{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=48","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=46","results":[{"id":"mp-1188818","created_at":"2022-09-04T14:43:52.428010Z","structure_string":"Na1 Au1 I4 O12\n1.0\n5.690285 0.018832 -0.527611\n-2.712459 6.366420 -1.951468\n-0.031555 -0.021820 8.292547\nNa Au I O\n1 1 4 12\ndirect\n0.680139 0.109597 0.176555 Na\n0.925814 0.121156 0.641688 Au\n0.321527 0.463475 0.025382 I\n0.019276 0.823496 0.872324 I\n0.012133 0.749780 0.336112 I\n0.396504 0.419428 0.505757 I\n0.331907 0.728634 0.055614 O\n0.172440 0.424339 0.206345 O\n0.999996 0.342448 0.869862 O\n0.871482 0.843292 0.057812 O\n0.293093 0.075804 0.942974 O\n0.781459 0.897804 0.749683 O\n0.809376 0.910061 0.405473 O\n0.720876 0.507609 0.263094 O\n0.148563 0.760217 0.546474 O\n0.047510 0.341005 0.526555 O\n0.538888 0.459419 0.725815 O\n0.393457 0.162487 0.394742 O\n","nsites":18,"nelements":4,"elements":["Na","Au","I","O"],"chemical_system":"Au-I-Na-O","density":5.082177746641524,"density_atomic":0.059908696688347626,"volume":300.45721230822636,"volume_molar":10.052197915985243,"formula_full":"Na1 Au1 I4 O12","formula_reduced":"NaAu(IO3)4","formula_anonymous":"ABC4D12","energy":-86.10728432,"energy_per_atom":-4.783738017777778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-77.86328432,"band_gap":2.1042,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008,"is_theoretical":false,"updated_at":"2021-11-28T01:36:31.053000Z","spacegroup":1},{"id":"mp-1196607","created_at":"2022-09-04T14:43:52.421909Z","structure_string":"Na2 In2 I8 O24\n1.0\n5.084520 0.000000 0.000000\n0.000000 7.315483 0.000000\n0.000000 3.080431 15.536806\nNa In I O\n2 2 8 24\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.000000 In\n0.000000 0.000000 0.500000 In\n0.905942 0.667089 0.163674 I\n0.405942 0.332911 0.336326 I\n0.094058 0.332911 0.836326 I\n0.594058 0.667089 0.663674 I\n0.992234 0.181137 0.137319 I\n0.492234 0.818863 0.362681 I\n0.007766 0.818863 0.862681 I\n0.507766 0.181137 0.637319 I\n0.672179 0.744335 0.072841 O\n0.172179 0.255665 0.427159 O\n0.327821 0.255665 0.927159 O\n0.827821 0.744335 0.572841 O\n0.802197 0.830824 0.231543 O\n0.302197 0.169176 0.268457 O\n0.197803 0.169176 0.768457 O\n0.697803 0.830824 0.731543 O\n0.726591 0.451144 0.206652 O\n0.226591 0.548856 0.293348 O\n0.273409 0.548856 0.793348 O\n0.773409 0.451144 0.706652 O\n0.739586 0.198748 0.050260 O\n0.239586 0.801252 0.449740 O\n0.260414 0.801252 0.949740 O\n0.760414 0.198748 0.550260 O\n0.208398 0.002750 0.103556 O\n0.708398 0.997250 0.396444 O\n0.791602 0.997250 0.896444 O\n0.291602 0.002750 0.603556 O\n0.153898 0.397458 0.091198 O\n0.653898 0.602542 0.408802 O\n0.846102 0.602542 0.908802 O\n0.346102 0.397458 0.591198 O\n","nsites":36,"nelements":4,"elements":["Na","In","I","O"],"chemical_system":"I-In-Na-O","density":4.812457525080687,"density_atomic":0.062294225753543216,"volume":577.90267981543,"volume_molar":9.667253565082586,"formula_full":"Na2 In2 I8 O24","formula_reduced":"NaIn(IO3)4","formula_anonymous":"ABC4D12","energy":-180.09228972,"energy_per_atom":-5.002563603333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-163.60428972,"band_gap":3.0219,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.003344,"is_theoretical":false,"updated_at":"2021-11-28T01:36:22.383000Z","spacegroup":14},{"id":"mp-14345","created_at":"2022-09-04T14:43:52.195214Z","structure_string":"Ba2 Zn2 P4 O14\n1.0\n5.380611 0.000000 0.000000\n-0.530062 7.575814 0.000000\n-0.418070 -1.727020 7.476882\nBa Zn P O\n2 2 4 14\ndirect\n0.800166 0.720254 0.565510 Ba\n0.199834 0.279746 0.434490 Ba\n0.797770 0.889602 0.106074 Zn\n0.202230 0.110398 0.893926 Zn\n0.704724 0.305588 0.103867 P\n0.295276 0.694412 0.896133 P\n0.298300 0.767597 0.281820 P\n0.701700 0.232403 0.718180 P\n0.788722 0.466361 0.252297 O\n0.211278 0.533639 0.747703 O\n0.569975 0.768428 0.894063 O\n0.430025 0.231572 0.105937 O\n0.295467 0.649947 0.418395 O\n0.704533 0.350053 0.581605 O\n0.731502 0.367613 0.915782 O\n0.268498 0.632387 0.084218 O\n0.452812 0.115367 0.703193 O\n0.547188 0.884633 0.296807 O\n0.927785 0.115423 0.704003 O\n0.072215 0.884577 0.295997 O\n0.115239 0.848870 0.902646 O\n0.884761 0.151130 0.097354 O\n","nsites":22,"nelements":4,"elements":["Ba","Zn","P","O"],"chemical_system":"Ba-O-P-Zn","density":4.104586857499493,"density_atomic":0.07218405172845425,"volume":304.77646340442004,"volume_molar":8.34275801343821,"formula_full":"Ba2 Zn2 P4 O14","formula_reduced":"BaZnP2O7","formula_anonymous":"ABC2D7","energy":-159.72418421999998,"energy_per_atom":-7.2601901918181815,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-150.10618422,"band_gap":4.3419,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0011131,"is_theoretical":false,"updated_at":"2021-11-28T01:36:22.716000Z","spacegroup":2},{"id":"mp-755492","created_at":"2022-09-04T14:43:52.564584Z","structure_string":"Na2 Cu2 P4 O14\n1.0\n2.788719 7.590272 0.000000\n-2.788719 7.590272 0.000000\n0.000000 3.493560 7.333970\nNa Cu P O\n2 2 4 14\ndirect\n0.382305 0.085230 0.699552 Na\n0.085230 0.382305 0.199552 Na\n0.999561 0.999016 0.000958 Cu\n0.999016 0.999561 0.500958 Cu\n0.757778 0.444706 0.660642 P\n0.444706 0.757778 0.160642 P\n0.560765 0.236446 0.840479 P\n0.236446 0.560765 0.340479 P\n0.939626 0.259191 0.808224 O\n0.889421 0.305064 0.495092 O\n0.693398 0.680974 0.098878 O\n0.504375 0.494529 0.751259 O\n0.494529 0.504375 0.251259 O\n0.680974 0.693398 0.598878 O\n0.731068 0.067654 0.687091 O\n0.697489 0.107825 0.005535 O\n0.305064 0.889421 0.995092 O\n0.259191 0.939626 0.308224 O\n0.307901 0.313572 0.403353 O\n0.313572 0.307901 0.903353 O\n0.107825 0.697489 0.505535 O\n0.067654 0.731068 0.187091 O\n","nsites":22,"nelements":4,"elements":["Na","Cu","P","O"],"chemical_system":"Cu-Na-O-P","density":2.786254256257298,"density_atomic":0.07085841950202755,"volume":310.47827702917493,"volume_molar":8.498835850872574,"formula_full":"Na2 Cu2 P4 O14","formula_reduced":"NaCuP2O7","formula_anonymous":"ABC2D7","energy":-150.87982387,"energy_per_atom":-6.858173812272727,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-141.26182387,"band_gap":0.3147999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007047,"is_theoretical":true,"updated_at":"2021-11-28T01:36:24.003000Z","spacegroup":9},{"id":"mp-18182","created_at":"2022-09-04T14:43:52.217467Z","structure_string":"Cs4 Na12 Ti4 O16\n1.0\n6.614750 0.000000 0.000000\n1.548078 8.499647 0.000000\n2.736512 0.983056 11.055788\nCs Na Ti O\n4 12 4 16\ndirect\n0.041240 0.135101 0.626058 Cs\n0.958760 0.864899 0.373942 Cs\n0.032891 0.379857 0.873657 Cs\n0.967109 0.620143 0.126343 Cs\n0.203671 0.166274 0.145087 Na\n0.796329 0.833726 0.854913 Na\n0.504879 0.665840 0.392627 Na\n0.495121 0.334160 0.607373 Na\n0.182510 0.446394 0.396234 Na\n0.539325 0.429674 0.125391 Na\n0.204719 0.942515 0.895884 Na\n0.795281 0.057485 0.104116 Na\n0.570677 0.956172 0.625173 Na\n0.429323 0.043828 0.374827 Na\n0.460675 0.570326 0.874609 Na\n0.817490 0.553606 0.603766 Na\n0.165434 0.715087 0.645294 Ti\n0.834566 0.284913 0.354706 Ti\n0.580170 0.212828 0.862345 Ti\n0.419830 0.787172 0.137655 Ti\n0.347081 0.838145 0.541870 O\n0.652919 0.161855 0.458130 O\n0.429447 0.114412 0.784932 O\n0.570553 0.885588 0.215068 O\n0.181737 0.713757 0.804311 O\n0.818263 0.286243 0.195689 O\n0.817208 0.083607 0.897285 O\n0.182792 0.916393 0.102715 O\n0.669358 0.377284 0.753054 O\n0.330642 0.622716 0.246946 O\n0.586787 0.690230 0.004856 O\n0.413213 0.309770 0.995144 O\n0.887553 0.798280 0.645221 O\n0.798058 0.482145 0.412115 O\n0.112447 0.201720 0.354779 O\n0.201942 0.517855 0.587885 O\n","nsites":36,"nelements":4,"elements":["Cs","Na","Ti","O"],"chemical_system":"Cs-Na-O-Ti","density":3.35254077098204,"density_atomic":0.05791598862565727,"volume":621.5900108808934,"volume_molar":10.398062612596311,"formula_full":"Cs4 Na12 Ti4 O16","formula_reduced":"CsNa3TiO4","formula_anonymous":"ABC3D4","energy":-216.70777307,"energy_per_atom":-6.019660363055555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-205.71577307,"band_gap":3.4808,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0019607,"is_theoretical":false,"updated_at":"2021-11-28T01:36:27.801000Z","spacegroup":2},{"id":"mp-866109","created_at":"2022-09-04T14:43:52.263027Z","structure_string":"Ho1 Nb1 Os2\n1.0\n0.000000 3.282558 3.282558\n3.282558 0.000000 3.282558\n3.282558 3.282558 0.000000\nHo Nb Os\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Os\n0.750000 0.750000 0.750000 Os\n","nsites":4,"nelements":3,"elements":["Ho","Nb","Os"],"chemical_system":"Ho-Nb-Os","density":14.983196514104673,"density_atomic":0.05654481276425934,"volume":70.74035273007937,"volume_molar":10.650209038814706,"formula_full":"Ho1 Nb1 Os2","formula_reduced":"HoNbOs2","formula_anonymous":"ABC2","energy":-37.80360953,"energy_per_atom":-9.4509023825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.80360953,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002107,"is_theoretical":true,"updated_at":"2021-11-28T01:36:21.371000Z","spacegroup":225},{"id":"mp-703297","created_at":"2022-09-04T14:43:52.122695Z","structure_string":"H14 S2 N4 O8\n1.0\n5.588455 0.000000 0.000000\n2.158147 5.183434 0.000000\n2.236836 1.943610 8.174597\nH S N O\n14 2 4 8\ndirect\n0.794955 0.822185 0.965171 H\n0.205045 0.177815 0.034829 H\n0.994840 0.756889 0.106904 H\n0.005160 0.243111 0.893096 H\n0.668583 0.949812 0.132348 H\n0.331417 0.050188 0.867652 H\n0.755212 0.621194 0.149212 H\n0.244788 0.378806 0.850788 H\n0.797359 0.233330 0.431549 H\n0.202641 0.766670 0.568451 H\n0.822722 0.100684 0.636353 H\n0.177278 0.899316 0.363647 H\n0.061194 0.229386 0.505445 H\n0.938806 0.770614 0.494555 H\n0.596905 0.624652 0.725165 S\n0.403095 0.375348 0.274835 S\n0.926204 0.127817 0.518399 N\n0.073796 0.872183 0.481601 N\n0.806171 0.790625 0.087139 N\n0.193829 0.209375 0.912861 N\n0.692851 0.662159 0.545108 O\n0.307149 0.337841 0.454892 O\n0.714215 0.342599 0.810844 O\n0.285785 0.657401 0.189156 O\n0.303582 0.693506 0.753673 O\n0.696418 0.306494 0.246327 O\n0.666527 0.804980 0.788799 O\n0.333473 0.195020 0.211201 O\n","nsites":28,"nelements":4,"elements":["H","S","N","O"],"chemical_system":"H-N-O-S","density":1.8391226977675763,"density_atomic":0.11824488098574437,"volume":236.7967202180675,"volume_molar":5.09293993092693,"formula_full":"H14 S2 N4 O8","formula_reduced":"H7S(NO2)2","formula_anonymous":"AB2C4D7","energy":-158.45250764,"energy_per_atom":-5.65901813,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-151.51250764,"band_gap":5.2916,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0037729,"is_theoretical":false,"updated_at":"2021-11-28T01:36:23.383000Z","spacegroup":2},{"id":"mp-758180","created_at":"2022-09-04T14:43:51.010085Z","structure_string":"Cs4 Si12 H4 O28\n1.0\n4.993215 0.000000 0.000000\n0.000000 10.548351 0.000000\n0.000000 0.000000 14.398657\nCs Si H O\n4 12 4 28\ndirect\n0.030627 0.081235 0.749865 Cs\n0.469373 0.918765 0.249865 Cs\n0.530627 0.418765 0.250135 Cs\n0.969373 0.581235 0.750135 Cs\n0.021156 0.916094 0.007790 Si\n0.025830 0.651304 0.107658 Si\n0.102953 0.203843 0.055845 Si\n0.397047 0.796157 0.555845 Si\n0.474170 0.348696 0.607658 Si\n0.478844 0.083906 0.507790 Si\n0.521156 0.583906 0.992210 Si\n0.525830 0.848696 0.892342 Si\n0.602953 0.296157 0.944155 Si\n0.897047 0.703843 0.444155 Si\n0.974170 0.151304 0.392342 Si\n0.978844 0.416094 0.492210 Si\n0.026820 0.695698 0.286822 H\n0.473180 0.304302 0.786822 H\n0.526820 0.804302 0.713178 H\n0.973180 0.195698 0.213178 H\n0.025867 0.259460 0.156927 O\n0.054352 0.805748 0.086479 O\n0.093163 0.750317 0.528819 O\n0.098710 0.619674 0.212258 O\n0.100722 0.047650 0.059555 O\n0.213780 0.889162 0.918148 O\n0.213880 0.576717 0.030030 O\n0.286120 0.423283 0.530030 O\n0.286220 0.110838 0.418148 O\n0.399278 0.952350 0.559555 O\n0.401290 0.380326 0.712258 O\n0.406837 0.249683 0.028819 O\n0.445648 0.194252 0.586479 O\n0.474133 0.740540 0.656927 O\n0.525867 0.240540 0.843073 O\n0.554352 0.694252 0.913521 O\n0.593163 0.749683 0.471181 O\n0.598710 0.880326 0.787742 O\n0.600722 0.452350 0.940445 O\n0.713780 0.610838 0.081852 O\n0.713880 0.923283 0.969970 O\n0.786120 0.076717 0.469970 O\n0.786220 0.389162 0.581852 O\n0.899278 0.547650 0.440445 O\n0.901290 0.119674 0.287742 O\n0.906837 0.250317 0.971181 O\n0.945648 0.305748 0.413521 O\n0.974133 0.759460 0.343073 O\n","nsites":48,"nelements":4,"elements":["Cs","Si","H","O"],"chemical_system":"Cs-H-O-Si","density":2.891706467939866,"density_atomic":0.06329281504328571,"volume":758.3799198561951,"volume_molar":9.514730472774012,"formula_full":"Cs4 Si12 H4 O28","formula_reduced":"CsSi3HO7","formula_anonymous":"ABC3D7","energy":-360.33909849,"energy_per_atom":-7.5070645518750005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-341.10309849,"band_gap":4.7963000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016468,"is_theoretical":false,"updated_at":"2021-11-28T01:36:18.603000Z","spacegroup":19},{"id":"mp-760396","created_at":"2022-09-04T14:43:50.234180Z","structure_string":"Ta2 Al2 O8\n1.0\n-3.268671 3.268671 2.983785\n3.268671 -3.268671 2.983785\n3.268671 3.268671 -2.983785\nTa Al O\n2 2 8\ndirect\n0.261733 0.761733 0.500000 Ta\n0.011733 0.011733 0.000000 Ta\n0.751385 0.251385 0.500000 Al\n0.501385 0.501385 0.000000 Al\n0.933860 0.740259 0.193601 O\n0.452756 0.253182 0.199574 O\n0.990259 0.296659 0.306399 O\n0.503182 0.803607 0.300426 O\n0.990259 0.683860 0.693601 O\n0.503182 0.202756 0.699574 O\n0.053607 0.253182 0.800426 O\n0.546659 0.740259 0.806399 O\n","nsites":12,"nelements":3,"elements":["Ta","Al","O"],"chemical_system":"Al-O-Ta","density":7.082091225781199,"density_atomic":0.09410469868966681,"volume":127.51754340740122,"volume_molar":6.399404964739835,"formula_full":"Ta2 Al2 O8","formula_reduced":"TaAlO4","formula_anonymous":"ABC4","energy":-110.94898232,"energy_per_atom":-9.245748526666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-105.45298232,"band_gap":2.5859,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:19.127000Z","spacegroup":109},{"id":"mp-560224","created_at":"2022-09-04T14:43:55.198716Z","structure_string":"H24 N4 O8 F4\n1.0\n4.525883 0.000000 0.000000\n0.000000 8.244735 0.000000\n0.000000 0.000000 9.053097\nH N O F\n24 4 8 4\ndirect\n0.280930 0.033192 0.096522 H\n0.087147 0.783687 0.750000 H\n0.587147 0.716313 0.250000 H\n0.280930 0.033192 0.403477 H\n0.464465 0.770299 0.750000 H\n0.756192 0.868961 0.156197 H\n0.719070 0.966808 0.596522 H\n0.780930 0.466808 0.903478 H\n0.219070 0.533192 0.403477 H\n0.412853 0.283687 0.750000 H\n0.256192 0.631039 0.656197 H\n0.535535 0.229701 0.250000 H\n0.243808 0.131039 0.843803 H\n0.243808 0.131039 0.656197 H\n0.743808 0.368961 0.343803 H\n0.743808 0.368961 0.156197 H\n0.256192 0.631039 0.843803 H\n0.780930 0.466808 0.596522 H\n0.035535 0.270299 0.750000 H\n0.912853 0.216313 0.250000 H\n0.219070 0.533192 0.096522 H\n0.719070 0.966808 0.903478 H\n0.964465 0.729701 0.250000 H\n0.756192 0.868961 0.343803 H\n0.768057 0.795881 0.250000 N\n0.231943 0.204119 0.750000 N\n0.731943 0.295881 0.250000 N\n0.268057 0.704119 0.750000 N\n0.161882 0.488060 0.995783 O\n0.838118 0.511940 0.495783 O\n0.338118 0.988060 0.504217 O\n0.661882 0.011940 0.004217 O\n0.338118 0.988060 0.995783 O\n0.838118 0.511940 0.004217 O\n0.661882 0.011940 0.495783 O\n0.161882 0.488060 0.504217 O\n0.278588 0.603741 0.250000 F\n0.778588 0.896259 0.750000 F\n0.721412 0.396259 0.750000 F\n0.221412 0.103741 0.250000 F\n","nsites":40,"nelements":4,"elements":["H","N","O","F"],"chemical_system":"F-H-N-O","density":1.3970289510007037,"density_atomic":0.1184084766174195,"volume":337.81365272725293,"volume_molar":5.085903418433189,"formula_full":"H24 N4 O8 F4","formula_reduced":"H6NO2F","formula_anonymous":"ABC2D6","energy":-201.64941361,"energy_per_atom":-5.04123534025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-192.86141361,"band_gap":3.5339,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0025104,"is_theoretical":false,"updated_at":"2021-11-28T01:36:23.932000Z","spacegroup":62},{"id":"mp-976029","created_at":"2022-09-04T14:43:51.100412Z","structure_string":"Ho3 Zr1\n1.0\n-2.431263 2.431264 4.848501\n2.431263 -2.431264 4.848501\n2.431264 2.431264 -4.848501\nHo Zr\n3 1\ndirect\n0.750000 0.250000 0.500000 Ho\n0.250000 0.750000 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n0.000000 0.000000 0.000000 Zr\n","nsites":4,"nelements":2,"elements":["Ho","Zr"],"chemical_system":"Ho-Zr","density":8.488406513589505,"density_atomic":0.034892200615903916,"volume":114.6387997716829,"volume_molar":17.25927471956326,"formula_full":"Ho3 Zr1","formula_reduced":"Ho3Zr","formula_anonymous":"AB3","energy":-21.95218881,"energy_per_atom":-5.4880472025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.95218881,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.00205,"is_theoretical":true,"updated_at":"2021-11-28T01:36:24.055000Z","spacegroup":139},{"id":"mp-3092","created_at":"2022-09-04T14:43:53.713523Z","structure_string":"Dy1 B2 Ru3\n1.0\n2.754550 -4.771020 0.000000\n2.754550 4.771020 0.000000\n0.000000 0.000000 3.036716\nDy B Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n","nsites":6,"nelements":3,"elements":["Dy","B","Ru"],"chemical_system":"B-Dy-Ru","density":10.138599243086388,"density_atomic":0.0751718398613619,"volume":79.81712315496992,"volume_molar":8.01116584495807,"formula_full":"Dy1 B2 Ru3","formula_reduced":"DyB2Ru3","formula_anonymous":"AB2C3","energy":-48.62876262,"energy_per_atom":-8.10479377,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.62876262,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002516,"is_theoretical":false,"updated_at":"2021-11-28T01:36:24.131000Z","spacegroup":191}]}