GET /third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=160
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=161",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=159",
    "results": [
        {
            "id": "mp-1244964",
            "created_at": "2022-09-04T14:47:11.557466Z",
            "structure_string": "C100\n1.0\n10.247851 -0.106168 0.008782\n-0.098855 10.894242 0.432224\n0.005544 0.456147 10.113102\nC\n100\ndirect\n0.880695 0.106943 0.226036 C\n0.721724 0.054992 0.910856 C\n0.869163 0.799839 0.010259 C\n0.923783 0.822262 0.127703 C\n0.336074 0.462276 0.463976 C\n0.902164 0.754814 0.616648 C\n0.737138 0.593871 0.646607 C\n0.873592 0.229270 0.792189 C\n0.452845 0.656236 0.768730 C\n0.911276 0.187923 0.666603 C\n0.264354 0.672831 0.911207 C\n0.111939 0.043947 0.976100 C\n0.372378 0.617000 0.259909 C\n0.345084 0.062971 0.269590 C\n0.809643 0.386208 0.561082 C\n0.581770 0.302167 0.239567 C\n0.257463 0.707812 0.046086 C\n0.409680 0.161492 0.187029 C\n0.230522 0.265357 0.410041 C\n0.039619 0.614130 0.382656 C\n0.925236 0.540734 0.354304 C\n0.302224 0.458753 0.830694 C\n0.870857 0.806702 0.494554 C\n0.679664 0.176342 0.916817 C\n0.581615 0.830157 0.247395 C\n0.292382 0.344199 0.505486 C\n0.667353 0.541004 0.075615 C\n0.266453 0.085062 0.730494 C\n0.861342 0.559323 0.232894 C\n0.786922 0.823267 0.907333 C\n0.383792 0.388135 0.746425 C\n0.224577 0.375605 0.044677 C\n0.119894 0.075228 0.766123 C\n0.232937 0.316741 0.279815 C\n0.358579 0.579383 0.878955 C\n0.373172 0.931949 0.288001 C\n0.452073 0.833570 0.286389 C\n0.485050 0.788904 0.792241 C\n0.070200 0.998062 0.103214 C\n0.768470 0.550597 0.150358 C\n0.086292 0.110444 0.530250 C\n0.252460 0.903428 0.363015 C\n0.826409 0.160710 0.331506 C\n0.744763 0.946424 0.899828 C\n0.583228 0.444154 0.883481 C\n0.627041 0.384477 0.337543 C\n0.656345 0.553543 0.561290 C\n0.663734 0.381320 0.777254 C\n0.797014 0.695636 0.705314 C\n0.367668 0.554357 0.547463 C\n0.698818 0.825661 0.225098 C\n0.349508 0.631879 0.124227 C\n0.323719 0.309704 0.645789 C\n0.810114 0.234355 0.432398 C\n0.029419 0.114361 0.647812 C\n0.660918 0.233415 0.153191 C\n0.145485 0.843150 0.904713 C\n0.074666 0.203964 0.155919 C\n0.378074 0.720131 0.354141 C\n0.446296 0.285819 0.224712 C\n0.869207 0.828825 0.371132 C\n0.335899 0.434050 0.094836 C\n0.543770 0.482754 0.368179 C\n0.596341 0.190462 0.034735 C\n0.135543 0.732745 0.707000 C\n0.238095 0.774936 0.384202 C\n0.859068 0.445727 0.433984 C\n0.121021 0.965493 0.872883 C\n0.175668 0.133869 0.435796 C\n0.727247 0.453465 0.651782 C\n0.162689 0.294958 0.158016 C\n0.075555 0.146216 0.887551 C\n0.752521 0.362148 0.399873 C\n0.032055 0.743678 0.646850 C\n0.453509 0.656416 0.480825 C\n0.587779 0.717918 0.808673 C\n0.162385 0.804064 0.044781 C\n0.566739 0.573373 0.455534 C\n0.009093 0.097428 0.167728 C\n0.767722 0.172325 0.205056 C\n0.355027 0.390155 0.237560 C\n0.065673 0.867900 0.124073 C\n0.413859 0.537742 0.025255 C\n0.416844 0.634335 0.629075 C\n0.835864 0.827057 0.241093 C\n0.482017 0.137327 0.078845 C\n0.565944 0.510061 0.000272 C\n0.400755 0.489265 0.324373 C\n0.846617 0.250860 0.561103 C\n0.425423 0.899897 0.767804 C\n0.191543 0.747674 0.828117 C\n0.217682 0.386903 0.907298 C\n0.967971 0.218076 0.889761 C\n0.310590 0.194658 0.690989 C\n0.735681 0.265537 0.827147 C\n0.350633 0.984966 0.744159 C\n0.129330 0.690814 0.391654 C\n0.731603 0.737308 0.810476 C\n0.514185 0.388961 0.789998 C\n0.236303 0.042703 0.358403 C\n",
            "nsites": 100,
            "nelements": 1,
            "elements": [
                "C"
            ],
            "chemical_system": "C",
            "density": 1.7697928374749723,
            "density_atomic": 0.08873705601669549,
            "volume": 1126.924922787448,
            "volume_molar": 6.786500510978143,
            "formula_full": "C100",
            "formula_reduced": "C",
            "formula_anonymous": "A",
            "energy": -829.4068817900002,
            "energy_per_atom": -8.294068817900001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -829.4068817900002,
            "band_gap": 0.0724,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.0008597,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:59.504000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-13726",
            "created_at": "2022-09-04T14:41:51.321332Z",
            "structure_string": "Na12 Sr4 La4 Zn4 Si24 O68\n1.0\n5.272399 0.000000 0.000000\n0.000000 14.609381 0.000000\n0.000000 0.000000 19.985166\nNa Sr La Zn Si O\n12 4 4 4 24 68\ndirect\n0.004879 0.923726 0.671036 Na\n0.004879 0.076274 0.828964 Na\n0.995121 0.423726 0.828964 Na\n0.995121 0.576274 0.671036 Na\n0.995121 0.076274 0.328964 Na\n0.995121 0.923726 0.171036 Na\n0.004879 0.576274 0.171036 Na\n0.004879 0.423726 0.328964 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.000000 0.250000 0.977253 Sr\n0.000000 0.750000 0.522747 Sr\n0.000000 0.750000 0.022747 Sr\n0.000000 0.250000 0.477253 Sr\n0.000000 0.250000 0.680779 La\n0.000000 0.750000 0.819221 La\n0.000000 0.750000 0.319221 La\n0.000000 0.250000 0.180779 La\n0.500000 0.250000 0.830413 Zn\n0.500000 0.750000 0.669587 Zn\n0.500000 0.750000 0.169587 Zn\n0.500000 0.250000 0.330413 Zn\n0.549345 0.889054 0.418514 Si\n0.549345 0.110946 0.081486 Si\n0.450655 0.389054 0.081486 Si\n0.450655 0.610946 0.418514 Si\n0.450655 0.110946 0.581486 Si\n0.450655 0.889054 0.918514 Si\n0.549345 0.610946 0.918514 Si\n0.549345 0.389054 0.581486 Si\n0.535473 0.897220 0.773925 Si\n0.535473 0.102780 0.726075 Si\n0.464527 0.397220 0.726075 Si\n0.464527 0.602780 0.773925 Si\n0.464527 0.102780 0.226075 Si\n0.464527 0.897220 0.273925 Si\n0.535473 0.602780 0.273925 Si\n0.535473 0.397220 0.226075 Si\n0.465700 0.901223 0.564685 Si\n0.465700 0.098777 0.935315 Si\n0.534300 0.401223 0.935315 Si\n0.534300 0.598777 0.564685 Si\n0.534300 0.098777 0.435315 Si\n0.534300 0.901223 0.064685 Si\n0.465700 0.598777 0.064685 Si\n0.465700 0.401223 0.435315 Si\n0.223770 0.815979 0.917395 O\n0.223770 0.184021 0.582605 O\n0.776230 0.315979 0.582605 O\n0.776230 0.684021 0.917395 O\n0.776230 0.184021 0.082605 O\n0.776230 0.815979 0.417395 O\n0.223770 0.684021 0.417395 O\n0.223770 0.315979 0.082605 O\n0.234499 0.882940 0.771350 O\n0.234499 0.117060 0.728650 O\n0.765501 0.382940 0.728650 O\n0.765501 0.617060 0.771350 O\n0.765501 0.117060 0.228650 O\n0.765501 0.882940 0.271350 O\n0.234499 0.617060 0.271350 O\n0.234499 0.382940 0.228650 O\n0.644644 0.881544 0.852846 O\n0.644644 0.118456 0.647154 O\n0.355356 0.381544 0.647154 O\n0.355356 0.618456 0.852846 O\n0.355356 0.118456 0.147154 O\n0.355356 0.881544 0.352846 O\n0.644644 0.618456 0.352846 O\n0.644644 0.381544 0.147154 O\n0.710375 0.823613 0.732718 O\n0.710375 0.176387 0.767282 O\n0.289625 0.323613 0.767282 O\n0.289625 0.676387 0.732718 O\n0.639254 0.118620 0.514653 O\n0.289625 0.176387 0.267282 O\n0.710375 0.676387 0.232718 O\n0.710375 0.323613 0.267282 O\n0.634525 0.000000 0.750000 O\n0.365475 0.500000 0.750000 O\n0.365475 0.000000 0.250000 O\n0.634525 0.500000 0.250000 O\n0.768431 0.897876 0.567793 O\n0.768431 0.102124 0.932207 O\n0.231569 0.397876 0.932207 O\n0.231569 0.602124 0.567793 O\n0.231569 0.102124 0.432207 O\n0.231569 0.897876 0.067793 O\n0.768431 0.602124 0.067793 O\n0.768431 0.397876 0.432207 O\n0.360746 0.881380 0.485347 O\n0.360746 0.118620 0.014653 O\n0.639254 0.381380 0.014653 O\n0.639254 0.618620 0.485347 O\n0.338118 0.504247 0.417990 O\n0.338118 0.495753 0.082010 O\n0.661882 0.004247 0.082010 O\n0.661882 0.995753 0.417990 O\n0.661882 0.495753 0.582010 O\n0.661882 0.504247 0.917990 O\n0.338118 0.995753 0.917990 O\n0.338118 0.004247 0.582010 O\n0.302497 0.329028 0.390771 O\n0.302497 0.670972 0.109229 O\n0.697503 0.829028 0.109229 O\n0.697503 0.170972 0.390771 O\n0.697503 0.670972 0.609229 O\n0.697503 0.329028 0.890771 O\n0.302497 0.170972 0.890771 O\n0.302497 0.829028 0.609229 O\n0.360746 0.381380 0.514653 O\n0.360746 0.618620 0.985347 O\n0.639254 0.881380 0.985347 O\n0.289625 0.823613 0.232718 O\n",
            "nsites": 116,
            "nelements": 6,
            "elements": [
                "Na",
                "Sr",
                "La",
                "Zn",
                "Si",
                "O"
            ],
            "chemical_system": "La-Na-O-Si-Sr-Zn",
            "density": 3.457913676807991,
            "density_atomic": 0.0753546652772297,
            "volume": 1539.3871046103936,
            "volume_molar": 7.991729162148824,
            "formula_full": "Na12 Sr4 La4 Zn4 Si24 O68",
            "formula_reduced": "Na3SrLaZnSi6O17",
            "formula_anonymous": "ABCD3E6F17",
            "energy": -875.94114247,
            "energy_per_atom": -7.551216745431035,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -829.22514247,
            "band_gap": 4.516100000000001,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0314933,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:37.456000Z",
            "spacegroup": 54
        },
        {
            "id": "mp-1199657",
            "created_at": "2022-09-04T14:44:41.766750Z",
            "structure_string": "Ta12 H80 C16 Br32 N4 O16\n1.0\n0.000000 -12.821100 0.000000\n-12.539828 -6.410550 0.000000\n-0.896465 -6.410550 -15.004760\nTa H C Br N O\n12 80 16 32 4 16\ndirect\n0.114180 0.230376 0.613955 Ta\n0.958511 0.269624 0.886045 Ta\n0.885820 0.769624 0.386045 Ta\n0.041489 0.730376 0.113955 Ta\n0.971740 0.134589 0.767332 Ta\n0.873661 0.365411 0.732668 Ta\n0.028260 0.865411 0.232668 Ta\n0.126339 0.634589 0.267332 Ta\n0.198801 0.134528 0.766864 Ta\n0.100194 0.365472 0.733136 Ta\n0.801199 0.865472 0.233136 Ta\n0.899806 0.634528 0.266864 Ta\n0.269747 0.225103 0.425581 H\n0.920431 0.274897 0.074419 H\n0.730253 0.774897 0.574419 H\n0.079569 0.725103 0.925581 H\n0.165086 0.190217 0.427526 H\n0.782829 0.309783 0.072474 H\n0.834914 0.809783 0.572474 H\n0.217171 0.690217 0.927526 H\n0.815051 0.022711 0.784151 H\n0.621913 0.477289 0.715849 H\n0.184949 0.977289 0.215849 H\n0.378087 0.522711 0.284151 H\n0.940307 0.928285 0.794315 H\n0.662906 0.571715 0.705685 H\n0.059693 0.071715 0.205685 H\n0.337094 0.428285 0.294315 H\n0.423841 0.934839 0.756888 H\n0.115568 0.565161 0.743112 H\n0.576159 0.065161 0.243112 H\n0.884432 0.434839 0.256888 H\n0.450100 0.021837 0.782198 H\n0.254135 0.478163 0.717802 H\n0.549900 0.978163 0.217802 H\n0.745865 0.521837 0.282198 H\n0.378354 0.587087 0.830568 H\n0.796009 0.912913 0.669432 H\n0.621646 0.412913 0.169432 H\n0.203991 0.087087 0.330568 H\n0.393541 0.693446 0.814536 H\n0.901523 0.806554 0.685464 H\n0.606459 0.306554 0.185464 H\n0.098477 0.193446 0.314536 H\n0.619725 0.681938 0.869804 H\n0.171466 0.818062 0.630196 H\n0.380275 0.318062 0.130196 H\n0.828534 0.181938 0.369804 H\n0.683966 0.779183 0.842026 H\n0.305176 0.720817 0.657974 H\n0.316034 0.220817 0.157974 H\n0.694824 0.279183 0.342026 H\n0.761364 0.649750 0.889611 H\n0.300725 0.850250 0.610389 H\n0.238636 0.350250 0.110389 H\n0.699275 0.149750 0.389611 H\n0.659745 0.878158 0.946968 H\n0.484872 0.621842 0.553032 H\n0.340255 0.121842 0.053032 H\n0.515128 0.378158 0.446968 H\n0.600589 0.845539 0.064956 H\n0.511084 0.654461 0.435044 H\n0.399411 0.154461 0.935044 H\n0.488916 0.345539 0.564956 H\n0.751203 0.758023 0.996934 H\n0.506161 0.741977 0.503066 H\n0.248797 0.241977 0.003066 H\n0.493839 0.258023 0.496934 H\n0.551749 0.694958 0.115596 H\n0.362303 0.805042 0.384404 H\n0.448251 0.305042 0.884404 H\n0.637697 0.194958 0.615596 H\n0.538706 0.628454 0.040886 H\n0.208047 0.871546 0.459114 H\n0.461294 0.371546 0.959114 H\n0.791953 0.128454 0.540886 H\n0.689208 0.604557 0.040112 H\n0.333877 0.895443 0.459888 H\n0.310792 0.395443 0.959888 H\n0.666123 0.104557 0.540112 H\n0.422063 0.783608 0.975858 H\n0.181529 0.716392 0.524142 H\n0.577937 0.216392 0.024142 H\n0.818471 0.283608 0.475858 H\n0.417730 0.866906 0.046920 H\n0.331556 0.633094 0.453080 H\n0.582270 0.133094 0.953080 H\n0.668444 0.366906 0.546920 H\n0.472846 0.889729 0.927369 H\n0.289943 0.610271 0.572631 H\n0.527154 0.110271 0.072631 H\n0.710057 0.389729 0.427369 H\n0.671183 0.712723 0.888661 C\n0.272567 0.787277 0.611339 C\n0.328817 0.287277 0.111339 C\n0.727433 0.212723 0.388661 C\n0.656756 0.813585 0.998907 C\n0.469248 0.686415 0.501093 C\n0.343244 0.186415 0.001093 C\n0.530752 0.313585 0.498907 C\n0.593893 0.664084 0.049201 C\n0.307177 0.835916 0.450799 C\n0.406107 0.335916 0.950799 C\n0.692823 0.164084 0.549201 C\n0.467549 0.829475 0.982843 C\n0.279867 0.670525 0.517157 C\n0.532451 0.170525 0.017157 C\n0.720133 0.329475 0.482843 C\n0.050041 0.082346 0.602012 Br\n0.734399 0.417654 0.897988 Br\n0.949959 0.917654 0.397988 Br\n0.265601 0.582346 0.102012 Br\n0.337439 0.080047 0.602171 Br\n0.019656 0.419953 0.897829 Br\n0.662561 0.919953 0.397829 Br\n0.980344 0.580047 0.102171 Br\n0.158418 0.960591 0.794632 Br\n0.913641 0.539409 0.705368 Br\n0.841582 0.039409 0.205368 Br\n0.086359 0.460591 0.294632 Br\n0.861549 0.129056 0.940488 Br\n0.931093 0.370944 0.559512 Br\n0.138451 0.870944 0.059512 Br\n0.068907 0.629056 0.440488 Br\n0.143471 0.129890 0.940072 Br\n0.213432 0.370110 0.559928 Br\n0.856529 0.870110 0.059928 Br\n0.786568 0.629890 0.440072 Br\n0.751629 0.250000 0.750000 Br\n0.248371 0.750000 0.250000 Br\n0.320777 0.250000 0.750000 Br\n0.679223 0.750000 0.250000 Br\n0.629854 0.027020 0.783543 Br\n0.440417 0.472980 0.716457 Br\n0.370146 0.972980 0.216457 Br\n0.559583 0.527020 0.283543 Br\n0.549904 0.760112 0.694064 Br\n0.004080 0.739888 0.805936 Br\n0.450096 0.239888 0.305936 Br\n0.995920 0.260112 0.194064 Br\n0.597323 0.754409 0.980020 N\n0.331752 0.745591 0.519980 N\n0.402677 0.245591 0.019980 N\n0.668248 0.254409 0.480020 N\n0.198346 0.209083 0.465932 O\n0.873361 0.290917 0.034068 O\n0.801654 0.790917 0.534068 O\n0.126639 0.709083 0.965932 O\n0.896661 0.007295 0.788206 O\n0.692162 0.492705 0.711794 O\n0.103339 0.992705 0.211794 O\n0.307838 0.507295 0.288206 O\n0.381805 0.002610 0.787350 O\n0.171765 0.497390 0.712650 O\n0.618195 0.997390 0.212650 O\n0.828235 0.502610 0.287350 O\n0.359839 0.647775 0.862299 O\n0.869914 0.852225 0.637701 O\n0.640161 0.352225 0.137701 O\n0.130086 0.147775 0.362299 O\n",
            "nsites": 160,
            "nelements": 6,
            "elements": [
                "Ta",
                "H",
                "C",
                "Br",
                "N",
                "O"
            ],
            "chemical_system": "Br-C-H-N-O-Ta",
            "density": 3.6572386883212014,
            "density_atomic": 0.06632451183985952,
            "volume": 2412.3811176525487,
            "volume_molar": 9.079811660793606,
            "formula_full": "Ta12 H80 C16 Br32 N4 O16",
            "formula_reduced": "Ta3H20C4Br8NO4",
            "formula_anonymous": "AB3C4D4E8F20",
            "energy": -858.68431337,
            "energy_per_atom": -5.3667769585625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -829.16031337,
            "band_gap": 1.4781,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.2523338,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:44.414000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-706836",
            "created_at": "2022-09-04T14:48:11.995822Z",
            "structure_string": "Mn27 Nb13 O60\n1.0\n4.759707 0.005748 3.173440\n1.701345 4.429151 3.166452\n0.452717 0.221026 56.891841\nMn Nb O\n27 13 60\ndirect\n0.283029 0.281717 0.027673 Mn\n0.282662 0.286454 0.128094 Mn\n0.784866 0.778924 0.077902 Mn\n0.283137 0.284358 0.228559 Mn\n0.786042 0.784650 0.178274 Mn\n0.280696 0.289408 0.328465 Mn\n0.783062 0.783814 0.278477 Mn\n0.269231 0.275263 0.431532 Mn\n0.483882 0.491580 0.454273 Mn\n0.785045 0.770654 0.379677 Mn\n0.283991 0.284207 0.531305 Mn\n0.495455 0.497589 0.552872 Mn\n0.784002 0.773155 0.481882 Mn\n0.276154 0.286631 0.632013 Mn\n0.493086 0.495620 0.651808 Mn\n0.784917 0.782485 0.580709 Mn\n-0.001101 0.985621 0.699690 Mn\n0.313901 0.300510 0.728069 Mn\n0.512623 0.511209 0.747960 Mn\n0.799791 0.780347 0.680251 Mn\n0.293313 0.292800 0.826092 Mn\n0.507966 0.507820 0.848361 Mn\n0.800117 0.808446 0.776434 Mn\n0.303604 0.298703 0.923958 Mn\n0.518377 0.506861 0.946845 Mn\n0.791482 0.794323 0.877491 Mn\n0.786005 0.809027 0.974477 Mn\n0.001202 0.024338 0.995717 Nb\n0.505608 0.496282 0.048105 Nb\n0.495251 0.493203 0.149423 Nb\n0.993232 0.995507 0.099176 Nb\n0.494036 0.493331 0.249800 Nb\n0.991960 0.993714 0.300018 Nb\n0.994522 0.994206 0.199582 Nb\n0.493307 0.491372 0.350910 Nb\n-0.007430 0.977021 0.403546 Nb\n0.990015 0.985267 0.502521 Nb\n0.984979 -0.005612 0.602064 Nb\n0.010355 0.003618 0.798655 Nb\n0.010030 0.006825 0.896998 Nb\n0.117274 0.359949 0.072795 O\n0.356319 0.717821 0.012991 O\n0.712993 0.114907 0.037545 O\n0.225152 0.852759 0.062292 O\n0.614464 0.220739 0.086163 O\n0.115306 0.364057 0.172380 O\n0.860034 0.601369 0.024804 O\n0.362966 0.721181 0.111683 O\n0.719675 0.119592 0.136322 O\n0.219643 0.867538 0.161378 O\n0.616312 0.219422 0.186680 O\n0.117582 0.363835 0.272532 O\n0.861834 0.618275 0.122471 O\n0.365746 0.721644 0.211436 O\n0.719540 0.117204 0.236552 O\n0.218688 0.865993 0.261739 O\n0.620503 0.220721 0.286447 O\n0.119470 0.358138 0.371262 O\n0.864809 0.615101 0.222346 O\n0.370471 0.712191 0.311108 O\n0.725024 0.119796 0.336705 O\n0.228838 0.867876 0.358962 O\n0.614182 0.233868 0.385850 O\n0.091611 0.360130 0.472224 O\n0.855635 0.617706 0.322602 O\n0.365202 0.736311 0.409217 O\n0.727061 0.104393 0.436314 O\n0.183741 0.891665 0.461843 O\n0.596242 0.184828 0.492403 O\n0.092631 0.359251 0.571917 O\n0.883461 0.636846 0.418036 O\n0.365562 0.702094 0.510558 O\n0.725815 0.092708 0.538061 O\n0.179203 0.912173 0.560557 O\n0.579533 0.192318 0.593761 O\n0.097744 0.372134 0.670575 O\n0.889241 0.611256 0.521121 O\n0.360591 0.709930 0.610403 O\n0.724386 0.094507 0.637915 O\n0.198280 0.894241 0.661242 O\n0.608613 0.176141 0.690716 O\n0.095409 0.379107 0.770782 O\n0.887341 0.609885 0.619745 O\n0.392631 0.690719 0.710373 O\n0.705019 0.103867 0.736856 O\n0.210916 0.918076 0.757083 O\n0.613905 0.207265 0.786097 O\n0.100240 0.374721 0.871614 O\n0.923678 0.594748 0.720166 O\n0.369668 0.733180 0.808003 O\n0.722504 0.100693 0.834747 O\n0.206949 0.895943 0.860328 O\n0.632070 0.193733 0.886691 O\n0.094273 0.371659 0.975514 O\n0.901707 0.626556 0.815655 O\n0.359528 0.731425 0.909981 O\n0.710320 0.109219 0.935713 O\n0.202035 0.880582 0.963520 O\n0.623166 0.190411 0.989625 O\n0.895860 0.615360 0.920041 O\n",
            "nsites": 100,
            "nelements": 3,
            "elements": [
                "Mn",
                "Nb",
                "O"
            ],
            "chemical_system": "Mn-Nb-O",
            "density": 5.093405197339434,
            "density_atomic": 0.08401144910926536,
            "volume": 1190.3139519702834,
            "volume_molar": 7.168238167356925,
            "formula_full": "Mn27 Nb13 O60",
            "formula_reduced": "Mn27Nb13O60",
            "formula_anonymous": "A13B27C60",
            "energy": -915.39329842,
            "energy_per_atom": -9.153932984199999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -829.1372984200001,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 131.2122846,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:28.585000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1200026",
            "created_at": "2022-09-04T14:42:17.492164Z",
            "structure_string": "Dy18 C18 O72\n1.0\n6.042665 -10.466203 0.000000\n6.042665 10.466203 0.000000\n0.000000 0.000000 9.672821\nDy C O\n18 18 72\ndirect\n0.557979 0.102352 0.256470 Dy\n0.544373 0.442021 0.256470 Dy\n0.897648 0.455627 0.256470 Dy\n0.557979 0.102352 0.743530 Dy\n0.544373 0.442021 0.743530 Dy\n0.897648 0.455627 0.743530 Dy\n0.888054 0.118530 0.239004 Dy\n0.230476 0.111946 0.239004 Dy\n0.881470 0.769524 0.239004 Dy\n0.888054 0.118530 0.760996 Dy\n0.230476 0.111946 0.760996 Dy\n0.881470 0.769524 0.760996 Dy\n0.222379 0.785557 0.257486 Dy\n0.563178 0.777621 0.257486 Dy\n0.214443 0.436822 0.257486 Dy\n0.222379 0.785557 0.742514 Dy\n0.563178 0.777621 0.742514 Dy\n0.214443 0.436822 0.742514 Dy\n0.799202 0.817987 0.500000 C\n0.018785 0.200798 0.500000 C\n0.182013 0.981215 0.500000 C\n0.764779 0.226998 0.500000 C\n0.462219 0.235221 0.500000 C\n0.773002 0.537781 0.500000 C\n0.449141 0.871472 0.500000 C\n0.422331 0.550859 0.500000 C\n0.128528 0.577669 0.500000 C\n0.796599 0.887219 0.000000 C\n0.090620 0.203401 0.000000 C\n0.112781 0.909380 0.000000 C\n0.511210 0.860923 0.000000 C\n0.349713 0.488790 0.000000 C\n0.139077 0.650287 0.000000 C\n0.694263 0.161919 0.000000 C\n0.467656 0.305737 0.000000 C\n0.838081 0.532344 0.000000 C\n0.905367 0.815911 0.500000 O\n0.910544 0.094633 0.500000 O\n0.184089 0.089456 0.500000 O\n0.748270 0.817767 0.383298 O\n0.069497 0.251730 0.383298 O\n0.182233 0.930503 0.383298 O\n0.748270 0.817767 0.616702 O\n0.069497 0.251730 0.616702 O\n0.182233 0.930503 0.616702 O\n0.641281 0.159420 0.500000 O\n0.518140 0.358719 0.500000 O\n0.840580 0.481860 0.500000 O\n0.824888 0.259737 0.383247 O\n0.434848 0.175112 0.383247 O\n0.740263 0.565152 0.383247 O\n0.824888 0.259737 0.616753 O\n0.434848 0.175112 0.616753 O\n0.740263 0.565152 0.616753 O\n0.504846 0.803881 0.500000 O\n0.299035 0.495154 0.500000 O\n0.196119 0.700965 0.500000 O\n0.421835 0.905017 0.383844 O\n0.483182 0.578165 0.383844 O\n0.094983 0.516818 0.383844 O\n0.421835 0.905017 0.616156 O\n0.483182 0.578165 0.616156 O\n0.094983 0.516818 0.616156 O\n0.859213 0.826187 0.000000 O\n0.966975 0.140787 0.000000 O\n0.173813 0.033025 0.000000 O\n0.766395 0.916721 0.883057 O\n0.150326 0.233605 0.883057 O\n0.083279 0.849674 0.883057 O\n0.766395 0.916721 0.116943 O\n0.150326 0.233605 0.116943 O\n0.083279 0.849674 0.116943 O\n0.516395 0.755943 0.000000 O\n0.239548 0.483605 0.000000 O\n0.244057 0.760452 0.000000 O\n0.510502 0.910490 0.882370 O\n0.399988 0.489498 0.882370 O\n0.089510 0.600012 0.882370 O\n0.510502 0.910490 0.117630 O\n0.399988 0.489498 0.117630 O\n0.089510 0.600012 0.117630 O\n0.584591 0.156487 0.000000 O\n0.571896 0.415409 0.000000 O\n0.843513 0.428104 0.000000 O\n0.745047 0.162127 0.883195 O\n0.417081 0.254953 0.883195 O\n0.837873 0.582919 0.883195 O\n0.745047 0.162127 0.116805 O\n0.417081 0.254953 0.116805 O\n0.837873 0.582919 0.116805 O\n0.666667 0.333333 0.243929 O\n0.666667 0.333333 0.756071 O\n0.000000 0.000000 0.256013 O\n0.000000 0.000000 0.743987 O\n0.333333 0.666667 0.248111 O\n0.333333 0.666667 0.751889 O\n0.343226 0.001740 0.192572 O\n0.658514 0.656774 0.192572 O\n0.998260 0.341486 0.192572 O\n0.343226 0.001740 0.807428 O\n0.658514 0.656774 0.807428 O\n0.998260 0.341486 0.807428 O\n0.002761 0.678272 0.309549 O\n0.675511 0.997239 0.309549 O\n0.321728 0.324489 0.309549 O\n0.002761 0.678272 0.690451 O\n0.675511 0.997239 0.690451 O\n0.321728 0.324489 0.690451 O\n",
            "nsites": 108,
            "nelements": 3,
            "elements": [
                "Dy",
                "C",
                "O"
            ],
            "chemical_system": "C-Dy-O",
            "density": 5.826721771412304,
            "density_atomic": 0.08827199394468259,
            "volume": 1223.4911116619883,
            "volume_molar": 6.8222552713309,
            "formula_full": "Dy18 C18 O72",
            "formula_reduced": "DyCO4",
            "formula_anonymous": "ABC4",
            "energy": -878.5928706899999,
            "energy_per_atom": -8.135119173055555,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -829.12887069,
            "band_gap": 0.1064,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 18.00003,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:42.673000Z",
            "spacegroup": 174
        },
        {
            "id": "mp-1205188",
            "created_at": "2022-09-04T14:40:10.224968Z",
            "structure_string": "Nd18 C18 O72\n1.0\n6.293013 -10.899817 0.000000\n6.293013 10.899817 0.000000\n0.000000 0.000000 9.933100\nNd C O\n18 18 72\ndirect\n0.120174 0.890392 0.251946 Nd\n0.770218 0.879826 0.251946 Nd\n0.109608 0.229782 0.251946 Nd\n0.120174 0.890392 0.748054 Nd\n0.770218 0.879826 0.748054 Nd\n0.109608 0.229782 0.748054 Nd\n0.437719 0.220116 0.242545 Nd\n0.782397 0.562281 0.242545 Nd\n0.779884 0.217603 0.242545 Nd\n0.437719 0.220116 0.757455 Nd\n0.782397 0.562281 0.757455 Nd\n0.779884 0.217603 0.757455 Nd\n0.100741 0.553163 0.253207 Nd\n0.452422 0.899259 0.253207 Nd\n0.446837 0.547578 0.253207 Nd\n0.100741 0.553163 0.746793 Nd\n0.452422 0.899259 0.746793 Nd\n0.446837 0.547578 0.746793 Nd\n0.645563 0.139384 0.500000 C\n0.493821 0.354437 0.500000 C\n0.860616 0.506179 0.500000 C\n0.191887 0.163148 0.500000 C\n0.971260 0.808113 0.500000 C\n0.836852 0.028740 0.500000 C\n0.171680 0.701497 0.500000 C\n0.529816 0.828320 0.500000 C\n0.298503 0.470184 0.500000 C\n0.577364 0.131089 0.000000 C\n0.553725 0.422636 0.000000 C\n0.868911 0.446275 0.000000 C\n0.312185 0.841792 0.000000 C\n0.529606 0.687815 0.000000 C\n0.158208 0.470394 0.000000 C\n0.199530 0.032778 0.000000 C\n0.833248 0.800470 0.000000 C\n0.967222 0.166752 0.000000 C\n0.750402 0.239936 0.500000 O\n0.489534 0.249598 0.500000 O\n0.760064 0.510466 0.500000 O\n0.596133 0.089964 0.385836 O\n0.493831 0.403867 0.385836 O\n0.910036 0.506169 0.385836 O\n0.596133 0.089964 0.614164 O\n0.493831 0.403867 0.614164 O\n0.910036 0.506169 0.614164 O\n0.093487 0.172972 0.500000 O\n0.079485 0.906513 0.500000 O\n0.827028 0.920515 0.500000 O\n0.238813 0.160717 0.385115 O\n0.921905 0.761187 0.385115 O\n0.839283 0.078095 0.385115 O\n0.238813 0.160717 0.614885 O\n0.921905 0.761187 0.614885 O\n0.839283 0.078095 0.614885 O\n0.160775 0.592988 0.500000 O\n0.432213 0.839225 0.500000 O\n0.407012 0.567787 0.500000 O\n0.174677 0.751200 0.385472 O\n0.576523 0.825323 0.385472 O\n0.248800 0.423477 0.385472 O\n0.174677 0.751200 0.614528 O\n0.576523 0.825323 0.614528 O\n0.248800 0.423477 0.614528 O\n0.695947 0.191065 0.000000 O\n0.495118 0.304053 0.000000 O\n0.808935 0.504882 0.000000 O\n0.519177 0.101525 0.886150 O\n0.582347 0.480823 0.886150 O\n0.898475 0.417653 0.886150 O\n0.519177 0.101525 0.113850 O\n0.582347 0.480823 0.113850 O\n0.898475 0.417653 0.113850 O\n0.419259 0.849337 0.000000 O\n0.430079 0.580741 0.000000 O\n0.150663 0.569921 0.000000 O\n0.262404 0.839624 0.885651 O\n0.577220 0.737596 0.885651 O\n0.160376 0.422780 0.885651 O\n0.262404 0.839624 0.114349 O\n0.577220 0.737596 0.114349 O\n0.160376 0.422780 0.114349 O\n0.099738 0.926882 0.000000 O\n0.827144 0.900262 0.000000 O\n0.073118 0.172856 0.000000 O\n0.248125 0.082320 0.886070 O\n0.834194 0.751875 0.886070 O\n0.917680 0.165806 0.886070 O\n0.248125 0.082320 0.113930 O\n0.834194 0.751875 0.113930 O\n0.917680 0.165806 0.113930 O\n0.000000 0.000000 0.245862 O\n0.000000 0.000000 0.754138 O\n0.666667 0.333333 0.252661 O\n0.666667 0.333333 0.747339 O\n0.333333 0.666667 0.249394 O\n0.333333 0.666667 0.750606 O\n0.004745 0.673469 0.191662 O\n0.668724 0.995255 0.191662 O\n0.326531 0.331276 0.191662 O\n0.004745 0.673469 0.808338 O\n0.668724 0.995255 0.808338 O\n0.326531 0.331276 0.808338 O\n0.995202 0.335797 0.306524 O\n0.340595 0.004798 0.306524 O\n0.664203 0.659405 0.306524 O\n0.995202 0.335797 0.693476 O\n0.340595 0.004798 0.693476 O\n0.664203 0.659405 0.693476 O\n",
            "nsites": 108,
            "nelements": 3,
            "elements": [
                "Nd",
                "C",
                "O"
            ],
            "chemical_system": "C-Nd-O",
            "density": 4.831093829404018,
            "density_atomic": 0.07925581143496975,
            "volume": 1362.6760996399005,
            "volume_molar": 7.598358594740061,
            "formula_full": "Nd18 C18 O72",
            "formula_reduced": "NdCO4",
            "formula_anonymous": "ABC4",
            "energy": -878.3423597100001,
            "energy_per_atom": -8.132799626944445,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -828.87835971,
            "band_gap": 0.1465,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 18.0248103,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:49.043000Z",
            "spacegroup": 174
        },
        {
            "id": "mp-1201399",
            "created_at": "2022-09-04T14:46:12.584303Z",
            "structure_string": "Sm18 C18 O72\n1.0\n6.188111 -10.718123 0.000000\n6.188111 10.718123 0.000000\n0.000000 0.000000 9.821997\nSm C O\n18 18 72\ndirect\n0.785030 0.221788 0.760066 Sm\n0.436758 0.214970 0.760066 Sm\n0.778212 0.563242 0.760066 Sm\n0.785030 0.221788 0.239934 Sm\n0.436758 0.214970 0.239934 Sm\n0.778212 0.563242 0.239934 Sm\n0.451120 0.555546 0.743263 Sm\n0.104426 0.548880 0.743263 Sm\n0.444454 0.895574 0.743263 Sm\n0.451120 0.555546 0.256737 Sm\n0.104426 0.548880 0.256737 Sm\n0.444454 0.895574 0.256737 Sm\n0.770090 0.891230 0.743656 Sm\n0.121139 0.229910 0.743656 Sm\n0.108770 0.878861 0.743656 Sm\n0.770090 0.891230 0.256344 Sm\n0.121139 0.229910 0.256344 Sm\n0.108770 0.878861 0.256344 Sm\n0.313704 0.470513 0.000000 C\n0.156810 0.686296 0.000000 C\n0.529487 0.843190 0.000000 C\n0.869592 0.424054 0.000000 C\n0.554461 0.130408 0.000000 C\n0.575946 0.445539 0.000000 C\n0.830258 0.029042 0.000000 C\n0.198785 0.169742 0.000000 C\n0.970958 0.801215 0.000000 C\n0.537194 0.781693 0.500000 C\n0.244499 0.462806 0.500000 C\n0.218307 0.755501 0.500000 C\n0.903796 0.795661 0.500000 C\n0.891865 0.096204 0.500000 C\n0.204339 0.108135 0.500000 C\n0.868643 0.354421 0.500000 C\n0.485778 0.131357 0.500000 C\n0.645579 0.514222 0.500000 C\n0.421300 0.573337 0.000000 O\n0.152038 0.578700 0.000000 O\n0.426663 0.847962 0.000000 O\n0.264231 0.421819 0.884238 O\n0.157587 0.735769 0.884238 O\n0.578181 0.842413 0.884238 O\n0.264231 0.421819 0.115762 O\n0.157587 0.735769 0.115762 O\n0.578181 0.842413 0.115762 O\n0.807576 0.303063 0.000000 O\n0.495487 0.192424 0.000000 O\n0.696937 0.504513 0.000000 O\n0.582893 0.100513 0.884733 O\n0.517620 0.417107 0.884733 O\n0.899487 0.482380 0.884733 O\n0.582893 0.100513 0.115267 O\n0.517620 0.417107 0.115267 O\n0.899487 0.482380 0.115267 O\n0.825521 0.922107 0.000000 O\n0.096586 0.174479 0.000000 O\n0.077893 0.903414 0.000000 O\n0.830375 0.078980 0.884863 O\n0.248605 0.169625 0.884863 O\n0.921020 0.751395 0.884863 O\n0.830375 0.078980 0.115137 O\n0.248605 0.169625 0.115137 O\n0.921020 0.751395 0.115137 O\n0.364816 0.529150 0.500000 O\n0.164334 0.635184 0.500000 O\n0.470850 0.835666 0.500000 O\n0.570265 0.755258 0.614602 O\n0.184993 0.429735 0.614602 O\n0.244742 0.815007 0.614602 O\n0.570265 0.755258 0.385398 O\n0.184993 0.429735 0.385398 O\n0.244742 0.815007 0.385398 O\n0.827099 0.975094 0.500000 O\n0.147995 0.172901 0.500000 O\n0.024906 0.852005 0.500000 O\n0.845223 0.768453 0.615100 O\n0.923230 0.154777 0.615100 O\n0.231547 0.076770 0.615100 O\n0.845223 0.768453 0.384900 O\n0.923230 0.154777 0.384900 O\n0.231547 0.076770 0.384900 O\n0.765122 0.248342 0.500000 O\n0.483220 0.234878 0.500000 O\n0.751658 0.516780 0.500000 O\n0.918591 0.404452 0.614932 O\n0.485860 0.081409 0.614932 O\n0.595548 0.514140 0.614932 O\n0.918591 0.404452 0.385068 O\n0.485860 0.081409 0.385068 O\n0.595548 0.514140 0.385068 O\n0.666667 0.333333 0.741600 O\n0.666667 0.333333 0.258400 O\n0.333333 0.666667 0.753472 O\n0.333333 0.666667 0.246528 O\n0.000000 0.000000 0.756373 O\n0.000000 0.000000 0.243627 O\n0.343977 0.336054 0.691511 O\n0.992077 0.656023 0.691511 O\n0.663946 0.007923 0.691511 O\n0.343977 0.336054 0.308489 O\n0.992077 0.656023 0.308489 O\n0.663946 0.007923 0.308489 O\n0.668261 0.675773 0.806373 O\n0.007512 0.331739 0.806373 O\n0.324227 0.992488 0.806373 O\n0.668261 0.675773 0.193627 O\n0.007512 0.331739 0.193627 O\n0.324227 0.992488 0.193627 O\n",
            "nsites": 108,
            "nelements": 3,
            "elements": [
                "Sm",
                "C",
                "O"
            ],
            "chemical_system": "C-O-Sm",
            "density": 5.1931466534119295,
            "density_atomic": 0.08289286126629165,
            "volume": 1302.8866219619583,
            "volume_molar": 7.264969103496131,
            "formula_full": "Sm18 C18 O72",
            "formula_reduced": "SmCO4",
            "formula_anonymous": "ABC4",
            "energy": -878.2999736700002,
            "energy_per_atom": -8.132407163611113,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -828.83597367,
            "band_gap": 0.102,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 17.9982042,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:24.523000Z",
            "spacegroup": 174
        },
        {
            "id": "mp-1226658",
            "created_at": "2022-09-04T14:47:19.857382Z",
            "structure_string": "K19 Ti3 Sb29 O88\n1.0\n-0.009740 -0.011794 -10.304557\n0.004635 -10.416023 -0.011893\n-20.049102 0.005559 -2.823107\nK Ti Sb O\n19 3 29 88\ndirect\n0.205558 0.717862 0.339851 K\n0.292499 0.218299 0.159556 K\n0.794802 0.283831 0.661797 K\n0.714918 0.778438 0.845674 K\n0.640845 0.898407 0.017618 K\n0.866590 0.411362 0.480944 K\n0.368539 0.093073 0.981575 K\n0.133119 0.589302 0.519383 K\n0.001450 0.963141 0.252706 K\n0.496991 0.461900 0.249213 K\n0.993234 0.037457 0.748183 K\n0.508127 0.537182 0.750597 K\n0.801397 0.701792 0.140515 K\n0.700529 0.213880 0.352171 K\n0.199140 0.289134 0.852557 K\n0.297249 0.785049 0.649725 K\n0.394799 0.873285 0.471585 K\n0.078662 0.393444 0.024850 K\n0.605985 0.126827 0.528812 K\n0.702169 0.332658 0.076243 Ti\n0.800520 0.834147 0.422980 Ti\n0.198988 0.165795 0.576939 Ti\n0.459727 0.560300 0.067993 Sb\n0.044059 0.065472 0.433524 Sb\n0.544167 0.434256 0.933508 Sb\n0.956117 0.934229 0.566434 Sb\n0.942642 0.046388 0.068835 Sb\n0.557357 0.543909 0.430421 Sb\n0.055319 0.959199 0.928986 Sb\n0.442278 0.456567 0.569590 Sb\n0.148680 0.559227 0.185427 Sb\n0.352314 0.060709 0.315175 Sb\n0.852121 0.441715 0.816965 Sb\n0.648623 0.939339 0.684859 Sb\n0.171108 0.792336 0.077261 Sb\n0.325263 0.290410 0.426126 Sb\n0.823760 0.210377 0.925130 Sb\n0.674953 0.709614 0.573979 Sb\n0.646365 0.073132 0.190179 Sb\n0.854060 0.573631 0.308813 Sb\n0.356065 0.928644 0.809124 Sb\n0.144937 0.426812 0.691083 Sb\n0.923439 0.298706 0.192614 Sb\n0.578716 0.799643 0.307112 Sb\n0.074398 0.698232 0.809374 Sb\n0.421477 0.200122 0.692040 Sb\n0.395739 0.848890 0.169804 Sb\n0.105041 0.348486 0.330726 Sb\n0.605513 0.153149 0.829520 Sb\n0.895025 0.651460 0.670082 Sb\n0.297595 0.672079 0.925946 Sb\n0.419193 0.898715 0.344484 O\n0.081498 0.399081 0.154522 O\n0.580755 0.100688 0.655287 O\n0.916391 0.603118 0.847090 O\n0.488683 0.664258 0.368199 O\n0.013395 0.163511 0.131434 O\n0.511905 0.335219 0.630872 O\n0.990738 0.842868 0.864782 O\n0.021927 0.896535 0.113580 O\n0.474924 0.395556 0.386909 O\n0.975188 0.106582 0.885897 O\n0.524814 0.604792 0.612969 O\n0.499985 0.729915 0.103223 O\n0.996120 0.231441 0.395966 O\n0.495418 0.270427 0.895147 O\n0.003280 0.768403 0.604109 O\n0.328543 0.502905 0.143254 O\n0.172907 0.003361 0.357378 O\n0.669737 0.496063 0.856822 O\n0.827499 0.997014 0.642390 O\n0.891612 0.717708 0.369795 O\n0.609841 0.217373 0.128979 O\n0.108102 0.282202 0.630084 O\n0.411018 0.787977 0.872565 O\n0.398984 0.580617 0.497351 O\n0.102547 0.078417 0.002211 O\n0.600656 0.419976 0.502397 O\n0.901411 0.923068 0.996827 O\n0.722873 0.490694 0.378252 O\n0.777458 0.991485 0.120267 O\n0.276572 0.510007 0.621575 O\n0.224564 0.007785 0.879619 O\n0.224808 0.745114 0.176787 O\n0.275531 0.244752 0.323852 O\n0.774636 0.256231 0.822820 O\n0.724643 0.755466 0.676339 O\n0.310278 0.914971 0.088578 O\n0.188629 0.416054 0.411335 O\n0.688447 0.084363 0.910654 O\n0.810994 0.583942 0.589063 O\n0.996417 0.646348 0.240264 O\n0.504215 0.146816 0.259102 O\n0.003841 0.354559 0.760120 O\n0.494815 0.854260 0.739851 O\n0.893867 0.981873 0.397607 O\n0.609191 0.481413 0.103556 O\n0.106295 0.017784 0.602277 O\n0.390237 0.514231 0.895004 O\n0.656717 0.873183 0.385049 O\n0.843753 0.371189 0.115492 O\n0.343509 0.126425 0.614241 O\n0.148001 0.615052 0.888081 O\n0.524011 0.979902 0.139569 O\n0.977103 0.481669 0.359182 O\n0.475145 0.024013 0.858951 O\n0.022540 0.518419 0.640359 O\n0.658311 0.686295 0.477274 O\n0.843644 0.189290 0.021783 O\n0.341461 0.314214 0.522639 O\n0.166056 0.814955 0.977020 O\n0.717690 0.674142 0.270737 O\n0.784397 0.172876 0.227582 O\n0.283494 0.326681 0.727556 O\n0.224162 0.815819 0.776813 O\n0.079794 0.629752 0.100519 O\n0.422741 0.129767 0.400469 O\n0.922462 0.367906 0.899710 O\n0.577924 0.870351 0.599454 O\n0.679298 0.929909 0.250223 O\n0.821317 0.428400 0.249879 O\n0.318035 0.070143 0.749136 O\n0.177713 0.571078 0.750697 O\n0.310710 0.658357 0.023005 O\n0.186396 0.162872 0.477938 O\n0.684322 0.335677 0.977854 O\n0.813813 0.837116 0.521807 O\n0.466847 0.742554 0.238176 O\n0.035551 0.242642 0.261330 O\n0.532878 0.257578 0.760772 O\n0.968297 0.757282 0.738382 O\n0.294504 0.980140 0.232428 O\n0.206821 0.479188 0.267576 O\n0.705484 0.019834 0.767396 O\n0.794709 0.521592 0.733502 O\n0.080821 0.900186 0.481349 O\n0.419851 0.398994 0.018741 O\n0.919617 0.099532 0.518486 O\n0.571149 0.601092 0.980892 O\n",
            "nsites": 139,
            "nelements": 4,
            "elements": [
                "K",
                "Ti",
                "Sb",
                "O"
            ],
            "chemical_system": "K-O-Sb-Ti",
            "density": 4.495844625079633,
            "density_atomic": 0.06460216573878584,
            "volume": 2151.6306521678607,
            "volume_molar": 9.321886799198172,
            "formula_full": "K19 Ti3 Sb29 O88",
            "formula_reduced": "K19Ti3Sb29O88",
            "formula_anonymous": "A3B19C29D88",
            "energy": -889.28719478,
            "energy_per_atom": -6.397749602733813,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -828.83119478,
            "band_gap": 1.5473,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:02.505000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1097018",
            "created_at": "2022-09-04T14:39:22.947382Z",
            "structure_string": "Cr32 N64\n1.0\n5.336306 -11.221998 0.000000\n5.336306 11.221998 0.000000\n0.000000 0.000000 21.449851\nCr N\n32 64\ndirect\n0.637561 0.279923 0.828369 Cr\n0.720077 0.362439 0.171631 Cr\n0.637561 0.279923 0.671631 Cr\n0.720077 0.362439 0.328369 Cr\n0.362439 0.720077 0.171631 Cr\n0.279923 0.637561 0.828369 Cr\n0.362439 0.720077 0.328369 Cr\n0.279923 0.637561 0.671631 Cr\n0.321452 0.473617 0.940852 Cr\n0.526383 0.678548 0.059148 Cr\n0.321452 0.473617 0.559148 Cr\n0.526383 0.678548 0.440852 Cr\n0.678548 0.526383 0.059148 Cr\n0.473617 0.321452 0.940852 Cr\n0.678548 0.526383 0.440852 Cr\n0.473617 0.321452 0.559148 Cr\n0.962063 0.491052 0.890556 Cr\n0.508948 0.037937 0.109444 Cr\n0.962063 0.491052 0.609444 Cr\n0.508948 0.037937 0.390556 Cr\n0.037937 0.508948 0.109444 Cr\n0.491052 0.962063 0.890556 Cr\n0.037937 0.508948 0.390556 Cr\n0.491052 0.962063 0.609444 Cr\n0.000553 0.309774 0.993819 Cr\n0.690226 0.999447 0.006181 Cr\n0.000553 0.309774 0.506181 Cr\n0.690226 0.999447 0.493819 Cr\n0.999447 0.690226 0.006181 Cr\n0.309774 0.000553 0.993819 Cr\n0.999447 0.690226 0.493819 Cr\n0.309774 0.000553 0.506181 Cr\n0.604145 0.280090 0.750000 N\n0.719910 0.395855 0.250000 N\n0.395855 0.719910 0.250000 N\n0.280090 0.604145 0.750000 N\n0.577227 0.115008 0.848902 N\n0.884992 0.422773 0.151098 N\n0.577227 0.115008 0.651098 N\n0.884992 0.422773 0.348902 N\n0.422773 0.884992 0.151098 N\n0.115008 0.577227 0.848902 N\n0.422773 0.884992 0.348902 N\n0.115008 0.577227 0.651098 N\n0.405307 0.594693 0.000000 N\n0.405307 0.594693 0.500000 N\n0.594693 0.405307 0.000000 N\n0.594693 0.405307 0.500000 N\n0.154559 0.351172 0.968000 N\n0.648828 0.845441 0.032000 N\n0.154559 0.351172 0.532000 N\n0.648828 0.845441 0.468000 N\n0.845441 0.648828 0.032000 N\n0.351172 0.154559 0.968000 N\n0.845441 0.648828 0.468000 N\n0.351172 0.154559 0.532000 N\n0.402415 0.402415 0.928930 N\n0.597585 0.597585 0.071070 N\n0.402415 0.402415 0.571070 N\n0.597585 0.597585 0.428930 N\n0.952239 0.379425 0.942364 N\n0.620575 0.047761 0.057636 N\n0.952239 0.379425 0.557636 N\n0.620575 0.047761 0.442364 N\n0.047761 0.620575 0.057636 N\n0.379425 0.952239 0.942364 N\n0.047761 0.620575 0.442364 N\n0.379425 0.952239 0.557636 N\n0.557209 0.323132 0.875379 N\n0.676868 0.442791 0.124621 N\n0.557209 0.323132 0.624621 N\n0.676868 0.442791 0.375379 N\n0.442791 0.676868 0.124621 N\n0.323132 0.557209 0.875379 N\n0.442791 0.676868 0.375379 N\n0.323132 0.557209 0.624621 N\n0.812759 0.398256 0.844491 N\n0.601744 0.187241 0.155509 N\n0.812759 0.398256 0.655509 N\n0.601744 0.187241 0.344491 N\n0.187241 0.601744 0.155509 N\n0.398256 0.812759 0.844491 N\n0.187241 0.601744 0.344491 N\n0.398256 0.812759 0.655509 N\n0.967736 0.611566 0.934324 N\n0.388434 0.032264 0.065676 N\n0.967736 0.611566 0.565676 N\n0.388434 0.032264 0.434324 N\n0.032264 0.388434 0.065676 N\n0.611566 0.967736 0.934324 N\n0.032264 0.388434 0.434324 N\n0.611566 0.967736 0.565676 N\n0.867361 0.132639 0.000000 N\n0.867361 0.132639 0.500000 N\n0.132639 0.867361 0.000000 N\n0.132639 0.867361 0.500000 N\n",
            "nsites": 96,
            "nelements": 2,
            "elements": [
                "Cr",
                "N"
            ],
            "chemical_system": "Cr-N",
            "density": 1.654914055162184,
            "density_atomic": 0.0373685326967416,
            "volume": 2569.0064091911977,
            "volume_molar": 16.1155398015537,
            "formula_full": "Cr32 N64",
            "formula_reduced": "CrN2",
            "formula_anonymous": "AB2",
            "energy": -851.7004350900002,
            "energy_per_atom": -8.871879532187501,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -828.59643509,
            "band_gap": 0.1086,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0443322,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:42.468000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-1200004",
            "created_at": "2022-09-04T14:40:00.763066Z",
            "structure_string": "Ho18 C18 O72\n1.0\n6.018957 -10.425140 0.000000\n6.018957 10.425140 0.000000\n0.000000 0.000000 9.654049\nHo C O\n18 18 72\ndirect\n0.230821 0.117977 0.261199 Ho\n0.887155 0.769179 0.261199 Ho\n0.882023 0.112845 0.261199 Ho\n0.230821 0.117977 0.738801 Ho\n0.887155 0.769179 0.738801 Ho\n0.882023 0.112845 0.738801 Ho\n0.563130 0.786600 0.242783 Ho\n0.223471 0.436870 0.242783 Ho\n0.213400 0.776529 0.242783 Ho\n0.563130 0.786600 0.757217 Ho\n0.223471 0.436870 0.757217 Ho\n0.213400 0.776529 0.757217 Ho\n0.544140 0.101742 0.242794 Ho\n0.557602 0.455860 0.242794 Ho\n0.898258 0.442398 0.242794 Ho\n0.544140 0.101742 0.757206 Ho\n0.557602 0.455860 0.757206 Ho\n0.898258 0.442398 0.757206 Ho\n0.508881 0.650684 0.500000 C\n0.141803 0.491119 0.500000 C\n0.349316 0.858197 0.500000 C\n0.113976 0.203540 0.500000 C\n0.089564 0.886024 0.500000 C\n0.796460 0.910436 0.500000 C\n0.468064 0.160078 0.500000 C\n0.692013 0.531936 0.500000 C\n0.839922 0.307987 0.500000 C\n0.421775 0.871546 0.000000 C\n0.449771 0.578225 0.000000 C\n0.128454 0.550229 0.000000 C\n0.775336 0.237534 0.000000 C\n0.462199 0.224664 0.000000 C\n0.762466 0.537801 0.000000 C\n0.182561 0.200779 0.000000 C\n0.018218 0.817439 0.000000 C\n0.799221 0.981782 0.000000 C\n0.516366 0.762331 0.500000 O\n0.245965 0.483634 0.500000 O\n0.237669 0.754035 0.500000 O\n0.507310 0.599802 0.382015 O\n0.092492 0.492690 0.382015 O\n0.400198 0.907508 0.382015 O\n0.507310 0.599802 0.617985 O\n0.092492 0.492690 0.617985 O\n0.400198 0.907508 0.617985 O\n0.176084 0.141253 0.500000 O\n0.965168 0.823916 0.500000 O\n0.858747 0.034832 0.500000 O\n0.149403 0.915984 0.382821 O\n0.766581 0.850597 0.382821 O\n0.084016 0.233419 0.382821 O\n0.149403 0.915984 0.617179 O\n0.766581 0.850597 0.617179 O\n0.084016 0.233419 0.617179 O\n0.572923 0.155069 0.500000 O\n0.582145 0.427077 0.500000 O\n0.844931 0.417855 0.500000 O\n0.416897 0.159962 0.382841 O\n0.743065 0.583103 0.382841 O\n0.840038 0.256935 0.382841 O\n0.416897 0.159962 0.617159 O\n0.743065 0.583103 0.617159 O\n0.840038 0.256935 0.617159 O\n0.505635 0.701853 0.000000 O\n0.196219 0.494365 0.000000 O\n0.298147 0.803781 0.000000 O\n0.483059 0.905354 0.116422 O\n0.422296 0.516941 0.116422 O\n0.094646 0.577704 0.116422 O\n0.483059 0.905354 0.883578 O\n0.422296 0.516941 0.883578 O\n0.094646 0.577704 0.883578 O\n0.517047 0.155272 0.000000 O\n0.638225 0.482953 0.000000 O\n0.844728 0.361775 0.000000 O\n0.741968 0.177629 0.117138 O\n0.435662 0.258032 0.117138 O\n0.822371 0.564338 0.117138 O\n0.741968 0.177629 0.882862 O\n0.435662 0.258032 0.882862 O\n0.822371 0.564338 0.882862 O\n0.184945 0.094376 0.000000 O\n0.909430 0.815055 0.000000 O\n0.905624 0.090570 0.000000 O\n0.182615 0.251931 0.117136 O\n0.069317 0.817385 0.117136 O\n0.748069 0.930683 0.117136 O\n0.182615 0.251931 0.882864 O\n0.069317 0.817385 0.882864 O\n0.748069 0.930683 0.882864 O\n0.000000 0.000000 0.243650 O\n0.000000 0.000000 0.756350 O\n0.333333 0.666667 0.249543 O\n0.333333 0.666667 0.750457 O\n0.666667 0.333333 0.255951 O\n0.666667 0.333333 0.744049 O\n0.674946 0.679083 0.192274 O\n0.004137 0.325054 0.192274 O\n0.320917 0.995863 0.192274 O\n0.674946 0.679083 0.807726 O\n0.004137 0.325054 0.807726 O\n0.320917 0.995863 0.807726 O\n0.659292 0.002995 0.305873 O\n0.343703 0.340708 0.305873 O\n0.997005 0.656297 0.305873 O\n0.659292 0.002995 0.694127 O\n0.343703 0.340708 0.694127 O\n0.997005 0.656297 0.694127 O\n",
            "nsites": 108,
            "nelements": 3,
            "elements": [
                "Ho",
                "C",
                "O"
            ],
            "chemical_system": "C-Ho-O",
            "density": 5.944090186348684,
            "density_atomic": 0.08914174358107502,
            "volume": 1211.5535961193452,
            "volume_molar": 6.755691013069339,
            "formula_full": "Ho18 C18 O72",
            "formula_reduced": "HoCO4",
            "formula_anonymous": "ABC4",
            "energy": -877.9947067300001,
            "energy_per_atom": -8.12958061787037,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -828.53070673,
            "band_gap": 0.1253000000000002,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 18.0002575,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:51.229000Z",
            "spacegroup": 174
        },
        {
            "id": "mp-1096968",
            "created_at": "2022-09-04T14:41:50.851764Z",
            "structure_string": "Cr32 N64\n1.0\n10.437404 -12.757128 0.000000\n10.437404 12.757128 0.000000\n0.000000 0.000000 9.158106\nCr N\n32 64\ndirect\n0.117588 0.882412 0.938023 Cr\n0.882412 0.117588 0.061977 Cr\n0.117588 0.882412 0.561977 Cr\n0.882412 0.117588 0.438023 Cr\n0.243854 0.756146 0.064249 Cr\n0.756146 0.243854 0.935751 Cr\n0.243854 0.756146 0.435751 Cr\n0.756146 0.243854 0.564249 Cr\n0.129349 0.585644 0.936053 Cr\n0.585644 0.129349 0.063947 Cr\n0.129349 0.585644 0.563947 Cr\n0.585644 0.129349 0.436053 Cr\n0.870651 0.414356 0.063947 Cr\n0.414356 0.870651 0.936053 Cr\n0.870651 0.414356 0.436053 Cr\n0.414356 0.870651 0.563947 Cr\n0.932110 0.605201 0.936320 Cr\n0.605201 0.932110 0.063680 Cr\n0.932110 0.605201 0.563680 Cr\n0.605201 0.932110 0.436320 Cr\n0.067890 0.394799 0.063680 Cr\n0.394799 0.067890 0.936320 Cr\n0.067890 0.394799 0.436320 Cr\n0.394799 0.067890 0.563680 Cr\n0.922514 0.794723 0.061241 Cr\n0.794723 0.922514 0.938759 Cr\n0.922514 0.794723 0.438759 Cr\n0.794723 0.922514 0.561241 Cr\n0.077486 0.205277 0.938759 Cr\n0.205277 0.077486 0.061241 Cr\n0.077486 0.205277 0.561241 Cr\n0.205277 0.077486 0.438759 Cr\n0.110691 0.889309 0.750000 N\n0.889309 0.110691 0.250000 N\n0.183372 0.816628 0.978632 N\n0.816628 0.183372 0.021368 N\n0.183372 0.816628 0.521368 N\n0.816628 0.183372 0.478632 N\n0.020258 0.844250 0.007744 N\n0.844250 0.020258 0.992256 N\n0.020258 0.844250 0.492256 N\n0.844250 0.020258 0.507744 N\n0.979742 0.155750 0.992256 N\n0.155750 0.979742 0.007744 N\n0.979742 0.155750 0.507744 N\n0.155750 0.979742 0.492256 N\n0.233862 0.766138 0.250000 N\n0.766138 0.233862 0.750000 N\n0.209247 0.653204 0.020363 N\n0.653204 0.209247 0.979637 N\n0.209247 0.653204 0.479637 N\n0.653204 0.209247 0.520363 N\n0.790753 0.346796 0.979637 N\n0.346796 0.790753 0.020363 N\n0.790753 0.346796 0.520363 N\n0.346796 0.790753 0.479637 N\n0.142051 0.592618 0.750000 N\n0.592618 0.142051 0.250000 N\n0.857949 0.407382 0.250000 N\n0.407382 0.857949 0.750000 N\n0.034619 0.609675 0.976333 N\n0.609675 0.034619 0.023667 N\n0.034619 0.609675 0.523667 N\n0.609675 0.034619 0.476333 N\n0.965381 0.390325 0.023667 N\n0.390325 0.965381 0.976333 N\n0.965381 0.390325 0.476333 N\n0.390325 0.965381 0.523667 N\n0.875681 0.516304 0.013831 N\n0.516304 0.875681 0.986169 N\n0.875681 0.516304 0.486169 N\n0.516304 0.875681 0.513831 N\n0.124319 0.483696 0.986169 N\n0.483696 0.124319 0.013831 N\n0.124319 0.483696 0.513831 N\n0.483696 0.124319 0.486169 N\n0.921303 0.596754 0.750000 N\n0.596754 0.921303 0.250000 N\n0.078697 0.403246 0.250000 N\n0.403246 0.078697 0.750000 N\n0.902221 0.696007 0.991748 N\n0.696007 0.902221 0.008252 N\n0.902221 0.696007 0.508252 N\n0.696007 0.902221 0.491748 N\n0.097779 0.303993 0.008252 N\n0.303993 0.097779 0.991748 N\n0.097779 0.303993 0.491748 N\n0.303993 0.097779 0.508252 N\n0.919347 0.790001 0.250000 N\n0.790001 0.919347 0.750000 N\n0.080653 0.209999 0.750000 N\n0.209999 0.080653 0.250000 N\n0.852607 0.852607 0.000000 N\n0.852607 0.852607 0.500000 N\n0.147393 0.147393 0.000000 N\n0.147393 0.147393 0.500000 N\n",
            "nsites": 96,
            "nelements": 2,
            "elements": [
                "Cr",
                "N"
            ],
            "chemical_system": "Cr-N",
            "density": 1.7432495569044233,
            "density_atomic": 0.03936317892917961,
            "volume": 2438.8274171839303,
            "volume_molar": 15.298918745446743,
            "formula_full": "Cr32 N64",
            "formula_reduced": "CrN2",
            "formula_anonymous": "AB2",
            "energy": -851.3991873800001,
            "energy_per_atom": -8.868741535208335,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -828.29518738,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.8916916,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:29.737000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-1196391",
            "created_at": "2022-09-04T14:47:38.716222Z",
            "structure_string": "Er18 C18 O72\n1.0\n5.991910 -10.378292 0.000000\n5.991910 10.378292 0.000000\n0.000000 0.000000 9.599185\nEr C O\n18 18 72\ndirect\n0.435779 0.215430 0.738728 Er\n0.779652 0.564221 0.738728 Er\n0.784570 0.220348 0.738728 Er\n0.435779 0.215430 0.261272 Er\n0.779652 0.564221 0.261272 Er\n0.784570 0.220348 0.261272 Er\n0.103485 0.545237 0.757484 Er\n0.441751 0.896515 0.757484 Er\n0.454763 0.558249 0.757484 Er\n0.103485 0.545237 0.242516 Er\n0.441751 0.896515 0.242516 Er\n0.454763 0.558249 0.242516 Er\n0.123716 0.232267 0.757255 Er\n0.108551 0.876284 0.757255 Er\n0.767733 0.891449 0.757255 Er\n0.123716 0.232267 0.242745 Er\n0.108551 0.876284 0.242745 Er\n0.767733 0.891449 0.242745 Er\n0.157130 0.680485 0.500000 C\n0.523355 0.842870 0.500000 C\n0.319515 0.476645 0.500000 C\n0.553602 0.130141 0.500000 C\n0.576538 0.446398 0.500000 C\n0.869859 0.423462 0.500000 C\n0.198418 0.174934 0.500000 C\n0.976516 0.801582 0.500000 C\n0.825066 0.023484 0.500000 C\n0.246144 0.462812 0.000000 C\n0.216668 0.753856 0.000000 C\n0.537188 0.783332 0.000000 C\n0.892268 0.097124 0.000000 C\n0.204856 0.107732 0.000000 C\n0.902876 0.795144 0.000000 C\n0.484225 0.132785 0.000000 C\n0.648560 0.515775 0.000000 C\n0.867215 0.351440 0.000000 C\n0.151740 0.569159 0.500000 O\n0.417419 0.848260 0.500000 O\n0.430841 0.582581 0.500000 O\n0.157369 0.731020 0.618831 O\n0.573652 0.842631 0.618831 O\n0.268980 0.426348 0.618831 O\n0.157369 0.731020 0.381169 O\n0.573652 0.842631 0.381169 O\n0.268980 0.426348 0.381169 O\n0.492772 0.194300 0.500000 O\n0.701528 0.507228 0.500000 O\n0.805700 0.298472 0.500000 O\n0.516246 0.417178 0.618077 O\n0.900931 0.483754 0.618077 O\n0.582822 0.099069 0.618077 O\n0.516246 0.417178 0.381923 O\n0.900931 0.483754 0.381923 O\n0.582822 0.099069 0.381923 O\n0.091793 0.177728 0.500000 O\n0.085935 0.908207 0.500000 O\n0.822272 0.914065 0.500000 O\n0.250702 0.176254 0.617816 O\n0.925552 0.749298 0.617816 O\n0.823746 0.074448 0.617816 O\n0.250702 0.176254 0.382184 O\n0.925552 0.749298 0.382184 O\n0.823746 0.074448 0.382184 O\n0.162832 0.629927 0.000000 O\n0.467095 0.837168 0.000000 O\n0.370073 0.532905 0.000000 O\n0.184336 0.427538 0.882881 O\n0.243202 0.815664 0.882881 O\n0.572462 0.756798 0.882881 O\n0.184336 0.427538 0.117119 O\n0.243202 0.815664 0.117119 O\n0.572462 0.756798 0.117119 O\n0.147784 0.175824 0.000000 O\n0.028040 0.852216 0.000000 O\n0.824176 0.971960 0.000000 O\n0.924872 0.157385 0.881945 O\n0.232513 0.075128 0.881945 O\n0.842615 0.767487 0.881945 O\n0.924872 0.157385 0.118055 O\n0.232513 0.075128 0.118055 O\n0.842615 0.767487 0.118055 O\n0.484348 0.241079 0.000000 O\n0.756732 0.515652 0.000000 O\n0.758921 0.243268 0.000000 O\n0.482565 0.080618 0.882114 O\n0.598054 0.517435 0.882114 O\n0.919382 0.401946 0.882114 O\n0.482565 0.080618 0.117886 O\n0.598054 0.517435 0.117886 O\n0.919382 0.401946 0.117886 O\n0.666667 0.333333 0.758415 O\n0.666667 0.333333 0.241585 O\n0.333333 0.666667 0.748983 O\n0.333333 0.666667 0.251017 O\n0.000000 0.000000 0.742717 O\n0.000000 0.000000 0.257283 O\n0.990620 0.652511 0.810046 O\n0.661892 0.009380 0.810046 O\n0.347489 0.338108 0.810046 O\n0.990620 0.652511 0.189954 O\n0.661892 0.009380 0.189954 O\n0.347489 0.338108 0.189954 O\n0.008558 0.329699 0.691011 O\n0.321141 0.991442 0.691011 O\n0.670301 0.678859 0.691011 O\n0.008558 0.329699 0.308989 O\n0.321141 0.991442 0.308989 O\n0.670301 0.678859 0.308989 O\n",
            "nsites": 108,
            "nelements": 3,
            "elements": [
                "Er",
                "C",
                "O"
            ],
            "chemical_system": "C-Er-O",
            "density": 6.090456041523099,
            "density_atomic": 0.09046242611477867,
            "volume": 1193.8658362198871,
            "volume_molar": 6.657063068769692,
            "formula_full": "Er18 C18 O72",
            "formula_reduced": "ErCO4",
            "formula_anonymous": "ABC4",
            "energy": -877.4754122700001,
            "energy_per_atom": -8.124772335833335,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -828.01141227,
            "band_gap": 0.1383000000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 18.0011664,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:12.875000Z",
            "spacegroup": 174
        }
    ]
}