{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=67","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=65","results":[{"id":"mp-757236","created_at":"2022-09-04T14:44:57.697247Z","structure_string":"Li6 Mn1 Ni1 P2 C2 O14\n1.0\n8.515213 0.102122 0.000275\n0.454047 4.978701 0.000006\n0.000212 -0.000006 6.499774\nLi Mn Ni P C O\n6 1 1 2 2 14\ndirect\n0.102368 0.791051 0.249886 Li\n0.271171 0.263783 0.018139 Li\n0.271162 0.263788 0.481754 Li\n0.728753 0.733947 0.517651 Li\n0.728708 0.733996 0.982336 Li\n0.895468 0.208306 0.749993 Li\n0.658717 0.220606 0.250017 Mn\n0.333036 0.792119 0.750113 Ni\n0.407876 0.729416 0.250019 P\n0.586298 0.264769 0.750056 P\n0.043740 0.683425 0.749984 C\n0.963987 0.322587 0.249954 C\n0.071393 0.933197 0.750033 O\n0.107225 0.389937 0.249843 O\n0.166538 0.502632 0.749939 O\n0.307263 0.839756 0.062476 O\n0.307282 0.839824 0.437578 O\n0.422462 0.160072 0.750070 O\n0.422003 0.415089 0.250039 O\n0.563310 0.579536 0.750008 O\n0.576365 0.817144 0.249983 O\n0.691913 0.159679 0.934692 O\n0.691915 0.159580 0.565421 O\n0.844571 0.509983 0.250052 O\n0.901360 0.611568 0.749986 O\n0.935123 0.074211 0.249976 O\n","nsites":26,"nelements":6,"elements":["Li","Mn","Ni","P","C","O"],"chemical_system":"C-Li-Mn-Ni-O-P","density":2.8066592611226433,"density_atomic":0.09445800965648574,"volume":275.2545823753208,"volume_molar":6.375468614996912,"formula_full":"Li6 Mn1 Ni1 P2 C2 O14","formula_reduced":"Li6MnNiP2(CO7)2","formula_anonymous":"ABC2D2E6F14","energy":-186.13889481,"energy_per_atom":-7.159188261923077,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-172.31189481,"band_gap":2.3725,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9998694,"is_theoretical":true,"updated_at":"2021-11-28T01:36:46.317000Z","spacegroup":6},{"id":"mp-695601","created_at":"2022-09-04T14:45:08.232588Z","structure_string":"Na7 Al12 Si12 H6 Cl1 O48\n1.0\n9.228429 0.000000 0.000000\n0.003880 9.382949 0.000000\n0.879838 0.044491 18.481528\nNa Al Si H Cl O\n7 12 12 6 1 48\ndirect\n0.729638 0.299238 0.863306 Na\n0.264632 0.297798 0.133895 Na\n0.732383 0.269082 0.362337 Na\n0.190124 0.754485 0.092111 Na\n0.101415 0.788970 0.580931 Na\n0.811303 0.758624 0.910323 Na\n0.891941 0.790000 0.410450 Na\n0.767682 0.012030 0.737766 Al\n0.761762 0.007131 0.231621 Al\n0.236350 0.006411 0.762009 Al\n0.230668 0.013008 0.262957 Al\n0.498481 0.265640 0.998749 Al\n0.506001 0.260104 0.493645 Al\n0.968944 0.500703 0.632428 Al\n0.979122 0.506778 0.123565 Al\n0.017289 0.505031 0.875864 Al\n0.005738 0.508881 0.372047 Al\n0.497275 0.754424 0.999378 Al\n0.490695 0.743765 0.490720 Al\n0.998901 0.262174 0.753892 Si\n0.992725 0.266323 0.249246 Si\n0.748135 0.507702 0.003995 Si\n0.748108 0.501585 0.499631 Si\n0.248146 0.505992 0.994632 Si\n0.253043 0.507045 0.492790 Si\n0.000639 0.756225 0.751128 Si\n0.001927 0.758529 0.245554 Si\n0.516137 0.007608 0.619792 Si\n0.489026 0.007396 0.880040 Si\n0.484644 0.010112 0.376902 Si\n0.507574 0.008524 0.116941 Si\n0.204069 0.446981 0.608316 H\n0.579044 0.776884 0.601065 H\n0.310213 0.902518 0.663839 H\n0.694925 0.927152 0.839477 H\n0.702058 0.932110 0.339484 H\n0.304907 0.927400 0.163638 H\n0.987493 0.969997 0.497833 Cl\n0.358096 0.994233 0.673031 O\n0.645852 0.012021 0.822039 O\n0.355947 0.014160 0.178175 O\n0.639931 0.003236 0.317730 O\n0.493767 0.157734 0.920723 O\n0.497885 0.166688 0.411076 O\n0.501216 0.132614 0.564142 O\n0.502847 0.160299 0.077574 O\n0.137158 0.158288 0.763028 O\n0.847118 0.174259 0.745321 O\n0.139578 0.170765 0.257039 O\n0.846193 0.169379 0.241325 O\n0.027541 0.361025 0.682834 O\n0.965609 0.356392 0.826550 O\n0.028652 0.362095 0.177388 O\n0.958414 0.359312 0.322403 O\n0.366435 0.382455 0.507677 O\n0.651152 0.371083 0.979377 O\n0.345410 0.369303 0.018574 O\n0.671746 0.349672 0.480636 O\n0.177372 0.477607 0.918170 O\n0.153062 0.484775 0.426300 O\n0.832471 0.490091 0.574242 O\n0.819592 0.479110 0.080468 O\n0.148698 0.505545 0.575359 O\n0.129552 0.528308 0.062506 O\n0.867085 0.534266 0.936435 O\n0.855484 0.549049 0.431005 O\n0.339254 0.656657 0.992831 O\n0.318537 0.669281 0.495268 O\n0.629317 0.630704 0.509517 O\n0.656309 0.658187 0.006726 O\n0.015319 0.664457 0.824354 O\n0.973936 0.665699 0.677081 O\n0.021518 0.664403 0.318353 O\n0.985653 0.669480 0.171471 O\n0.146989 0.853551 0.731373 O\n0.145859 0.861716 0.228801 O\n0.859014 0.861998 0.768611 O\n0.860449 0.862891 0.263525 O\n0.539582 0.867781 0.924202 O\n0.507606 0.841236 0.580539 O\n0.452608 0.871168 0.072683 O\n0.523636 0.876413 0.427513 O\n0.352261 0.985839 0.831335 O\n0.344006 0.987186 0.332080 O\n0.653209 0.993371 0.667485 O\n0.652121 0.984360 0.160128 O\n","nsites":86,"nelements":6,"elements":["Na","Al","Si","H","Cl","O"],"chemical_system":"Al-Cl-H-Na-O-Si","density":1.6925930480642768,"density_atomic":0.05373947824953996,"volume":1600.3132669181844,"volume_molar":11.206176457531116,"formula_full":"Na7 Al12 Si12 H6 Cl1 O48","formula_reduced":"Na7Al12Si12H6ClO48","formula_anonymous":"AB6C7D12E12F48","energy":-628.91257283,"energy_per_atom":-7.312936893372093,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-595.32257283,"band_gap":3.6089,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:47.983000Z","spacegroup":1},{"id":"mp-766092","created_at":"2022-09-04T14:45:29.657301Z","structure_string":"Li2 V2 Cr2 P4 O16 F4\n1.0\n5.166984 0.000000 0.000000\n-2.380778 6.958157 0.000000\n-1.284901 -3.122746 9.871418\nLi V Cr P O F\n2 2 2 4 16 4\ndirect\n0.048843 0.128378 0.305183 Li\n0.951157 0.871622 0.694817 Li\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.506097 0.067135 0.822700 P\n0.995727 0.560297 0.319058 P\n0.004273 0.439703 0.680942 P\n0.493903 0.932865 0.177300 P\n0.718166 0.957822 0.835801 O\n0.190557 0.441346 0.342177 O\n0.636038 0.291357 0.892498 O\n0.356817 0.006425 0.671460 O\n0.141062 0.787533 0.392355 O\n0.866298 0.510182 0.170584 O\n0.250601 0.971607 0.885511 O\n0.740981 0.478323 0.386778 O\n0.259019 0.521677 0.613222 O\n0.749399 0.028393 0.114489 O\n0.133702 0.489818 0.829416 O\n0.858938 0.212467 0.607645 O\n0.643183 0.993575 0.328540 O\n0.363962 0.708643 0.107502 O\n0.809443 0.558654 0.657823 O\n0.281834 0.042178 0.164199 O\n0.859383 0.713695 0.972950 F\n0.344332 0.202626 0.466768 F\n0.655668 0.797374 0.533232 F\n0.140617 0.286305 0.027050 F\n","nsites":30,"nelements":6,"elements":["Li","V","Cr","P","O","F"],"chemical_system":"Cr-F-Li-O-P-V","density":3.161194113046805,"density_atomic":0.08452990327586359,"volume":354.90399062796644,"volume_molar":7.124272626157782,"formula_full":"Li2 V2 Cr2 P4 O16 F4","formula_reduced":"LiVCrP2(O4F)2","formula_anonymous":"ABCD2E2F8","energy":-231.47509429,"energy_per_atom":-7.715836476333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-211.23709429,"band_gap":0.906,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0000034,"is_theoretical":true,"updated_at":"2021-11-28T01:37:03.791000Z","spacegroup":2},{"id":"mp-1218823","created_at":"2022-09-04T14:46:34.646060Z","structure_string":"Sr8 Ca1 Y3 Cu12 Pb8 O32\n1.0\n7.677156 0.000000 0.000000\n-0.070897 7.682236 0.000000\n-3.664982 -3.790627 15.940304\nSr Ca Y Cu Pb O\n8 1 3 12 8 32\ndirect\n0.107253 0.109683 0.218932 Sr\n0.608390 0.611099 0.221364 Sr\n0.391610 0.388901 0.778636 Sr\n0.892747 0.890317 0.781068 Sr\n0.609846 0.109168 0.220835 Sr\n0.109918 0.609125 0.220835 Sr\n0.890082 0.390875 0.779165 Sr\n0.390154 0.890832 0.779165 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.000000 Y\n0.000000 0.500000 0.000000 Y\n0.500000 0.500000 0.000000 Y\n0.301919 0.301681 0.105288 Cu\n0.803466 0.803239 0.105264 Cu\n0.698081 0.698319 0.894712 Cu\n0.196534 0.196761 0.894736 Cu\n0.749990 0.250021 0.499999 Cu\n0.250010 0.749979 0.500001 Cu\n0.301827 0.803644 0.105753 Cu\n0.803074 0.302308 0.105696 Cu\n0.698173 0.196356 0.894247 Cu\n0.196926 0.697692 0.894304 Cu\n0.249945 0.250004 0.499978 Cu\n0.750055 0.749996 0.500022 Cu\n0.445936 0.947186 0.388403 Pb\n0.946028 0.446899 0.388443 Pb\n0.554064 0.052814 0.611597 Pb\n0.053972 0.553101 0.611557 Pb\n0.441535 0.451143 0.388633 Pb\n0.941999 0.951493 0.388654 Pb\n0.558465 0.548857 0.611367 Pb\n0.058001 0.048507 0.611346 Pb\n0.546556 0.794290 0.092161 O\n0.048008 0.304770 0.095534 O\n0.951992 0.695230 0.904466 O\n0.453444 0.205710 0.907839 O\n0.378588 0.372862 0.251723 O\n0.877200 0.871499 0.251794 O\n0.621412 0.627138 0.748277 O\n0.122800 0.128501 0.748206 O\n0.545552 0.297334 0.091429 O\n0.047195 0.790278 0.094732 O\n0.952805 0.209722 0.905268 O\n0.454448 0.702666 0.908571 O\n0.790446 0.047608 0.095416 O\n0.297497 0.545852 0.092191 O\n0.702503 0.454148 0.907809 O\n0.209554 0.952392 0.904584 O\n0.371553 0.876951 0.251390 O\n0.870091 0.378484 0.251434 O\n0.628447 0.123049 0.748610 O\n0.129909 0.621516 0.748566 O\n0.134322 0.209419 0.386867 O\n0.634325 0.709497 0.386996 O\n0.365675 0.290503 0.613004 O\n0.865678 0.790581 0.613133 O\n0.304251 0.047769 0.094968 O\n0.793712 0.546111 0.091518 O\n0.206288 0.453889 0.908482 O\n0.695749 0.952231 0.905032 O\n0.199276 0.640054 0.386070 O\n0.699265 0.140004 0.386068 O\n0.300735 0.859996 0.613932 O\n0.800724 0.359946 0.613930 O\n","nsites":64,"nelements":6,"elements":["Sr","Ca","Y","Cu","Pb","O"],"chemical_system":"Ca-Cu-O-Pb-Sr-Y","density":6.959025091684077,"density_atomic":0.06807620918533046,"volume":940.122852989164,"volume_molar":8.846175238114895,"formula_full":"Sr8 Ca1 Y3 Cu12 Pb8 O32","formula_reduced":"Sr8CaY3Cu12(PbO4)8","formula_anonymous":"AB3C8D8E12F32","energy":-402.13482566,"energy_per_atom":-6.2833566509375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-380.15082566,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1233617,"is_theoretical":true,"updated_at":"2021-11-28T01:37:37.841000Z","spacegroup":2},{"id":"mp-684810","created_at":"2022-09-04T14:44:07.263535Z","structure_string":"Ba1 Sm5 Al3 Si9 N20 O1\n1.0\n6.072953 0.000000 0.000000\n0.008926 9.562625 0.000000\n0.015408 4.702237 8.429942\nBa Sm Al Si N O\n1 5 3 9 20 1\ndirect\n0.000172 0.004796 0.997889 Ba\n0.498766 0.755553 0.996819 Sm\n0.496286 0.330934 0.330517 Sm\n0.501506 0.000309 0.245455 Sm\n0.506146 0.663899 0.672311 Sm\n0.498595 0.244543 0.758088 Sm\n0.986030 0.178220 0.283482 Al\n0.016041 0.718072 0.818736 Al\n0.015441 0.465781 0.716576 Al\n0.741160 0.392972 0.990249 Si\n0.983930 0.527503 0.186162 Si\n0.747640 0.613530 0.395029 Si\n0.984696 0.288682 0.523185 Si\n0.745490 0.990330 0.614804 Si\n0.254487 0.012311 0.604702 Si\n0.018242 0.809775 0.476821 Si\n0.250410 0.604173 0.384252 Si\n0.256959 0.380263 0.014403 Si\n0.997018 0.507701 0.008897 N\n0.498313 0.488069 0.002491 N\n0.785813 0.651506 0.200228 N\n0.244335 0.577398 0.219215 N\n0.771969 0.199137 0.140685 N\n0.263060 0.216846 0.200614 N\n0.905995 0.337016 0.332744 N\n0.244660 0.208185 0.570505 N\n0.001212 0.991948 0.492520 N\n0.786992 0.154823 0.643887 N\n0.500785 0.005552 0.511203 N\n0.208799 0.799522 0.346807 N\n0.756391 0.776656 0.426885 N\n0.225358 0.867744 0.799980 N\n0.498329 0.517008 0.480954 N\n0.738552 0.805488 0.780696 N\n0.104479 0.670287 0.662468 N\n0.997425 0.484984 0.506997 N\n0.737901 0.419952 0.800653 N\n0.223178 0.338610 0.861545 N\n0.507439 0.999920 0.000545 O\n","nsites":39,"nelements":6,"elements":["Ba","Sm","Al","Si","N","O"],"chemical_system":"Al-Ba-N-O-Si-Sm","density":5.152262165094041,"density_atomic":0.07966415890888019,"volume":489.5551592355123,"volume_molar":7.559410458206331,"formula_full":"Ba1 Sm5 Al3 Si9 N20 O1","formula_reduced":"BaSm5Al3Si9N20O","formula_anonymous":"ABC3D5E9F20","energy":-318.20604966,"energy_per_atom":-8.159129478461539,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-310.29904966,"band_gap":2.759999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011622,"is_theoretical":true,"updated_at":"2021-11-28T01:36:30.179000Z","spacegroup":1},{"id":"mp-1193627","created_at":"2022-09-04T14:43:56.757524Z","structure_string":"Na2 Ca2 Be4 B4 O12 F2\n1.0\n4.054857 2.334676 0.000000\n-4.054857 2.334676 0.000000\n0.000000 0.013632 14.384697\nNa Ca Be B O F\n2 2 4 4 12 2\ndirect\n0.113181 0.116562 0.364530 Na\n0.116562 0.113181 0.864530 Na\n0.111559 0.096192 0.612245 Ca\n0.096192 0.111559 0.112245 Ca\n0.749310 0.427390 0.474447 Be\n0.427390 0.749310 0.974447 Be\n0.784043 0.423432 0.248952 Be\n0.423432 0.784043 0.748952 Be\n0.465684 0.771697 0.222151 B\n0.771697 0.465684 0.722151 B\n0.418588 0.775664 0.500492 B\n0.775664 0.418588 0.000492 B\n0.455127 0.501137 0.497095 O\n0.501137 0.455127 0.997095 O\n0.684039 0.084714 0.520789 O\n0.084714 0.684039 0.020789 O\n0.109399 0.743475 0.488166 O\n0.743475 0.109399 0.988166 O\n0.743454 0.737174 0.228263 O\n0.737174 0.743454 0.728263 O\n0.157065 0.497840 0.234498 O\n0.497840 0.157065 0.734498 O\n0.513331 0.080857 0.198858 O\n0.080857 0.513331 0.698858 O\n0.705220 0.330465 0.361112 F\n0.330465 0.705220 0.861112 F\n","nsites":26,"nelements":6,"elements":["Na","Ca","Be","B","O","F"],"chemical_system":"B-Be-Ca-F-Na-O","density":2.654742934934177,"density_atomic":0.09546418566799376,"volume":272.3534466676649,"volume_molar":6.308272278091659,"formula_full":"Na2 Ca2 Be4 B4 O12 F2","formula_reduced":"NaCaBe2B2O6F","formula_anonymous":"ABCD2E2F6","energy":-191.90414273,"energy_per_atom":-7.380928566538461,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-182.73614273,"band_gap":5.0458,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014794,"is_theoretical":false,"updated_at":"2021-11-28T01:36:22.994000Z","spacegroup":9},{"id":"mp-1197055","created_at":"2022-09-04T14:44:10.507878Z","structure_string":"Cd2 H24 C8 I4 N8 O8\n1.0\n-6.706362 0.000000 -4.329453\n6.706362 0.000000 -4.329453\n0.000000 -14.048134 4.329453\nCd H C I N O\n2 24 8 4 8 8\ndirect\n0.806708 0.306708 0.500000 Cd\n0.556708 0.556708 0.000000 Cd\n0.482490 0.996011 0.735211 H\n0.260800 0.747278 0.264789 H\n0.246011 0.232490 0.235211 H\n0.997278 0.010800 0.764789 H\n0.702268 0.062790 0.810871 H\n0.251919 0.891397 0.189129 H\n0.312790 0.452268 0.310871 H\n0.141397 0.001919 0.689129 H\n0.386265 0.628045 0.515249 H\n0.112796 0.871016 0.484751 H\n0.878045 0.136265 0.015249 H\n0.121016 0.862796 0.984751 H\n0.532514 0.800348 0.464645 H\n0.335703 0.067869 0.535355 H\n0.050348 0.282514 0.964645 H\n0.317869 0.085703 0.035355 H\n0.868172 0.211321 0.708081 H\n0.503239 0.160091 0.291919 H\n0.461321 0.618172 0.208081 H\n0.410091 0.253239 0.791919 H\n0.735182 0.665151 0.453172 H\n0.211979 0.282010 0.546828 H\n0.915151 0.485182 0.953172 H\n0.532010 0.961979 0.046828 H\n0.711539 0.146526 0.686091 C\n0.460435 0.025448 0.313909 C\n0.396526 0.461539 0.186091 C\n0.275448 0.210435 0.813909 C\n0.612561 0.592346 0.482123 C\n0.110223 0.130439 0.517877 C\n0.842346 0.362561 0.982123 C\n0.380439 0.860223 0.017877 C\n0.114608 0.583092 0.653731 I\n0.929361 0.460877 0.346269 I\n0.833092 0.864608 0.153731 I\n0.710877 0.679361 0.846269 I\n0.626156 0.071724 0.751030 N\n0.320694 0.875127 0.248970 N\n0.321724 0.376156 0.251030 N\n0.125127 0.070694 0.748970 N\n0.498077 0.676149 0.484832 N\n0.191317 0.013245 0.515168 N\n0.926149 0.248077 0.984832 N\n0.263245 0.941317 0.015168 N\n0.626181 0.146754 0.607189 O\n0.539565 0.018992 0.392811 O\n0.396754 0.376181 0.107189 O\n0.268992 0.289565 0.892811 O\n0.584110 0.442258 0.507170 O\n0.935088 0.076939 0.492830 O\n0.692258 0.334110 0.007170 O\n0.326939 0.685088 0.992830 O\n","nsites":54,"nelements":6,"elements":["Cd","H","C","I","N","O"],"chemical_system":"C-Cd-H-I-N-O","density":2.224370629186535,"density_atomic":0.0661949870151399,"volume":815.7717439788801,"volume_molar":9.097578278280551,"formula_full":"Cd2 H24 C8 I4 N8 O8","formula_reduced":"CdH12C4I2(NO)4","formula_anonymous":"AB2C4D4E4F12","energy":-307.42318478,"energy_per_atom":-5.69302194037037,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-297.52318478,"band_gap":3.3439,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1777172,"is_theoretical":false,"updated_at":"2021-11-28T01:36:33.746000Z","spacegroup":43},{"id":"mp-759884","created_at":"2022-09-04T14:43:52.651442Z","structure_string":"Li2 Mn2 V2 P4 H4 O20\n1.0\n-6.791253 0.000000 0.000000\n3.335121 6.565016 0.000000\n-0.169413 -0.653409 -8.103651\nLi Mn V P H O\n2 2 2 4 4 20\ndirect\n0.244080 0.149362 0.314183 Li\n0.755920 0.850638 0.685817 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.713562 0.229877 0.160951 P\n0.787523 0.772115 0.339355 P\n0.212477 0.227885 0.660645 P\n0.286438 0.770123 0.839049 P\n0.134980 0.346662 0.147876 H\n0.648015 0.336029 0.660797 H\n0.351985 0.663971 0.339203 H\n0.865020 0.653338 0.852124 H\n0.661422 0.354185 0.035256 O\n0.988840 0.885048 0.235274 O\n0.514053 0.128838 0.269793 O\n0.765383 0.068949 0.062845 O\n0.266414 0.071808 0.551760 O\n0.924925 0.379786 0.265187 O\n0.833558 0.653724 0.472750 O\n0.422619 0.374249 0.765649 O\n0.227562 0.282039 0.100131 O\n0.728601 0.281801 0.584224 O\n0.271399 0.718199 0.415776 O\n0.772438 0.717961 0.899869 O\n0.577381 0.625751 0.234351 O\n0.166442 0.346276 0.527250 O\n0.075075 0.620214 0.734813 O\n0.733586 0.928192 0.448240 O\n0.234617 0.931051 0.937155 O\n0.485947 0.871162 0.730207 O\n0.011160 0.114952 0.764726 O\n0.338578 0.645815 0.964744 O\n","nsites":34,"nelements":6,"elements":["Li","Mn","V","P","H","O"],"chemical_system":"H-Li-Mn-O-P-V","density":3.095681794370782,"density_atomic":0.09410495455131956,"volume":361.2987239843818,"volume_molar":6.399387565418634,"formula_full":"Li2 Mn2 V2 P4 H4 O20","formula_reduced":"LiMnVP2(HO5)2","formula_anonymous":"ABCD2E2F10","energy":-253.70300092,"energy_per_atom":-7.461852968235294,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-233.22700092,"band_gap":0.8496999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0000012,"is_theoretical":true,"updated_at":"2021-11-28T01:36:25.202000Z","spacegroup":2},{"id":"mp-1197380","created_at":"2022-09-04T14:43:22.353129Z","structure_string":"Co4 Hg4 H72 Br16 N24 Cl4\n1.0\n8.070594 0.000000 0.000000\n0.000000 12.294108 0.000000\n0.000000 6.958818 16.240615\nCo Hg H Br N Cl\n4 4 72 16 24 4\ndirect\n0.244773 0.738884 0.506604 Co\n0.744773 0.261116 0.993396 Co\n0.755227 0.261116 0.493396 Co\n0.255227 0.738884 0.006604 Co\n0.752005 0.790932 0.252565 Hg\n0.252005 0.209068 0.247435 Hg\n0.247995 0.209068 0.747435 Hg\n0.747995 0.790932 0.752565 Hg\n0.174117 0.812587 0.620252 H\n0.674117 0.187413 0.879748 H\n0.825883 0.187413 0.379748 H\n0.325883 0.812587 0.120252 H\n0.274161 0.917951 0.544251 H\n0.774161 0.082049 0.955749 H\n0.725839 0.082049 0.455749 H\n0.225839 0.917951 0.044251 H\n0.375740 0.805278 0.613816 H\n0.875740 0.194722 0.886184 H\n0.624260 0.194722 0.386184 H\n0.124260 0.805278 0.113816 H\n0.382996 0.536277 0.575420 H\n0.882996 0.463723 0.924580 H\n0.617004 0.463723 0.424580 H\n0.117004 0.536277 0.075420 H\n0.418675 0.611991 0.633097 H\n0.918675 0.388009 0.866903 H\n0.581325 0.388009 0.366903 H\n0.081325 0.611991 0.133097 H\n0.528834 0.637972 0.548771 H\n0.028834 0.362028 0.951229 H\n0.471166 0.362028 0.451229 H\n0.971166 0.637972 0.048771 H\n0.965111 0.847844 0.469894 H\n0.465111 0.152156 0.030106 H\n0.034889 0.152156 0.530106 H\n0.534889 0.847844 0.969894 H\n0.052179 0.852788 0.384234 H\n0.552179 0.147212 0.115766 H\n0.947821 0.147212 0.615766 H\n0.447821 0.852788 0.884234 H\n0.116926 0.941923 0.427055 H\n0.616926 0.058077 0.072945 H\n0.883074 0.058077 0.572945 H\n0.383074 0.941923 0.927055 H\n0.405791 0.926325 0.421359 H\n0.905791 0.073675 0.078641 H\n0.594209 0.073675 0.578641 H\n0.094209 0.926325 0.921359 H\n0.428410 0.832303 0.377335 H\n0.928410 0.167697 0.122665 H\n0.571590 0.167697 0.622665 H\n0.071590 0.832303 0.877335 H\n0.539655 0.816646 0.458693 H\n0.039655 0.183354 0.041307 H\n0.460345 0.183354 0.541307 H\n0.960345 0.816646 0.958693 H\n0.052943 0.651673 0.633036 H\n0.552943 0.348327 0.866964 H\n0.947057 0.348327 0.366964 H\n0.447057 0.651673 0.133036 H\n0.091127 0.550062 0.596887 H\n0.591127 0.449938 0.903113 H\n0.908873 0.449938 0.403113 H\n0.408873 0.550062 0.096887 H\n0.954175 0.653325 0.549688 H\n0.454175 0.346675 0.950312 H\n0.045825 0.346675 0.450312 H\n0.545825 0.653325 0.049688 H\n0.263094 0.696825 0.375257 H\n0.763094 0.303175 0.124743 H\n0.736906 0.303175 0.624743 H\n0.236906 0.696825 0.875257 H\n0.091115 0.641124 0.425717 H\n0.591115 0.358876 0.074283 H\n0.908885 0.358876 0.574283 H\n0.408885 0.641124 0.925717 H\n0.266400 0.570452 0.456968 H\n0.766400 0.429548 0.043032 H\n0.733600 0.429548 0.543032 H\n0.233600 0.570452 0.956968 H\n0.759084 0.882874 0.064703 Br\n0.259084 0.117126 0.435297 Br\n0.240916 0.117126 0.935297 Br\n0.740916 0.882874 0.564703 Br\n0.755802 0.988100 0.273596 Br\n0.255802 0.011900 0.226404 Br\n0.244198 0.011900 0.726404 Br\n0.744198 0.988100 0.773596 Br\n0.463775 0.680450 0.264534 Br\n0.963775 0.319550 0.235466 Br\n0.536225 0.319550 0.735466 Br\n0.036225 0.680450 0.764534 Br\n0.002417 0.649420 0.261512 Br\n0.502417 0.350580 0.238488 Br\n0.997583 0.350580 0.738488 Br\n0.497583 0.649420 0.761512 Br\n0.269668 0.827648 0.578657 N\n0.769668 0.172352 0.921343 N\n0.730332 0.172352 0.421343 N\n0.230332 0.827648 0.078657 N\n0.410441 0.619713 0.572917 N\n0.910441 0.380287 0.927083 N\n0.589559 0.380287 0.427083 N\n0.089559 0.619713 0.072917 N\n0.077449 0.856355 0.440117 N\n0.577449 0.143645 0.059883 N\n0.922551 0.143645 0.559883 N\n0.422551 0.856355 0.940117 N\n0.422813 0.837837 0.433757 N\n0.922813 0.162163 0.066243 N\n0.577187 0.162163 0.566243 N\n0.077187 0.837837 0.933757 N\n0.068243 0.639195 0.578928 N\n0.568243 0.360805 0.921072 N\n0.931757 0.360805 0.421072 N\n0.431757 0.639195 0.078928 N\n0.215013 0.654271 0.433577 N\n0.715013 0.345729 0.066423 N\n0.784987 0.345729 0.566423 N\n0.284987 0.654271 0.933577 N\n0.754107 0.631390 0.457705 Cl\n0.254107 0.368610 0.042295 Cl\n0.245893 0.368610 0.542295 Cl\n0.745893 0.631390 0.957705 Cl\n","nsites":124,"nelements":6,"elements":["Co","Hg","H","Br","N","Cl"],"chemical_system":"Br-Cl-Co-H-Hg-N","density":2.9545213580333214,"density_atomic":0.07695142913539148,"volume":1611.4060699487381,"volume_molar":7.8258985280239575,"formula_full":"Co4 Hg4 H72 Br16 N24 Cl4","formula_reduced":"CoHgH18Br4N6Cl","formula_anonymous":"ABCD4E6F18","energy":-587.45718864,"energy_per_atom":-4.737557972903226,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-567.79318864,"band_gap":2.2194,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0996007,"is_theoretical":false,"updated_at":"2021-11-28T01:36:16.712000Z","spacegroup":14},{"id":"mp-1374975","created_at":"2022-09-04T14:43:23.473664Z","structure_string":"Li3 V1 Cr1 P2 H2 O10\n1.0\n5.228243 0.000000 0.000000\n-0.477975 5.555699 0.000000\n-2.201985 -2.886469 6.599769\nLi V Cr P H O\n3 1 1 2 2 10\ndirect\n0.234889 0.603683 0.828434 Li\n0.774594 0.407751 0.260543 Li\n0.480144 0.149343 0.156326 Li\n0.989439 0.996098 0.507179 V\n0.002830 0.000199 0.991530 Cr\n0.343285 0.638123 0.222443 P\n0.662301 0.366764 0.755268 P\n0.664884 0.910920 0.348030 H\n0.353334 0.061843 0.663159 H\n0.163458 0.951035 0.730011 O\n0.280150 0.787979 0.366026 O\n0.662016 0.654775 0.666205 O\n0.649037 0.752125 0.066942 O\n0.134844 0.665940 0.111967 O\n0.864056 0.324122 0.871826 O\n0.360417 0.239815 0.928398 O\n0.330938 0.345973 0.324449 O\n0.716369 0.239324 0.597753 O\n0.828930 0.055112 0.261642 O\n","nsites":19,"nelements":6,"elements":["Li","V","Cr","P","H","O"],"chemical_system":"Cr-H-Li-O-P-V","density":3.0119868232031677,"density_atomic":0.09911294781112266,"volume":191.70048333349823,"volume_molar":6.076038391549265,"formula_full":"Li3 V1 Cr1 P2 H2 O10","formula_reduced":"Li3VCrP2(HO5)2","formula_anonymous":"ABC2D2E3F10","energy":-90.15986819,"energy_per_atom":-4.745256220526316,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-79.23286819,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.1183585,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.559000Z","spacegroup":1},{"id":"mp-1173694","created_at":"2022-09-04T14:43:52.474050Z","structure_string":"Na3 Ca3 Mg3 Cr3 Si12 O36\n1.0\n4.691221 5.392746 0.000000\n-4.691221 5.392746 0.000000\n0.000000 4.375638 15.295935\nNa Ca Mg Cr Si O\n3 3 3 3 12 36\ndirect\n0.880478 0.818168 0.160036 Na\n0.468266 0.531734 0.000000 Na\n0.181832 0.119522 0.839964 Na\n0.806315 0.837465 0.667683 Ca\n0.514529 0.485471 0.500000 Ca\n0.162535 0.193685 0.332317 Ca\n0.185159 0.459729 0.670131 Mg\n0.148554 0.851446 0.500000 Mg\n0.540271 0.814841 0.329869 Mg\n0.515799 0.162333 0.166419 Cr\n0.824514 0.175486 0.000000 Cr\n0.837667 0.484201 0.833581 Cr\n0.339373 0.799947 0.657391 Si\n0.861220 0.304884 0.673577 Si\n0.470330 0.016873 0.490693 Si\n0.983127 0.529670 0.509307 Si\n0.695116 0.138780 0.326423 Si\n0.200053 0.660627 0.342609 Si\n0.797008 0.366235 0.160675 Si\n0.321612 0.870688 0.174666 Si\n0.019138 0.466350 0.993817 Si\n0.533650 0.980862 0.006183 Si\n0.129312 0.678388 0.825334 Si\n0.633765 0.202992 0.839325 Si\n0.683368 0.172684 0.733885 O\n0.070835 0.206287 0.687085 O\n0.130925 0.824485 0.628474 O\n0.843840 0.513053 0.705836 O\n0.436889 0.586058 0.643384 O\n0.484312 0.970418 0.599221 O\n0.837666 0.359061 0.566548 O\n0.885304 0.740787 0.526060 O\n0.494571 0.808866 0.460541 O\n0.191134 0.505429 0.539459 O\n0.259213 0.114696 0.473940 O\n0.640939 0.162334 0.433452 O\n0.029582 0.515688 0.400779 O\n0.413942 0.563111 0.356616 O\n0.486947 0.156160 0.294164 O\n0.175515 0.869075 0.371526 O\n0.793713 0.929165 0.312915 O\n0.827316 0.316632 0.266115 O\n0.185914 0.702382 0.234786 O\n0.240086 0.092598 0.188460 O\n0.810919 0.154020 0.130004 O\n0.535368 0.862701 0.199736 O\n0.576192 0.440953 0.149396 O\n0.966936 0.498218 0.098620 O\n0.362717 0.850430 0.068196 O\n0.756027 0.902517 0.014697 O\n0.808158 0.474129 0.963588 O\n0.525871 0.191842 0.036412 O\n0.097483 0.243973 0.985303 O\n0.149570 0.637283 0.931804 O\n0.501782 0.033064 0.901380 O\n0.559047 0.423808 0.850604 O\n0.137299 0.464632 0.800264 O\n0.845980 0.189081 0.869996 O\n0.907402 0.759914 0.811540 O\n0.297618 0.814086 0.765214 O\n","nsites":60,"nelements":6,"elements":["Na","Ca","Mg","Cr","Si","O"],"chemical_system":"Ca-Cr-Mg-Na-O-Si","density":2.856021610221651,"density_atomic":0.07752635530019329,"volume":773.9303591362099,"volume_molar":7.767862601926013,"formula_full":"Na3 Ca3 Mg3 Cr3 Si12 O36","formula_reduced":"NaCaMgCr(SiO3)4","formula_anonymous":"ABCDE4F12","energy":-461.68117892,"energy_per_atom":-7.694686315333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-430.95217892,"band_gap":3.0293,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.9991165,"is_theoretical":true,"updated_at":"2021-11-28T01:36:20.741000Z","spacegroup":5},{"id":"mp-1218732","created_at":"2022-09-04T14:43:14.918471Z","structure_string":"Sr14 Cu4 Hg2 Bi2 Sb2 O30\n1.0\n7.739152 0.000000 0.000000\n0.000000 9.022166 0.000000\n0.000000 0.000000 11.788465\nSr Cu Hg Bi Sb O\n14 4 2 2 2 30\ndirect\n0.500000 0.289893 0.000000 Sr\n0.000000 0.289893 0.000000 Sr\n0.500000 0.710107 0.000000 Sr\n0.000000 0.710107 0.000000 Sr\n0.492917 0.292746 0.656944 Sr\n0.507083 0.292746 0.343056 Sr\n0.007083 0.292746 0.656944 Sr\n0.992917 0.292746 0.343056 Sr\n0.507083 0.707254 0.343056 Sr\n0.492917 0.707254 0.656944 Sr\n0.992917 0.707254 0.343056 Sr\n0.007083 0.707254 0.656944 Sr\n0.750000 0.000000 0.840835 Sr\n0.250000 0.000000 0.159165 Sr\n0.250000 0.500000 0.826359 Cu\n0.750000 0.500000 0.173641 Cu\n0.750000 0.500000 0.499597 Cu\n0.250000 0.500000 0.500403 Cu\n0.750000 0.000000 0.502009 Hg\n0.250000 0.000000 0.497991 Hg\n0.250000 0.000000 0.820177 Bi\n0.750000 0.000000 0.179823 Bi\n0.750000 0.500000 0.832483 Sb\n0.250000 0.500000 0.167517 Sb\n0.750000 0.273807 0.836278 O\n0.250000 0.273807 0.163722 O\n0.250000 0.726193 0.163722 O\n0.750000 0.726193 0.836278 O\n0.750000 0.500000 0.001049 O\n0.250000 0.500000 0.998951 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.000000 O\n0.750000 0.227014 0.504007 O\n0.250000 0.227014 0.495993 O\n0.250000 0.772986 0.495993 O\n0.750000 0.772986 0.504007 O\n0.750000 0.500000 0.665252 O\n0.250000 0.500000 0.334748 O\n0.494533 0.500000 0.830796 O\n0.505467 0.500000 0.169204 O\n0.005467 0.500000 0.830796 O\n0.994533 0.500000 0.169204 O\n0.250000 0.500000 0.660962 O\n0.750000 0.500000 0.339038 O\n0.471464 0.000000 0.710739 O\n0.528536 0.000000 0.289261 O\n0.028536 0.000000 0.710739 O\n0.971464 0.000000 0.289261 O\n0.250000 0.237163 0.834123 O\n0.750000 0.237163 0.165877 O\n0.750000 0.762837 0.165877 O\n0.250000 0.762837 0.834123 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":54,"nelements":6,"elements":["Sr","Cu","Hg","Bi","Sb","O"],"chemical_system":"Bi-Cu-Hg-O-Sb-Sr","density":6.099561279347179,"density_atomic":0.06560430084043765,"volume":823.1167668616489,"volume_molar":9.179490799920284,"formula_full":"Sr14 Cu4 Hg2 Bi2 Sb2 O30","formula_reduced":"Sr7Cu2HgBiSbO15","formula_anonymous":"ABCD2E7F15","energy":-331.15947573,"energy_per_atom":-6.1325828838888885,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-310.54947573,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0047795,"is_theoretical":true,"updated_at":"2021-11-28T01:36:09.668000Z","spacegroup":51}]}