0.527234 0.531492 O\n0.716583 0.045532 0.133257 O\n0.479031 0.625367 0.214542 O\n0.267547 0.595168 0.309146 O\n0.473318 0.853202 0.045822 O\n0.868166 0.208374 0.467506 O\n0.314622 0.727102 0.775961 O\n0.729756 0.591447 0.006802 O\n0.724892 0.066167 0.762207 O\n0.548475 0.763673 0.628366 O\n0.345753 0.356896 0.034686 O\n0.131526 0.555583 0.749224 O\n0.066778 0.333240 0.395907 O\n0.531889 0.165749 0.935675 O\n0.196468 0.200035 0.572173 O\n0.805330 0.376532 0.868359 O\n0.536230 0.405949 0.528144 O\n0.964371 0.402186 0.062848 O\n0.699480 0.004167 0.386789 O\n0.976509 0.513127 0.283446 O\n0.251481 0.133036 0.855202 O\n0.529197 0.157115 0.195831 O\n0.762292 0.814868 0.077433 O\n0.797980 0.188079 0.979484 O\n0.719926 0.409608 0.160816 O\n0.979598 0.081909 0.617544 O\n0.743917 0.488583 0.428914 O\n0.201240 0.885238 0.013252 O\n0.246733 0.837356 0.287847 O\n0.560697 0.374270 0.859251 O\n0.169914 0.177650 0.267019 O\n0.324497 0.393994 0.747019 O\n0.038649 0.738773 0.316476 O\n0.507968 0.560553 0.729938 O\n0.973147 0.677397 0.070643 O\n0.539099 0.641292 0.424407 O\n0.390273 0.214221 0.398030 O\n0.442771 0.204761 0.702422 O\n0.663628 0.273565 0.341926 O\n0.717165 0.920744 0.598737 O\n0.889268 0.873479 0.857317 O\n0.211165 0.951098 0.625820 O\n0.682771 0.721707 0.835320 O\n0.214104 0.401529 0.225007 O\n0.889750 0.585136 0.819219 O\n0.281830 0.723650 0.520989 O\n0.597446 0.834260 0.258411 O\n0.998668 0.764491 0.541903 O\n0.815721 0.805322 0.367307 O\n0.895219 0.206591 0.224589 O\n0.041565 0.319176 0.770698 O\n0.100406 0.225535 0.050409 O\n0.753738 0.693784 0.542878 O\n0.745400 0.481198 0.663542 O\n0.276687 0.459295 0.530344 O\n0.616035 0.175913 0.537088 O\n0.449777 0.885145 0.465639 O\n0.723252 0.623914 0.234715 O\n0.047744 0.993410 0.395895 O\n",
            "nsites": 102,
            "nelements": 2,
            "elements": [
                "Hf",
                "O"
            ],
            "chemical_system": "Hf-O",
            "density": 8.847974964794751,
            "density_atomic": 0.075942877764561,
            "volume": 1343.114759440926,
            "volume_molar": 7.9298295472419555,
            "formula_full": "Hf34 O68",
            "formula_reduced": "HfO2",
            "formula_anonymous": "AB2",
            "energy": -1059.06643528,
            "energy_per_atom": -10.38300426745098,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1012.3504352800002,
            "band_gap": 3.4691,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1e-07,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:14.495000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-560974",
            "created_at": "2022-09-04T14:42:59.092287Z",
            "structure_string": "Be8 Al48 O80\n1.0\n13.958943 0.000000 0.000000\n0.000000 9.007699 0.000000\n0.000000 0.004019 9.646948\nBe Al O\n8 48 80\ndirect\n0.145397 0.344049 0.127666 Be\n0.644416 0.155954 0.374394 Be\n0.144416 0.844046 0.125606 Be\n0.355584 0.844046 0.625606 Be\n0.854603 0.655951 0.872334 Be\n0.645397 0.655951 0.372334 Be\n0.855584 0.155954 0.874394 Be\n0.354603 0.344049 0.627666 Be\n0.359476 0.122695 0.455040 Al\n0.460411 0.634684 0.529957 Al\n0.041164 0.128983 0.220299 Al\n0.542525 0.365715 0.941481 Al\n0.640524 0.877305 0.544960 Al\n0.140524 0.122695 0.955040 Al\n0.251634 0.129831 0.705529 Al\n0.155247 0.353558 0.461141 Al\n0.350569 0.941384 0.958779 Al\n0.748366 0.870169 0.294471 Al\n0.850569 0.058616 0.541221 Al\n0.351034 0.443344 0.294699 Al\n0.859476 0.877305 0.044960 Al\n0.041951 0.140405 0.692710 Al\n0.251699 0.629667 0.545724 Al\n0.640408 0.376965 0.205129 Al\n0.140408 0.623035 0.294871 Al\n0.039589 0.634684 0.029957 Al\n0.844264 0.145546 0.209759 Al\n0.155736 0.854454 0.790241 Al\n0.541951 0.859595 0.807290 Al\n0.655247 0.646442 0.038859 Al\n0.859592 0.376965 0.705129 Al\n0.751634 0.870169 0.794471 Al\n0.748301 0.370333 0.454276 Al\n0.458049 0.140405 0.192710 Al\n0.541164 0.871017 0.279701 Al\n0.458836 0.128983 0.720299 Al\n0.148966 0.443344 0.794699 Al\n0.649431 0.058616 0.041221 Al\n0.655736 0.145546 0.709759 Al\n0.960411 0.365316 0.970043 Al\n0.958836 0.871017 0.779701 Al\n0.851034 0.556656 0.205301 Al\n0.248366 0.129831 0.205529 Al\n0.248301 0.629667 0.045724 Al\n0.344753 0.353558 0.961141 Al\n0.958049 0.859595 0.307290 Al\n0.149431 0.941384 0.458779 Al\n0.751699 0.370333 0.954276 Al\n0.042525 0.634285 0.558519 Al\n0.359592 0.623035 0.794871 Al\n0.648966 0.556656 0.705301 Al\n0.844753 0.646442 0.538859 Al\n0.457475 0.634285 0.058519 Al\n0.344264 0.854454 0.290241 Al\n0.957475 0.365715 0.441481 Al\n0.539589 0.365316 0.470043 Al\n0.549847 0.008074 0.137609 O\n0.151027 0.253429 0.281350 O\n0.243207 0.504471 0.383199 O\n0.148559 0.519209 0.128535 O\n0.351441 0.519209 0.628535 O\n0.348973 0.253429 0.781350 O\n0.743207 0.495529 0.116801 O\n0.262358 0.755889 0.705688 O\n0.148804 0.241616 0.789123 O\n0.053815 0.751253 0.199394 O\n0.850091 0.244977 0.028997 O\n0.052081 0.258868 0.539167 O\n0.940761 0.000413 0.148491 O\n0.947919 0.741132 0.460833 O\n0.649909 0.244977 0.528997 O\n0.950153 0.008074 0.637609 O\n0.944060 0.751328 0.946877 O\n0.344395 0.008903 0.130660 O\n0.059411 0.497357 0.395392 O\n0.146364 0.019053 0.123312 O\n0.648804 0.758384 0.710877 O\n0.049847 0.991926 0.362391 O\n0.155605 0.008903 0.630660 O\n0.444060 0.248672 0.553123 O\n0.552081 0.741132 0.960833 O\n0.350091 0.755023 0.471003 O\n0.440761 0.999587 0.351509 O\n0.559239 0.000413 0.648491 O\n0.350112 0.739790 0.960986 O\n0.850112 0.260210 0.539014 O\n0.851196 0.758384 0.210877 O\n0.649888 0.260210 0.039014 O\n0.946185 0.248747 0.800606 O\n0.851441 0.480791 0.871465 O\n0.440589 0.497357 0.895392 O\n0.940589 0.502643 0.604608 O\n0.555782 0.244862 0.790317 O\n0.256793 0.504471 0.883199 O\n0.555940 0.751328 0.446877 O\n0.450177 0.493364 0.392027 O\n0.549823 0.506636 0.607973 O\n0.651027 0.746571 0.218650 O\n0.261796 0.255347 0.545663 O\n0.846668 0.491870 0.379387 O\n0.153332 0.508130 0.620613 O\n0.655605 0.991097 0.869340 O\n0.762358 0.244111 0.794312 O\n0.238204 0.255347 0.045663 O\n0.738204 0.744653 0.454337 O\n0.653332 0.491870 0.879387 O\n0.559411 0.502643 0.104608 O\n0.648559 0.480791 0.371465 O\n0.447919 0.258868 0.039167 O\n0.944218 0.244862 0.290317 O\n0.761796 0.744653 0.954337 O\n0.237642 0.755889 0.205688 O\n0.353636 0.019053 0.623312 O\n0.346668 0.508130 0.120613 O\n0.848973 0.746571 0.718650 O\n0.446185 0.751253 0.699394 O\n0.756793 0.495529 0.616801 O\n0.149909 0.755023 0.971003 O\n0.743236 0.995399 0.631216 O\n0.737642 0.244111 0.294312 O\n0.055782 0.755138 0.709683 O\n0.243236 0.004601 0.868784 O\n0.444218 0.755138 0.209683 O\n0.049823 0.493364 0.892027 O\n0.256764 0.004601 0.368784 O\n0.450153 0.991926 0.862391 O\n0.844395 0.991097 0.369340 O\n0.059239 0.999587 0.851509 O\n0.950177 0.506636 0.107973 O\n0.646364 0.980947 0.376688 O\n0.149888 0.739790 0.460986 O\n0.756764 0.995399 0.131216 O\n0.055940 0.248672 0.053123 O\n0.351196 0.241616 0.289123 O\n0.853636 0.980947 0.876688 O\n0.553815 0.248747 0.300606 O\n",
            "nsites": 136,
            "nelements": 3,
            "elements": [
                "Be",
                "Al",
                "O"
            ],
            "chemical_system": "Al-Be-O",
            "density": 3.6238773890669886,
            "density_atomic": 0.11211986638585289,
            "volume": 1212.9875318613497,
            "volume_molar": 5.371162983083848,
            "formula_full": "Be8 Al48 O80",
            "formula_reduced": "BeAl6O10",
            "formula_anonymous": "AB6C10",
            "energy": -1067.28333715,
            "energy_per_atom": -7.847671596691177,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1012.32333715,
            "band_gap": 5.4595,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0016129,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:04.254000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-746676",
            "created_at": "2022-09-04T14:45:54.606296Z",
            "structure_string": "Cs4 Mn4 H96 S8 O80\n1.0\n12.484571 0.000000 0.000000\n0.000000 12.484571 0.000000\n0.000000 0.000000 12.484571\nCs Mn H S O\n4 4 96 8 80\ndirect\n0.000000 0.000000 0.500000 Cs\n0.000000 0.500000 0.000000 Cs\n0.500000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Cs\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.222139 0.509081 0.231475 H\n0.777861 0.009081 0.268525 H\n0.277861 0.490919 0.731475 H\n0.722139 0.990919 0.768525 H\n0.231475 0.222139 0.509081 H\n0.268525 0.777861 0.009081 H\n0.731475 0.277861 0.490919 H\n0.768525 0.722139 0.990919 H\n0.509081 0.231475 0.222139 H\n0.009081 0.268525 0.777861 H\n0.490919 0.731475 0.277861 H\n0.990919 0.768525 0.722139 H\n0.777861 0.490919 0.768525 H\n0.222139 0.990919 0.731475 H\n0.722139 0.509081 0.268525 H\n0.277861 0.009081 0.231475 H\n0.768525 0.777861 0.490919 H\n0.731475 0.222139 0.990919 H\n0.268525 0.722139 0.509081 H\n0.231475 0.277861 0.009081 H\n0.490919 0.768525 0.777861 H\n0.990919 0.731475 0.222139 H\n0.509081 0.268525 0.722139 H\n0.009081 0.231475 0.277861 H\n0.182249 0.627185 0.223035 H\n0.817751 0.127185 0.276965 H\n0.317751 0.372815 0.723035 H\n0.682249 0.872815 0.776965 H\n0.223035 0.182249 0.627185 H\n0.276965 0.817751 0.127185 H\n0.723035 0.317751 0.372815 H\n0.776965 0.682249 0.872815 H\n0.627185 0.223035 0.182249 H\n0.127185 0.276965 0.817751 H\n0.372815 0.723035 0.317751 H\n0.872815 0.776965 0.682249 H\n0.817751 0.372815 0.776965 H\n0.182249 0.872815 0.723035 H\n0.682249 0.627185 0.276965 H\n0.317751 0.127185 0.223035 H\n0.776965 0.817751 0.372815 H\n0.723035 0.182249 0.872815 H\n0.276965 0.682249 0.627185 H\n0.223035 0.317751 0.127185 H\n0.372815 0.776965 0.817751 H\n0.872815 0.723035 0.182249 H\n0.627185 0.276965 0.682249 H\n0.127185 0.223035 0.317751 H\n0.478124 0.708110 0.934855 H\n0.521876 0.208110 0.565145 H\n0.021876 0.291890 0.434855 H\n0.978124 0.791890 0.065145 H\n0.934855 0.478124 0.708110 H\n0.565145 0.521876 0.208110 H\n0.434855 0.021876 0.291890 H\n0.065145 0.978124 0.791890 H\n0.708110 0.934855 0.478124 H\n0.208110 0.565145 0.521876 H\n0.291890 0.434855 0.021876 H\n0.791890 0.065145 0.978124 H\n0.521876 0.291890 0.065145 H\n0.478124 0.791890 0.434855 H\n0.978124 0.708110 0.565145 H\n0.021876 0.208110 0.934855 H\n0.065145 0.521876 0.291890 H\n0.434855 0.478124 0.791890 H\n0.565145 0.978124 0.708110 H\n0.934855 0.021876 0.208110 H\n0.291890 0.065145 0.521876 H\n0.791890 0.434855 0.478124 H\n0.708110 0.565145 0.978124 H\n0.208110 0.934855 0.021876 H\n0.523894 0.704404 0.060545 H\n0.476106 0.204404 0.439455 H\n0.976106 0.295596 0.560545 H\n0.023894 0.795596 0.939455 H\n0.060545 0.523894 0.704404 H\n0.439455 0.476106 0.204404 H\n0.560545 0.976106 0.295596 H\n0.939455 0.023894 0.795596 H\n0.704404 0.060545 0.523894 H\n0.204404 0.439455 0.476106 H\n0.295596 0.560545 0.976106 H\n0.795596 0.939455 0.023894 H\n0.476106 0.295596 0.939455 H\n0.523894 0.795596 0.560545 H\n0.023894 0.704404 0.439455 H\n0.976106 0.204404 0.060545 H\n0.939455 0.476106 0.295596 H\n0.560545 0.523894 0.795596 H\n0.439455 0.023894 0.704404 H\n0.060545 0.976106 0.204404 H\n0.295596 0.939455 0.476106 H\n0.795596 0.560545 0.523894 H\n0.704404 0.439455 0.023894 H\n0.204404 0.060545 0.976106 H\n0.172099 0.827901 0.327901 S\n0.827901 0.327901 0.172099 S\n0.327901 0.172099 0.827901 S\n0.672099 0.672099 0.672099 S\n0.827901 0.172099 0.672099 S\n0.172099 0.672099 0.827901 S\n0.672099 0.827901 0.172099 S\n0.327901 0.327901 0.327901 S\n0.241600 0.758400 0.258400 O\n0.758400 0.258400 0.241600 O\n0.258400 0.241600 0.758400 O\n0.741600 0.741600 0.741600 O\n0.758400 0.241600 0.741600 O\n0.241600 0.741600 0.758400 O\n0.741600 0.758400 0.241600 O\n0.258400 0.258400 0.258400 O\n0.062932 0.779762 0.336761 O\n0.937068 0.279762 0.163239 O\n0.437068 0.220238 0.836761 O\n0.562932 0.720238 0.663239 O\n0.336761 0.062932 0.779762 O\n0.163239 0.937068 0.279762 O\n0.836761 0.437068 0.220238 O\n0.663239 0.562932 0.720238 O\n0.779762 0.336761 0.062932 O\n0.279762 0.163239 0.937068 O\n0.220238 0.836761 0.437068 O\n0.720238 0.663239 0.562932 O\n0.937068 0.220238 0.663239 O\n0.062932 0.720238 0.836761 O\n0.562932 0.779762 0.163239 O\n0.437068 0.279762 0.336761 O\n0.663239 0.937068 0.220238 O\n0.836761 0.062932 0.720238 O\n0.163239 0.562932 0.779762 O\n0.336761 0.437068 0.279762 O\n0.220238 0.663239 0.937068 O\n0.720238 0.836761 0.062932 O\n0.779762 0.163239 0.562932 O\n0.279762 0.336761 0.437068 O\n0.158768 0.552571 0.211463 O\n0.841232 0.052571 0.288537 O\n0.341232 0.447429 0.711463 O\n0.658768 0.947429 0.788537 O\n0.211463 0.158768 0.552571 O\n0.288537 0.841232 0.052571 O\n0.711463 0.341232 0.447429 O\n0.788537 0.658768 0.947429 O\n0.552571 0.211463 0.158768 O\n0.052571 0.288537 0.841232 O\n0.447429 0.711463 0.341232 O\n0.947429 0.788537 0.658768 O\n0.841232 0.447429 0.788537 O\n0.158768 0.947429 0.711463 O\n0.658768 0.552571 0.288537 O\n0.341232 0.052571 0.211463 O\n0.788537 0.841232 0.447429 O\n0.711463 0.158768 0.947429 O\n0.288537 0.658768 0.552571 O\n0.211463 0.341232 0.052571 O\n0.447429 0.788537 0.841232 O\n0.947429 0.711463 0.158768 O\n0.552571 0.288537 0.658768 O\n0.052571 0.211463 0.341232 O\n0.500485 0.661088 0.997690 O\n0.499515 0.161088 0.502310 O\n0.999515 0.338912 0.497690 O\n0.000485 0.838912 0.002310 O\n0.997690 0.500485 0.661088 O\n0.502310 0.499515 0.161088 O\n0.497690 0.999515 0.338912 O\n0.002310 0.000485 0.838912 O\n0.661088 0.997690 0.500485 O\n0.161088 0.502310 0.499515 O\n0.338912 0.497690 0.999515 O\n0.838912 0.002310 0.000485 O\n0.499515 0.338912 0.002310 O\n0.500485 0.838912 0.497690 O\n0.000485 0.661088 0.502310 O\n0.999515 0.161088 0.997690 O\n0.002310 0.499515 0.338912 O\n0.497690 0.500485 0.838912 O\n0.502310 0.000485 0.661088 O\n0.997690 0.999515 0.161088 O\n0.338912 0.002310 0.499515 O\n0.838912 0.497690 0.500485 O\n0.661088 0.502310 0.000485 O\n0.161088 0.997690 0.999515 O\n",
            "nsites": 192,
            "nelements": 5,
            "elements": [
                "Cs",
                "Mn",
                "H",
                "S",
                "O"
            ],
            "chemical_system": "Cs-H-Mn-O-S",
            "density": 2.0349102760234246,
            "density_atomic": 0.0986689162558325,
            "volume": 1945.9015796036022,
            "volume_molar": 6.1033818841037695,
            "formula_full": "Cs4 Mn4 H96 S8 O80",
            "formula_reduced": "CsMnH24(SO10)2",
            "formula_anonymous": "ABC2D20E24",
            "energy": -1073.80006423,
            "energy_per_atom": -5.592708667864584,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1012.16806423,
            "band_gap": 0.0156,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 15.9963402,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:14.550000Z",
            "spacegroup": 205
        },
        {
            "id": "mp-1211204",
            "created_at": "2022-09-04T14:41:49.981307Z",
            "structure_string": "Pr8 N48 O108\n1.0\n13.760160 -0.000000 0.000000\n0.000000 13.760160 0.000000\n-0.000000 0.000000 13.760160\nPr N O\n8 48 108\ndirect\n0.060815 0.060815 0.060815 Pr\n0.439185 0.939185 0.560815 Pr\n0.939185 0.560815 0.439185 Pr\n0.810815 0.310815 0.189185 Pr\n0.560815 0.439185 0.939185 Pr\n0.689185 0.689185 0.689185 Pr\n0.310815 0.189185 0.810815 Pr\n0.189185 0.810815 0.310815 Pr\n0.097674 0.422888 0.359638 N\n0.402326 0.577112 0.859638 N\n0.902326 0.922888 0.140362 N\n0.359638 0.097674 0.422888 N\n0.172888 0.347674 0.890362 N\n0.597674 0.077112 0.640362 N\n0.859638 0.402326 0.577112 N\n0.327112 0.652326 0.390362 N\n0.140362 0.902326 0.922888 N\n0.672888 0.152326 0.109638 N\n0.640362 0.597674 0.077112 N\n0.827112 0.847674 0.609638 N\n0.422888 0.359638 0.097674 N\n0.847674 0.609638 0.827112 N\n0.922888 0.140362 0.902326 N\n0.652326 0.390362 0.327112 N\n0.077112 0.640362 0.597674 N\n0.347674 0.890362 0.172888 N\n0.577112 0.859638 0.402326 N\n0.152326 0.109638 0.672888 N\n0.890362 0.172888 0.347674 N\n0.390362 0.327112 0.652326 N\n0.609638 0.827112 0.847674 N\n0.109638 0.672888 0.152326 N\n0.125000 0.198777 0.448777 N\n0.375000 0.801223 0.948777 N\n0.875000 0.698777 0.051223 N\n0.448777 0.125000 0.198777 N\n0.948777 0.375000 0.801223 N\n0.625000 0.301223 0.551223 N\n0.551223 0.625000 0.301223 N\n0.051223 0.875000 0.698777 N\n0.198777 0.448777 0.125000 N\n0.698777 0.051223 0.875000 N\n0.301223 0.551223 0.625000 N\n0.801223 0.948777 0.375000 N\n0.125000 0.021037 0.271037 N\n0.375000 0.978963 0.771037 N\n0.875000 0.521037 0.228963 N\n0.271037 0.125000 0.021037 N\n0.771037 0.375000 0.978963 N\n0.625000 0.478963 0.728963 N\n0.728963 0.625000 0.478963 N\n0.228963 0.875000 0.521037 N\n0.021037 0.271037 0.125000 N\n0.521037 0.228963 0.875000 N\n0.478963 0.728963 0.625000 N\n0.978963 0.771037 0.375000 N\n0.125000 0.953761 0.203761 O\n0.375000 0.046239 0.703761 O\n0.875000 0.453761 0.296239 O\n0.203761 0.125000 0.953761 O\n0.703761 0.375000 0.046239 O\n0.625000 0.546239 0.796239 O\n0.796239 0.625000 0.546239 O\n0.296239 0.875000 0.453761 O\n0.953761 0.203761 0.125000 O\n0.453761 0.296239 0.875000 O\n0.546239 0.796239 0.625000 O\n0.046239 0.703761 0.375000 O\n0.095974 0.103748 0.248093 O\n0.404026 0.896252 0.748093 O\n0.904026 0.603748 0.251907 O\n0.248093 0.095974 0.103748 O\n0.853748 0.345974 0.001907 O\n0.595974 0.396252 0.751907 O\n0.748093 0.404026 0.896252 O\n0.646252 0.654026 0.501907 O\n0.251907 0.904026 0.603748 O\n0.353748 0.154026 0.998093 O\n0.751907 0.595974 0.396252 O\n0.146252 0.845974 0.498093 O\n0.103748 0.248093 0.095974 O\n0.845974 0.498093 0.146252 O\n0.603748 0.251907 0.904026 O\n0.654026 0.501907 0.646252 O\n0.396252 0.751907 0.595974 O\n0.345974 0.001907 0.853748 O\n0.896252 0.748093 0.404026 O\n0.154026 0.998093 0.353748 O\n0.001907 0.853748 0.345974 O\n0.501907 0.646252 0.654026 O\n0.498093 0.146252 0.845974 O\n0.998093 0.353748 0.154026 O\n0.048865 0.399531 0.434324 O\n0.451135 0.600469 0.934324 O\n0.951135 0.899531 0.065676 O\n0.434324 0.048865 0.399531 O\n0.149531 0.298865 0.815676 O\n0.548865 0.100469 0.565676 O\n0.934324 0.451135 0.600469 O\n0.350469 0.701135 0.315676 O\n0.065676 0.951135 0.899531 O\n0.649531 0.201135 0.184324 O\n0.565676 0.548865 0.100469 O\n0.850469 0.798865 0.684324 O\n0.399531 0.434324 0.048865 O\n0.798865 0.684324 0.850469 O\n0.899531 0.065676 0.951135 O\n0.701135 0.315676 0.350469 O\n0.100469 0.565676 0.548865 O\n0.298865 0.815676 0.149531 O\n0.600469 0.934324 0.451135 O\n0.201135 0.184324 0.649531 O\n0.815676 0.149531 0.298865 O\n0.315676 0.350469 0.701135 O\n0.684324 0.850469 0.798865 O\n0.184324 0.649531 0.201135 O\n0.159685 0.367300 0.324647 O\n0.340315 0.632700 0.824647 O\n0.840315 0.867300 0.175353 O\n0.324647 0.159685 0.367300 O\n0.117300 0.409685 0.925353 O\n0.659685 0.132700 0.675353 O\n0.824647 0.340315 0.632700 O\n0.382700 0.590315 0.425353 O\n0.175353 0.840315 0.867300 O\n0.617300 0.090315 0.074647 O\n0.675353 0.659685 0.132700 O\n0.882700 0.909685 0.574647 O\n0.367300 0.324647 0.159685 O\n0.909685 0.574647 0.882700 O\n0.867300 0.175353 0.840315 O\n0.590315 0.425353 0.382700 O\n0.132700 0.675353 0.659685 O\n0.409685 0.925353 0.117300 O\n0.632700 0.824647 0.340315 O\n0.090315 0.074647 0.617300 O\n0.925353 0.117300 0.409685 O\n0.425353 0.382700 0.590315 O\n0.574647 0.882700 0.909685 O\n0.074647 0.617300 0.090315 O\n0.081111 0.505638 0.321608 O\n0.418889 0.494362 0.821608 O\n0.918889 0.005638 0.178392 O\n0.321608 0.081111 0.505638 O\n0.255638 0.331111 0.928392 O\n0.581111 0.994362 0.678392 O\n0.821608 0.418889 0.494362 O\n0.244362 0.668889 0.428392 O\n0.178392 0.918889 0.005638 O\n0.755638 0.168889 0.071608 O\n0.678392 0.581111 0.994362 O\n0.744362 0.831111 0.571608 O\n0.505638 0.321608 0.081111 O\n0.831111 0.571608 0.744362 O\n0.005638 0.178392 0.918889 O\n0.668889 0.428392 0.244362 O\n0.994362 0.678392 0.581111 O\n0.331111 0.928392 0.255638 O\n0.494362 0.821608 0.418889 O\n0.168889 0.071608 0.755638 O\n0.928392 0.255638 0.331111 O\n0.428392 0.244362 0.668889 O\n0.571608 0.744362 0.831111 O\n0.071608 0.755638 0.168889 O\n",
            "nsites": 164,
            "nelements": 3,
            "elements": [
                "Pr",
                "N",
                "O"
            ],
            "chemical_system": "N-O-Pr",
            "density": 2.24826699278645,
            "density_atomic": 0.06294676226778534,
            "volume": 2605.3762591047725,
            "volume_molar": 9.567038149445835,
            "formula_full": "Pr8 N48 O108",
            "formula_reduced": "Pr2(N4O9)3",
            "formula_anonymous": "A2B12C27",
            "energy": -1085.79161511,
            "energy_per_atom": -6.620680579939025,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1011.59561511,
            "band_gap": 0.0431999999999999,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 24.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:36.195000Z",
            "spacegroup": 213
        },
        {
            "id": "mp-1247684",
            "created_at": "2022-09-04T14:48:20.926464Z",
            "structure_string": "Ca32 Mn28 Cr4 O80\n1.0\n10.971480 -0.039200 -0.182301\n-0.049862 15.365215 0.016990\n-0.177816 0.017731 11.148563\nCa Mn Cr O\n32 28 4 80\ndirect\n0.000327 0.107180 0.513814 Ca\n0.999293 0.113042 0.009872 Ca\n0.007237 0.612391 0.507935 Ca\n0.003628 0.611312 0.009742 Ca\n0.543402 0.128876 0.481492 Ca\n0.546454 0.128062 0.984444 Ca\n0.542150 0.629014 0.480561 Ca\n0.542814 0.628878 0.980322 Ca\n0.517033 0.373710 0.992187 Ca\n0.515072 0.373011 0.489219 Ca\n0.519859 0.873794 0.986736 Ca\n0.519001 0.875603 0.487094 Ca\n0.960340 0.384950 0.006086 Ca\n0.959622 0.386353 0.508884 Ca\n0.958032 0.880931 0.008359 Ca\n0.959771 0.882191 0.503934 Ca\n0.232466 0.396302 0.270935 Ca\n0.234790 0.395605 0.767249 Ca\n0.233517 0.892579 0.270872 Ca\n0.234602 0.893728 0.771057 Ca\n0.749665 0.376794 0.254673 Ca\n0.751427 0.373893 0.756692 Ca\n0.753182 0.873654 0.256391 Ca\n0.752224 0.873686 0.755470 Ca\n0.225807 0.120261 0.245082 Ca\n0.222874 0.118235 0.740819 Ca\n0.226409 0.619713 0.245818 Ca\n0.226305 0.620334 0.748094 Ca\n0.780261 0.117454 0.254021 Ca\n0.780739 0.122128 0.753833 Ca\n0.781890 0.624788 0.252324 Ca\n0.782441 0.623691 0.754585 Ca\n0.995060 0.995231 0.758490 Mn\n0.993098 0.496726 0.257703 Mn\n0.994356 0.496737 0.755958 Mn\n0.502373 0.991195 0.234119 Mn\n0.504718 0.991151 0.735327 Mn\n0.504679 0.492218 0.236629 Mn\n0.504827 0.491343 0.735273 Mn\n0.243416 0.000921 0.518448 Mn\n0.244238 0.500115 0.021922 Mn\n0.246463 0.502505 0.521279 Mn\n0.745836 0.001890 0.998738 Mn\n0.745858 0.002359 0.499384 Mn\n0.743750 0.502360 0.998032 Mn\n0.743715 0.502930 0.498026 Mn\n0.270126 0.245082 0.455720 Mn\n0.274736 0.745043 0.960990 Mn\n0.275716 0.744309 0.460174 Mn\n0.757499 0.248267 0.004036 Mn\n0.756283 0.248876 0.503190 Mn\n0.756613 0.746709 0.001925 Mn\n0.756670 0.746798 0.502953 Mn\n0.995795 0.254137 0.763309 Mn\n0.996613 0.753121 0.262206 Mn\n0.996449 0.753379 0.761198 Mn\n0.512515 0.247092 0.249689 Mn\n0.504061 0.248091 0.754217 Mn\n0.510995 0.747065 0.247974 Mn\n0.510649 0.746979 0.747427 Mn\n0.996699 0.997833 0.255948 Cr\n0.239273 0.999186 0.021692 Cr\n0.269526 0.240882 0.952926 Cr\n0.992850 0.253038 0.270781 Cr\n0.591813 0.255748 0.093538 O\n0.572491 0.253891 0.596242 O\n0.586956 0.754880 0.090912 O\n0.585725 0.755874 0.591337 O\n0.397569 0.182685 0.349325 O\n0.391929 0.180530 0.861185 O\n0.399664 0.680666 0.348190 O\n0.400166 0.682943 0.848812 O\n0.925210 0.231821 0.412350 O\n0.908040 0.235790 0.919755 O\n0.906690 0.733130 0.419107 O\n0.908102 0.733082 0.919010 O\n0.160726 0.256258 0.293679 O\n0.171019 0.254301 0.809482 O\n0.164969 0.752447 0.309939 O\n0.164469 0.754172 0.809111 O\n0.663400 0.227098 0.353690 O\n0.657117 0.228000 0.854633 O\n0.659027 0.727564 0.354950 O\n0.659262 0.727450 0.853050 O\n0.868857 0.276171 0.153308 O\n0.860274 0.275009 0.648633 O\n0.855391 0.771723 0.150948 O\n0.856286 0.773060 0.650820 O\n0.346855 0.505419 0.168702 O\n0.347788 0.508434 0.669362 O\n0.345567 0.010403 0.167721 O\n0.347250 0.009725 0.664644 O\n0.847027 0.482034 0.140241 O\n0.846201 0.481171 0.640683 O\n0.849068 0.979844 0.144109 O\n0.854635 0.982244 0.648351 O\n0.150718 0.010679 0.367984 O\n0.150636 0.012598 0.866945 O\n0.154347 0.512947 0.374557 O\n0.155551 0.509024 0.873416 O\n0.627346 0.024010 0.345587 O\n0.631470 0.024295 0.850163 O\n0.632147 0.526435 0.346063 O\n0.631216 0.525279 0.845197 O\n0.885929 0.015637 0.395339 O\n0.887011 0.016687 0.895337 O\n0.885362 0.519597 0.394891 O\n0.887061 0.516790 0.893199 O\n0.097409 0.471472 0.124552 O\n0.098608 0.473073 0.623815 O\n0.101540 0.970566 0.114882 O\n0.097662 0.973292 0.623327 O\n0.590456 0.495886 0.085840 O\n0.589547 0.495228 0.585000 O\n0.592994 0.995647 0.086452 O\n0.595403 0.995633 0.588161 O\n0.993041 0.377688 0.306929 O\n0.997229 0.375449 0.799683 O\n0.996766 0.874124 0.298640 O\n0.994608 0.875872 0.801575 O\n0.479694 0.373388 0.283217 O\n0.469386 0.375096 0.789488 O\n0.474559 0.872874 0.282129 O\n0.474967 0.871845 0.780391 O\n-0.000021 0.127917 0.219477 O\n0.000219 0.128544 0.723429 O\n0.000775 0.627180 0.219976 O\n0.001295 0.627776 0.719673 O\n0.219638 0.138366 0.036086 O\n0.216840 0.133410 0.534838 O\n0.223689 0.631917 0.038534 O\n0.224476 0.633234 0.541555 O\n0.755049 0.125910 0.041501 O\n0.754452 0.125747 0.541668 O\n0.750462 0.624424 0.040489 O\n0.748816 0.625058 0.543862 O\n0.296862 0.376585 0.487141 O\n0.292876 0.363564 0.994368 O\n0.298863 0.878569 0.485016 O\n0.300910 0.878746 0.985300 O\n0.740096 0.377558 0.463831 O\n0.740422 0.376534 0.966084 O\n0.742533 0.874462 0.466529 O\n0.742409 0.873578 0.965263 O\n",
            "nsites": 144,
            "nelements": 4,
            "elements": [
                "Ca",
                "Mn",
                "Cr",
                "O"
            ],
            "chemical_system": "Ca-Cr-Mn-O",
            "density": 3.8079673493078463,
            "density_atomic": 0.07664089888524399,
            "volume": 1878.8923681024958,
            "volume_molar": 7.857607162224282,
            "formula_full": "Ca32 Mn28 Cr4 O80",
            "formula_reduced": "Ca8Mn7CrO20",
            "formula_anonymous": "AB7C8D20",
            "energy": -1121.01979586,
            "energy_per_atom": -7.784859693472222,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1011.35979586,
            "band_gap": 0.2505999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 123.9999796,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:26.488000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-734336",
            "created_at": "2022-09-04T14:41:10.330474Z",
            "structure_string": "Pr8 N48 O108\n1.0\n13.955566 0.000000 0.000000\n0.000000 13.955566 0.000000\n0.000000 0.000000 13.955566\nPr N O\n8 48 108\ndirect\n0.561322 0.061322 0.438678 Pr\n0.438678 0.561322 0.061322 Pr\n0.061322 0.438678 0.561322 Pr\n0.938678 0.938678 0.938678 Pr\n0.188678 0.688678 0.811322 Pr\n0.688678 0.811322 0.188678 Pr\n0.811322 0.188678 0.688678 Pr\n0.311322 0.311322 0.311322 Pr\n0.699278 0.449278 0.375000 N\n0.300722 0.949278 0.125000 N\n0.949278 0.125000 0.300722 N\n0.050722 0.625000 0.199278 N\n0.625000 0.199278 0.050722 N\n0.375000 0.699278 0.449278 N\n0.199278 0.050722 0.625000 N\n0.800722 0.550722 0.875000 N\n0.449278 0.375000 0.699278 N\n0.550722 0.875000 0.800722 N\n0.125000 0.300722 0.949278 N\n0.875000 0.800722 0.550722 N\n0.518694 0.268694 0.375000 N\n0.481306 0.768694 0.125000 N\n0.768694 0.125000 0.481306 N\n0.231306 0.625000 0.018694 N\n0.625000 0.018694 0.231306 N\n0.375000 0.518694 0.268694 N\n0.018694 0.231306 0.625000 N\n0.981306 0.731306 0.875000 N\n0.268694 0.375000 0.518694 N\n0.731306 0.875000 0.981306 N\n0.125000 0.481306 0.768694 N\n0.875000 0.981306 0.731306 N\n0.359998 0.404375 0.924953 N\n0.640002 0.904375 0.575047 N\n0.904375 0.575047 0.640002 N\n0.095625 0.075047 0.859998 N\n0.075047 0.859998 0.095625 N\n0.924953 0.359998 0.404375 N\n0.859998 0.095625 0.075047 N\n0.140002 0.595625 0.424953 N\n0.404375 0.924953 0.359998 N\n0.595625 0.424953 0.140002 N\n0.575047 0.640002 0.904375 N\n0.424953 0.140002 0.595625 N\n0.845625 0.890002 0.325047 N\n0.345625 0.609998 0.674953 N\n0.154375 0.390002 0.174953 N\n0.654375 0.109998 0.825047 N\n0.609998 0.674953 0.345625 N\n0.390002 0.174953 0.154375 N\n0.890002 0.325047 0.845625 N\n0.109998 0.825047 0.654375 N\n0.674953 0.345625 0.609998 N\n0.174953 0.154375 0.390002 N\n0.325047 0.845625 0.890002 N\n0.825047 0.654375 0.109998 N\n0.452522 0.202522 0.375000 O\n0.547478 0.702522 0.125000 O\n0.702522 0.125000 0.547478 O\n0.297478 0.625000 0.952522 O\n0.625000 0.952522 0.297478 O\n0.375000 0.452522 0.202522 O\n0.952522 0.297478 0.625000 O\n0.047478 0.797478 0.875000 O\n0.202522 0.375000 0.452522 O\n0.797478 0.875000 0.047478 O\n0.125000 0.547478 0.702522 O\n0.875000 0.047478 0.797478 O\n0.653196 0.995925 0.149527 O\n0.346804 0.495925 0.350473 O\n0.495925 0.350473 0.346804 O\n0.504075 0.850473 0.153196 O\n0.850473 0.153196 0.504075 O\n0.149527 0.653196 0.995925 O\n0.153196 0.504075 0.850473 O\n0.846804 0.004075 0.649527 O\n0.995925 0.149527 0.653196 O\n0.004075 0.649527 0.846804 O\n0.350473 0.346804 0.495925 O\n0.649527 0.846804 0.004075 O\n0.254075 0.596804 0.100473 O\n0.754075 0.903196 0.899527 O\n0.745925 0.096804 0.399527 O\n0.245925 0.403196 0.600473 O\n0.903196 0.899527 0.754075 O\n0.096804 0.399527 0.745925 O\n0.596804 0.100473 0.254075 O\n0.403196 0.600473 0.245925 O\n0.899527 0.754075 0.903196 O\n0.399527 0.745925 0.096804 O\n0.100473 0.254075 0.596804 O\n0.600473 0.245925 0.403196 O\n0.683883 0.652147 0.297314 O\n0.316117 0.152147 0.202686 O\n0.152147 0.202686 0.316117 O\n0.847853 0.702686 0.183883 O\n0.702686 0.183883 0.847853 O\n0.297314 0.683883 0.652147 O\n0.183883 0.847853 0.702686 O\n0.816117 0.347853 0.797314 O\n0.652147 0.297314 0.683883 O\n0.347853 0.797314 0.816117 O\n0.202686 0.316117 0.152147 O\n0.797314 0.816117 0.347853 O\n0.597853 0.566117 0.952686 O\n0.097853 0.933883 0.047314 O\n0.402147 0.066117 0.547314 O\n0.902147 0.433883 0.452686 O\n0.933883 0.047314 0.097853 O\n0.066117 0.547314 0.402147 O\n0.566117 0.952686 0.597853 O\n0.433883 0.452686 0.902147 O\n0.047314 0.097853 0.933883 O\n0.547314 0.402147 0.066117 O\n0.952686 0.597853 0.566117 O\n0.452686 0.902147 0.433883 O\n0.573362 0.757009 0.328077 O\n0.426638 0.257009 0.171923 O\n0.257009 0.171923 0.426638 O\n0.742991 0.671923 0.073362 O\n0.671923 0.073362 0.742991 O\n0.328077 0.573362 0.757009 O\n0.073362 0.742991 0.671923 O\n0.926638 0.242991 0.828077 O\n0.757009 0.328077 0.573362 O\n0.242991 0.828077 0.926638 O\n0.171923 0.426638 0.257009 O\n0.828077 0.926638 0.242991 O\n0.492991 0.676638 0.921923 O\n0.992991 0.823362 0.078077 O\n0.507009 0.176638 0.578077 O\n0.007009 0.323362 0.421923 O\n0.823362 0.078077 0.992991 O\n0.176638 0.578077 0.507009 O\n0.676638 0.921923 0.492991 O\n0.323362 0.421923 0.007009 O\n0.078077 0.992991 0.823362 O\n0.578077 0.507009 0.176638 O\n0.921923 0.492991 0.676638 O\n0.421923 0.007009 0.323362 O\n0.575451 0.621037 0.406515 O\n0.424549 0.121037 0.093485 O\n0.121037 0.093485 0.424549 O\n0.878963 0.593485 0.075451 O\n0.593485 0.075451 0.878963 O\n0.406515 0.575451 0.621037 O\n0.075451 0.878963 0.593485 O\n0.924549 0.378963 0.906515 O\n0.621037 0.406515 0.575451 O\n0.378963 0.906515 0.924549 O\n0.093485 0.424549 0.121037 O\n0.906515 0.924549 0.378963 O\n0.628963 0.674549 0.843485 O\n0.128963 0.825451 0.156515 O\n0.371037 0.174549 0.656515 O\n0.871037 0.325451 0.343485 O\n0.825451 0.156515 0.128963 O\n0.174549 0.656515 0.371037 O\n0.674549 0.843485 0.628963 O\n0.325451 0.343485 0.871037 O\n0.156515 0.128963 0.825451 O\n0.656515 0.371037 0.174549 O\n0.843485 0.628963 0.674549 O\n0.343485 0.871037 0.325451 O\n",
            "nsites": 164,
            "nelements": 3,
            "elements": [
                "Pr",
                "N",
                "O"
            ],
            "chemical_system": "N-O-Pr",
            "density": 2.1551423988602685,
            "density_atomic": 0.06033946887515749,
            "volume": 2717.955644245335,
            "volume_molar": 9.98043382261091,
            "formula_full": "Pr8 N48 O108",
            "formula_reduced": "Pr2(N4O9)3",
            "formula_anonymous": "A2B12C27",
            "energy": -1085.16704549,
            "energy_per_atom": -6.616872228597561,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1010.97104549,
            "band_gap": 0.0,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 38.5952915,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:17.782000Z",
            "spacegroup": 212
        },
        {
            "id": "mp-707854",
            "created_at": "2022-09-04T14:41:28.587254Z",
            "structure_string": "Cs4 H96 Ru4 S8 O80\n1.0\n12.474673 0.000000 0.000000\n0.000000 12.474673 0.000000\n0.000000 0.000000 12.474673\nCs H Ru S O\n4 96 4 8 80\ndirect\n0.000000 0.000000 0.500000 Cs\n0.000000 0.500000 0.000000 Cs\n0.500000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Cs\n0.219195 0.508388 0.229459 H\n0.780805 0.008388 0.270541 H\n0.280805 0.491612 0.729459 H\n0.719195 0.991612 0.770541 H\n0.229459 0.219195 0.508388 H\n0.270541 0.780805 0.008388 H\n0.729459 0.280805 0.491612 H\n0.770541 0.719195 0.991612 H\n0.508388 0.229459 0.219195 H\n0.008388 0.270541 0.780805 H\n0.491612 0.729459 0.280805 H\n0.991612 0.770541 0.719195 H\n0.780805 0.491612 0.770541 H\n0.219195 0.991612 0.729459 H\n0.719195 0.508388 0.270541 H\n0.280805 0.008388 0.229459 H\n0.770541 0.780805 0.491612 H\n0.729459 0.219195 0.991612 H\n0.270541 0.719195 0.508388 H\n0.229459 0.280805 0.008388 H\n0.491612 0.770541 0.780805 H\n0.991612 0.729459 0.219195 H\n0.508388 0.270541 0.719195 H\n0.008388 0.229459 0.280805 H\n0.181792 0.627585 0.220555 H\n0.818208 0.127585 0.279445 H\n0.318208 0.372415 0.720555 H\n0.681792 0.872415 0.779445 H\n0.220555 0.181792 0.627585 H\n0.279445 0.818208 0.127585 H\n0.720555 0.318208 0.372415 H\n0.779445 0.681792 0.872415 H\n0.627585 0.220555 0.181792 H\n0.127585 0.279445 0.818208 H\n0.372415 0.720555 0.318208 H\n0.872415 0.779445 0.681792 H\n0.818208 0.372415 0.779445 H\n0.181792 0.872415 0.720555 H\n0.681792 0.627585 0.279445 H\n0.318208 0.127585 0.220555 H\n0.779445 0.818208 0.372415 H\n0.720555 0.181792 0.872415 H\n0.279445 0.681792 0.627585 H\n0.220555 0.318208 0.127585 H\n0.372415 0.779445 0.818208 H\n0.872415 0.720555 0.181792 H\n0.627585 0.279445 0.681792 H\n0.127585 0.220555 0.318208 H\n0.476505 0.710006 0.937304 H\n0.523495 0.210006 0.562696 H\n0.023495 0.289994 0.437304 H\n0.976505 0.789994 0.062696 H\n0.937304 0.476505 0.710006 H\n0.562696 0.523495 0.210006 H\n0.437304 0.023495 0.289994 H\n0.062696 0.976505 0.789994 H\n0.710006 0.937304 0.476505 H\n0.210006 0.562696 0.523495 H\n0.289994 0.437304 0.023495 H\n0.789994 0.062696 0.976505 H\n0.523495 0.289994 0.062696 H\n0.476505 0.789994 0.437304 H\n0.976505 0.710006 0.562696 H\n0.023495 0.210006 0.937304 H\n0.062696 0.523495 0.289994 H\n0.437304 0.476505 0.789994 H\n0.562696 0.976505 0.710006 H\n0.937304 0.023495 0.210006 H\n0.289994 0.062696 0.523495 H\n0.789994 0.437304 0.476505 H\n0.710006 0.562696 0.976505 H\n0.210006 0.937304 0.023495 H\n0.527751 0.705865 0.062805 H\n0.472249 0.205865 0.437195 H\n0.972249 0.294135 0.562805 H\n0.027751 0.794135 0.937195 H\n0.062805 0.527751 0.705865 H\n0.437195 0.472249 0.205865 H\n0.562805 0.972249 0.294135 H\n0.937195 0.027751 0.794135 H\n0.705865 0.062805 0.527751 H\n0.205865 0.437195 0.472249 H\n0.294135 0.562805 0.972249 H\n0.794135 0.937195 0.027751 H\n0.472249 0.294135 0.937195 H\n0.527751 0.794135 0.562805 H\n0.027751 0.705865 0.437195 H\n0.972249 0.205865 0.062805 H\n0.937195 0.472249 0.294135 H\n0.562805 0.527751 0.794135 H\n0.437195 0.027751 0.705865 H\n0.062805 0.972249 0.205865 H\n0.294135 0.937195 0.472249 H\n0.794135 0.562805 0.527751 H\n0.705865 0.437195 0.027751 H\n0.205865 0.062805 0.972249 H\n0.500000 0.500000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.173794 0.826206 0.326206 S\n0.826206 0.326206 0.173794 S\n0.326206 0.173794 0.826206 S\n0.673794 0.673794 0.673794 S\n0.826206 0.173794 0.673794 S\n0.173794 0.673794 0.826206 S\n0.673794 0.826206 0.173794 S\n0.326206 0.326206 0.326206 S\n0.243353 0.756647 0.256647 O\n0.756647 0.256647 0.243353 O\n0.256647 0.243353 0.756647 O\n0.743353 0.743353 0.743353 O\n0.756647 0.243353 0.743353 O\n0.243353 0.743353 0.756647 O\n0.743353 0.756647 0.243353 O\n0.256647 0.256647 0.256647 O\n0.064111 0.778875 0.333801 O\n0.935889 0.278875 0.166199 O\n0.435889 0.221125 0.833801 O\n0.564111 0.721125 0.666199 O\n0.333801 0.064111 0.778875 O\n0.166199 0.935889 0.278875 O\n0.833801 0.435889 0.221125 O\n0.666199 0.564111 0.721125 O\n0.778875 0.333801 0.064111 O\n0.278875 0.166199 0.935889 O\n0.221125 0.833801 0.435889 O\n0.721125 0.666199 0.564111 O\n0.935889 0.221125 0.666199 O\n0.064111 0.721125 0.833801 O\n0.564111 0.778875 0.166199 O\n0.435889 0.278875 0.333801 O\n0.666199 0.935889 0.221125 O\n0.833801 0.064111 0.721125 O\n0.166199 0.564111 0.778875 O\n0.333801 0.435889 0.278875 O\n0.221125 0.666199 0.935889 O\n0.721125 0.833801 0.064111 O\n0.778875 0.166199 0.564111 O\n0.278875 0.333801 0.435889 O\n0.156598 0.553268 0.209277 O\n0.843402 0.053268 0.290723 O\n0.343402 0.446732 0.709277 O\n0.656598 0.946732 0.790723 O\n0.209277 0.156598 0.553268 O\n0.290723 0.843402 0.053268 O\n0.709277 0.343402 0.446732 O\n0.790723 0.656598 0.946732 O\n0.553268 0.209277 0.156598 O\n0.053268 0.290723 0.843402 O\n0.446732 0.709277 0.343402 O\n0.946732 0.790723 0.656598 O\n0.843402 0.446732 0.790723 O\n0.156598 0.946732 0.709277 O\n0.656598 0.553268 0.290723 O\n0.343402 0.053268 0.209277 O\n0.790723 0.843402 0.446732 O\n0.709277 0.156598 0.946732 O\n0.290723 0.656598 0.553268 O\n0.209277 0.343402 0.053268 O\n0.446732 0.790723 0.843402 O\n0.946732 0.709277 0.156598 O\n0.553268 0.290723 0.656598 O\n0.053268 0.209277 0.343402 O\n0.502127 0.663594 0.999587 O\n0.497873 0.163594 0.500413 O\n0.997873 0.336406 0.499587 O\n0.002127 0.836406 0.000413 O\n0.999587 0.502127 0.663594 O\n0.500413 0.497873 0.163594 O\n0.499587 0.997873 0.336406 O\n0.000413 0.002127 0.836406 O\n0.663594 0.999587 0.502127 O\n0.163594 0.500413 0.497873 O\n0.336406 0.499587 0.997873 O\n0.836406 0.000413 0.002127 O\n0.497873 0.336406 0.000413 O\n0.502127 0.836406 0.499587 O\n0.002127 0.663594 0.500413 O\n0.997873 0.163594 0.999587 O\n0.000413 0.497873 0.336406 O\n0.499587 0.502127 0.836406 O\n0.500413 0.002127 0.663594 O\n0.999587 0.997873 0.163594 O\n0.336406 0.000413 0.497873 O\n0.836406 0.499587 0.502127 O\n0.663594 0.500413 0.002127 O\n0.163594 0.999587 0.997873 O\n",
            "nsites": 192,
            "nelements": 5,
            "elements": [
                "Cs",
                "H",
                "Ru",
                "S",
                "O"
            ],
            "chemical_system": "Cs-H-O-Ru-S",
            "density": 2.197600218187411,
            "density_atomic": 0.09890396851863925,
            "volume": 1941.2770071386574,
            "volume_molar": 6.088876766219021,
            "formula_full": "Cs4 H96 Ru4 S8 O80",
            "formula_reduced": "CsH24Ru(SO10)2",
            "formula_anonymous": "ABC2D20E24",
            "energy": -1065.80343953,
            "energy_per_atom": -5.5510595808854175,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1010.84343953,
            "band_gap": 0.4185999999999999,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 4.007013,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:23.477000Z",
            "spacegroup": 205
        }
    ]
}