{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-spacegroup&page=10135","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-spacegroup&page=10133","results":[{"id":"mp-625526","created_at":"2022-09-04T14:39:48.434714Z","structure_string":"Te2 H4 O8\n1.0\n4.970406 0.000000 0.000000\n0.000000 5.265657 0.000000\n0.000000 2.255303 5.504935\nTe H O\n2 4 8\ndirect\n0.749459 0.474906 0.998006 Te\n0.250541 0.974906 0.998006 Te\n0.926661 0.494919 0.379159 H\n0.485535 0.248069 0.619191 H\n0.514465 0.748069 0.619191 H\n0.073339 0.994919 0.379159 H\n0.881219 0.339402 0.330740 O\n0.383878 0.073642 0.667876 O\n0.616122 0.573642 0.667876 O\n0.118781 0.839402 0.330740 O\n0.062309 0.325656 0.888008 O\n0.567962 0.121146 0.105094 O\n0.432038 0.621146 0.105094 O\n0.937691 0.825656 0.888008 O\n","nsites":14,"nelements":3,"elements":["Te","H","O"],"chemical_system":"H-O-Te","density":4.462909269483395,"density_atomic":0.09716982247546993,"volume":144.07765336336016,"volume_molar":6.197542206604587,"formula_full":"Te2 H4 O8","formula_reduced":"Te(HO2)2","formula_anonymous":"AB2C4","energy":-77.63809963,"energy_per_atom":-5.545578545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.14209963,"band_gap":1.7198000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0007705,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.748000Z","spacegroup":7},{"id":"mp-1204230","created_at":"2022-09-04T14:39:48.728886Z","structure_string":"Sr64 Ga32 O112\n1.0\n13.180000 0.000000 -0.157675\n0.000000 15.929532 0.000000\n-0.011654 0.000000 16.000319\nSr Ga O\n64 32 112\ndirect\n0.430606 0.128934 0.329416 Sr\n0.430606 0.871066 0.829416 Sr\n0.446741 0.126888 0.083695 Sr\n0.446741 0.873112 0.583695 Sr\n0.599719 0.988087 0.218245 Sr\n0.599719 0.011913 0.718245 Sr\n0.749331 0.115270 0.082694 Sr\n0.749331 0.884730 0.582694 Sr\n0.758189 0.357495 0.054112 Sr\n0.758189 0.642505 0.554112 Sr\n0.141668 0.109087 0.081145 Sr\n0.141668 0.890913 0.581145 Sr\n0.443186 0.370448 0.332904 Sr\n0.443186 0.629552 0.832904 Sr\n0.102355 0.122928 0.332100 Sr\n0.102355 0.877072 0.832100 Sr\n0.432111 0.384368 0.819853 Sr\n0.432111 0.615632 0.319853 Sr\n0.592646 0.479048 0.202603 Sr\n0.592646 0.520952 0.702603 Sr\n0.084438 0.348821 0.324737 Sr\n0.084438 0.651179 0.824737 Sr\n0.770926 0.620963 0.085923 Sr\n0.770926 0.379037 0.585923 Sr\n0.777932 0.336678 0.333548 Sr\n0.777932 0.663322 0.833548 Sr\n0.937819 0.497390 0.954597 Sr\n0.937819 0.502610 0.454597 Sr\n0.755408 0.402141 0.821788 Sr\n0.755408 0.597859 0.321788 Sr\n0.258590 0.252249 0.942882 Sr\n0.258590 0.747751 0.442882 Sr\n0.749923 0.172505 0.858352 Sr\n0.749923 0.827495 0.358352 Sr\n0.131993 0.370991 0.096773 Sr\n0.131993 0.629009 0.596773 Sr\n0.942651 0.233972 0.153025 Sr\n0.942651 0.766028 0.653025 Sr\n0.947173 0.256927 0.726636 Sr\n0.947173 0.743073 0.226636 Sr\n0.453340 0.869553 0.073309 Sr\n0.453340 0.130447 0.573309 Sr\n0.461041 0.625591 0.075401 Sr\n0.461041 0.374409 0.575401 Sr\n0.089340 0.366789 0.569543 Sr\n0.089340 0.633211 0.069543 Sr\n0.286713 0.252751 0.462039 Sr\n0.286713 0.747249 0.962039 Sr\n0.773240 0.880869 0.059959 Sr\n0.773240 0.119131 0.559959 Sr\n0.114496 0.103651 0.785589 Sr\n0.114496 0.896349 0.285589 Sr\n0.097630 0.432052 0.807531 Sr\n0.097630 0.567948 0.307531 Sr\n0.088206 0.879683 0.063548 Sr\n0.088206 0.120317 0.563548 Sr\n0.429451 0.125349 0.835818 Sr\n0.429451 0.874651 0.335818 Sr\n0.808278 0.888761 0.827225 Sr\n0.808278 0.111239 0.327225 Sr\n0.418469 0.383544 0.058772 Sr\n0.418469 0.616456 0.558772 Sr\n0.943815 0.037732 0.943500 Sr\n0.943815 0.962268 0.443500 Sr\n0.620846 0.245812 0.194052 Ga\n0.620846 0.754188 0.694052 Ga\n0.617432 0.017901 0.951389 Ga\n0.617432 0.982099 0.451389 Ga\n0.575496 0.254109 0.967603 Ga\n0.575496 0.745891 0.467603 Ga\n0.253854 0.265126 0.698289 Ga\n0.253854 0.734874 0.198289 Ga\n0.261142 0.000100 0.441413 Ga\n0.261142 -0.000100 0.941413 Ga\n0.963297 0.255414 0.940790 Ga\n0.963297 0.744586 0.440790 Ga\n0.250198 0.512417 0.962964 Ga\n0.250198 0.487583 0.462964 Ga\n0.274803 0.506707 0.192349 Ga\n0.274803 0.493293 0.692349 Ga\n0.912127 0.479626 0.193891 Ga\n0.912127 0.520374 0.693891 Ga\n0.919790 0.995904 0.189052 Ga\n0.919790 0.004096 0.689052 Ga\n0.611370 0.251663 0.466734 Ga\n0.611370 0.748337 0.966734 Ga\n0.261634 0.234830 0.204738 Ga\n0.261634 0.765170 0.704738 Ga\n0.627822 0.743726 0.198732 Ga\n0.627822 0.256273 0.698732 Ga\n0.291730 0.006712 0.207602 Ga\n0.291730 0.993288 0.707602 Ga\n0.952608 0.763425 0.940518 Ga\n0.952608 0.236575 0.440518 Ga\n0.621036 0.514552 0.955670 Ga\n0.621036 0.485448 0.455670 Ga\n0.763009 0.233518 0.189708 O\n0.763009 0.766482 0.689708 O\n0.602093 0.335758 0.263089 O\n0.602093 0.664242 0.763089 O\n0.559497 0.142632 0.208408 O\n0.559497 0.857368 0.708408 O\n0.577060 0.284264 0.083541 O\n0.577060 0.715736 0.583541 O\n0.759982 0.488302 0.961084 O\n0.759982 0.511698 0.461084 O\n0.118564 0.230218 0.208294 O\n0.118564 0.769782 0.708294 O\n0.120553 0.002621 0.957389 O\n0.120553 0.997379 0.457389 O\n0.597846 0.137212 0.972035 O\n0.597846 0.862788 0.472035 O\n0.600717 0.978135 0.059168 O\n0.600717 0.021865 0.559168 O\n0.270453 0.205307 0.797075 O\n0.270453 0.794693 0.297075 O\n0.533994 0.992365 0.864206 O\n0.533994 0.007635 0.364206 O\n0.100276 0.757835 0.950581 O\n0.100276 0.242165 0.450581 O\n0.082797 0.246650 0.005339 O\n0.082797 0.753350 0.505339 O\n0.445353 0.272932 0.931277 O\n0.445353 0.727068 0.431277 O\n0.170435 0.444461 0.236840 O\n0.170435 0.555539 0.736840 O\n0.951735 0.075495 0.104208 O\n0.951735 0.924505 0.604208 O\n0.974756 0.024095 0.294491 O\n0.974756 0.975905 0.794491 O\n0.264334 0.002560 0.322675 O\n0.264334 0.997440 0.822675 O\n0.305002 0.122359 0.184646 O\n0.305002 0.877641 0.684646 O\n0.946641 0.357752 0.881028 O\n0.946641 0.642248 0.381028 O\n0.417223 0.964862 0.188580 O\n0.417223 0.035138 0.688580 O\n0.959057 0.171963 0.855835 O\n0.959057 0.828037 0.355835 O\n0.119156 0.243855 0.663124 O\n0.119156 0.756145 0.163124 O\n0.311316 0.258875 0.308885 O\n0.311316 0.741125 0.808885 O\n0.767599 0.721536 0.219105 O\n0.767599 0.278464 0.719105 O\n0.932595 0.759636 0.823187 O\n0.932595 0.240364 0.323187 O\n0.777830 0.010670 0.196707 O\n0.777830 0.989330 0.696707 O\n0.971063 0.586406 0.173870 O\n0.971063 0.413594 0.673870 O\n0.114484 0.538035 0.936440 O\n0.114484 0.461965 0.436440 O\n0.926622 0.875204 0.967162 O\n0.926622 0.124796 0.467162 O\n0.407140 0.476356 0.209269 O\n0.407140 0.523644 0.709269 O\n0.852665 0.225414 0.008789 O\n0.852665 0.774586 0.508789 O\n0.722986 0.205803 0.420173 O\n0.722986 0.794197 0.920173 O\n0.680575 0.304486 0.915084 O\n0.680575 0.695514 0.415084 O\n0.936268 0.450283 0.306585 O\n0.936268 0.549717 0.806585 O\n0.770799 0.497180 0.184993 O\n0.770799 0.502820 0.684993 O\n0.565120 0.639693 0.206595 O\n0.565120 0.360307 0.706595 O\n0.477250 0.234189 0.440443 O\n0.477250 0.765811 0.940443 O\n0.346186 0.255354 0.612700 O\n0.346186 0.744646 0.112700 O\n0.944326 0.398483 0.111547 O\n0.944326 0.601517 0.611547 O\n0.943441 0.884254 0.160824 O\n0.943441 0.115746 0.660824 O\n0.312735 0.898149 0.477941 O\n0.312735 0.101851 0.977941 O\n0.295565 0.282548 0.103548 O\n0.295565 0.717452 0.603548 O\n0.624279 0.777794 0.083702 O\n0.624279 0.222206 0.583702 O\n0.255519 0.382060 0.731032 O\n0.255519 0.617940 0.231032 O\n0.564801 0.489186 0.853935 O\n0.564801 0.510814 0.353935 O\n0.591957 0.836062 0.261214 O\n0.591957 0.163938 0.761214 O\n0.341977 0.598047 0.954555 O\n0.341977 0.401953 0.454555 O\n0.283967 0.405655 0.928320 O\n0.283967 0.594345 0.428320 O\n0.555658 0.484746 0.052344 O\n0.555658 0.515254 0.552344 O\n0.236701 0.499841 0.080075 O\n0.236701 0.500159 0.580075 O\n0.170424 0.975233 0.160880 O\n0.170424 0.024767 0.660880 O\n0.630455 0.632299 0.973231 O\n0.630455 0.367701 0.473231 O\n0.758708 0.019571 0.933251 O\n0.758708 0.980429 0.433251 O\n0.911896 0.664823 0.994084 O\n0.911896 0.335177 0.494084 O\n0.314250 0.102225 0.470359 O\n0.314250 0.897775 0.970359 O\n","nsites":208,"nelements":3,"elements":["Sr","Ga","O"],"chemical_system":"Ga-O-Sr","density":4.760645781069295,"density_atomic":0.06191844640883417,"volume":3359.2574113798137,"volume_molar":9.725923548270416,"formula_full":"Sr64 Ga32 O112","formula_reduced":"Sr4Ga2O7","formula_anonymous":"A2B4C7","energy":-1352.44487413,"energy_per_atom":-6.502138817932693,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1275.50087413,"band_gap":2.9684000000000004,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:30.295000Z","spacegroup":7},{"id":"mp-765004","created_at":"2022-09-04T14:39:49.183321Z","structure_string":"Li6 Fe4 C4 O16\n1.0\n5.148828 0.000000 0.000000\n0.000000 6.891095 0.000000\n0.000000 2.116760 10.967735\nLi Fe C O\n6 4 4 16\ndirect\n0.903579 0.873797 0.787162 Li\n0.096421 0.873797 0.287162 Li\n0.574112 0.213225 0.929942 Li\n0.425888 0.213225 0.429942 Li\n0.391889 0.125188 0.715230 Li\n0.608111 0.125188 0.215230 Li\n0.120348 0.490513 0.843656 Fe\n0.604246 0.513162 0.656319 Fe\n0.879652 0.490513 0.343656 Fe\n0.395754 0.513162 0.156319 Fe\n0.445745 0.799683 0.924210 C\n0.554255 0.799683 0.424210 C\n0.921353 0.204163 0.570775 C\n0.078647 0.204163 0.070775 C\n0.552559 0.953121 0.857298 O\n0.447441 0.953121 0.357298 O\n0.213959 0.743912 0.893466 O\n0.786041 0.743912 0.393466 O\n0.439228 0.704675 0.518910 O\n0.877149 0.621117 0.740821 O\n0.560772 0.704675 0.018910 O\n0.122851 0.621117 0.240821 O\n0.393228 0.356909 0.788441 O\n0.944963 0.288282 0.973668 O\n0.606772 0.356909 0.288441 O\n0.055037 0.288282 0.473668 O\n0.669983 0.243185 0.573277 O\n0.330017 0.243185 0.073277 O\n0.035133 0.092596 0.658008 O\n0.964867 0.092596 0.158008 O\n","nsites":30,"nelements":4,"elements":["Li","Fe","C","O"],"chemical_system":"C-Fe-Li-O","density":2.4282476471479693,"density_atomic":0.0770917110363071,"volume":389.1468952592219,"volume_molar":7.811657931893369,"formula_full":"Li6 Fe4 C4 O16","formula_reduced":"Li3Fe2(CO4)2","formula_anonymous":"A2B2C3D8","energy":-219.45461264,"energy_per_atom":-7.3151537546666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-199.43861264,"band_gap":2.0546,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.587000Z","spacegroup":7},{"id":"mp-1519157","created_at":"2022-09-04T14:39:49.209572Z","structure_string":"Sr2 Ca2 La2 Bi2 O12\n1.0\n5.906780 -0.004194 -0.000231\n0.004412 6.128797 -0.004528\n0.012661 0.006124 8.516571\nSr Ca La Bi O\n2 2 2 2 12\ndirect\n0.988102 0.049643 0.248279 Sr\n0.488090 0.450354 0.748270 Sr\n0.501552 0.006160 0.999684 Ca\n0.001542 0.493841 0.499681 Ca\n0.518695 0.560504 0.248721 La\n0.018696 0.939496 0.748704 La\n0.001499 0.497716 0.999887 Bi\n0.501535 0.002236 0.499861 Bi\n0.169547 0.200592 0.936984 O\n0.306876 0.717708 0.563314 O\n0.806885 0.782289 0.063316 O\n0.669551 0.299426 0.436979 O\n0.287863 0.696336 0.944518 O\n0.201005 0.179367 0.561218 O\n0.700981 0.320645 0.061191 O\n0.787827 0.803696 0.444514 O\n0.398041 0.946096 0.260922 O\n0.126816 0.456699 0.236506 O\n0.626844 0.043298 0.736524 O\n0.898055 0.553899 0.760928 O\n","nsites":20,"nelements":5,"elements":["Sr","Ca","La","Bi","O"],"chemical_system":"Bi-Ca-La-O-Sr","density":6.1569416859238215,"density_atomic":0.06486922562347773,"volume":308.31260598186515,"volume_molar":9.28350955652605,"formula_full":"Sr2 Ca2 La2 Bi2 O12","formula_reduced":"SrCaLaBiO6","formula_anonymous":"ABCDE6","energy":-141.24689321,"energy_per_atom":-7.0623446605,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-133.00289321,"band_gap":2.0516,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.994000Z","spacegroup":7},{"id":"mp-769601","created_at":"2022-09-04T14:39:49.249987Z","structure_string":"Li4 V4 S4 O16 F12\n1.0\n10.337984 0.000000 0.000000\n0.000000 7.071486 0.000000\n0.000000 0.078689 8.056651\nLi V S O F\n4 4 4 16 12\ndirect\n0.477180 0.675956 0.578860 Li\n0.522820 0.675956 0.078860 Li\n0.021293 0.808632 0.572458 Li\n0.978707 0.808632 0.072458 Li\n0.743527 0.000657 0.506906 V\n0.256473 0.000657 0.006906 V\n0.756909 0.500158 0.507230 V\n0.243091 0.500158 0.007230 V\n0.251265 0.255502 0.680519 S\n0.748735 0.255502 0.180519 S\n0.748996 0.747295 0.838376 S\n0.251004 0.747295 0.338376 S\n0.312357 0.103561 0.798309 O\n0.687643 0.103561 0.298309 O\n0.151506 0.164527 0.586473 O\n0.848494 0.164527 0.086473 O\n0.354197 0.353969 0.594302 O\n0.645803 0.353969 0.094302 O\n0.187137 0.401001 0.799965 O\n0.812863 0.401001 0.299965 O\n0.689886 0.598706 0.723467 O\n0.310114 0.598706 0.223467 O\n0.856435 0.670167 0.934190 O\n0.143565 0.670167 0.434190 O\n0.642970 0.820043 0.937921 O\n0.357030 0.820043 0.437921 O\n0.806835 0.901127 0.725657 O\n0.193165 0.901127 0.225657 O\n0.083425 0.998853 0.951984 F\n0.916575 0.998853 0.451984 F\n0.748660 0.249636 0.605807 F\n0.251340 0.249636 0.105807 F\n0.414755 0.505842 0.946766 F\n0.585245 0.505842 0.446766 F\n0.918008 0.555057 0.582149 F\n0.081992 0.555057 0.082149 F\n0.247437 0.751680 0.899177 F\n0.752563 0.751680 0.399177 F\n0.581735 0.943682 0.577268 F\n0.418265 0.943682 0.077268 F\n","nsites":40,"nelements":5,"elements":["Li","V","S","O","F"],"chemical_system":"F-Li-O-S-V","density":2.3788528316692976,"density_atomic":0.06791393561407659,"volume":588.9807392005885,"volume_molar":8.867312290986986,"formula_full":"Li4 V4 S4 O16 F12","formula_reduced":"LiVSO4F3","formula_anonymous":"ABCD3E4","energy":-260.07774768,"energy_per_atom":-6.501943692,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-236.74174768,"band_gap":1.3764,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0000196,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.952000Z","spacegroup":7},{"id":"mp-1238362","created_at":"2022-09-04T14:39:49.507111Z","structure_string":"Zn4 Te4 H32 N16\n1.0\n7.216747 0.000000 0.000000\n0.000000 7.928785 0.000000\n0.000000 7.404623 12.264957\nZn Te H N\n4 4 32 16\ndirect\n0.556173 0.289898 0.267189 Zn\n0.443827 0.289898 0.767189 Zn\n0.782700 0.341564 0.505462 Zn\n0.217300 0.341564 0.005462 Zn\n0.423182 0.230352 0.591397 Te\n0.576818 0.230352 0.091397 Te\n0.878579 0.301529 0.340966 Te\n0.121421 0.301529 0.840966 Te\n0.527683 0.662779 0.165877 H\n0.472317 0.662779 0.665877 H\n0.421822 0.905322 0.320381 H\n0.578178 0.905322 0.820381 H\n0.057771 0.143813 0.641569 H\n0.942229 0.143813 0.141569 H\n0.075845 0.529728 0.585297 H\n0.924155 0.529728 0.085297 H\n0.361063 0.587170 0.112035 H\n0.638937 0.587170 0.612035 H\n0.922544 0.970646 0.556672 H\n0.077456 0.970646 0.056672 H\n0.324010 0.589015 0.225517 H\n0.675990 0.589015 0.725517 H\n0.686089 0.689452 0.429454 H\n0.313911 0.689452 0.929454 H\n0.498466 0.997021 0.153328 H\n0.501534 0.997021 0.653328 H\n0.012728 0.835091 0.679378 H\n0.987272 0.835091 0.179378 H\n0.913070 0.876025 0.417993 H\n0.086930 0.876025 0.917993 H\n0.860158 0.074162 0.714943 H\n0.139842 0.074162 0.214943 H\n0.258220 0.136882 0.395163 H\n0.741780 0.136882 0.895163 H\n0.438824 0.998777 0.459569 H\n0.561176 0.998777 0.959569 H\n0.253441 0.816624 0.418343 H\n0.746559 0.816624 0.918343 H\n0.176078 0.575647 0.352976 H\n0.823922 0.575647 0.852976 H\n0.920437 0.106435 0.641646 N\n0.079563 0.106435 0.141646 N\n0.913180 0.676139 0.026273 N\n0.086820 0.676139 0.526273 N\n0.309990 0.941832 0.350317 N\n0.690010 0.941832 0.850317 N\n0.776146 0.609387 0.492638 N\n0.223854 0.609387 0.992638 N\n0.375058 0.073897 0.384392 N\n0.624942 0.073897 0.884392 N\n0.424815 0.560838 0.184916 N\n0.575185 0.560838 0.684916 N\n0.905528 0.928716 0.636951 N\n0.094472 0.928716 0.136951 N\n0.936777 0.725910 0.462308 N\n0.063223 0.725910 0.962308 N\n","nsites":56,"nelements":4,"elements":["Zn","Te","H","N"],"chemical_system":"H-N-Te-Zn","density":2.433301170140181,"density_atomic":0.07979466856765405,"volume":701.8012732582541,"volume_molar":7.547046523407911,"formula_full":"Zn4 Te4 H32 N16","formula_reduced":"ZnTe(H2N)4","formula_anonymous":"ABC4D8","energy":-264.63656683,"energy_per_atom":-4.725652979107143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-258.86056683,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9630211,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.360000Z","spacegroup":7},{"id":"mp-769600","created_at":"2022-09-04T14:39:49.740569Z","structure_string":"Li2 V4 S4 O16 F12\n1.0\n7.181466 0.000000 0.000000\n0.000000 7.952785 0.000000\n0.000000 7.433605 10.235168\nLi V S O F\n2 4 4 16 12\ndirect\n0.891508 0.638528 0.278766 Li\n0.108492 0.638528 0.778766 Li\n0.246307 0.995794 0.000101 V\n0.253774 0.009031 0.489326 V\n0.746226 0.009031 0.989326 V\n0.753693 0.995794 0.500101 V\n0.516013 0.327356 0.500115 S\n0.483987 0.327356 0.000115 S\n0.988387 0.649129 0.513635 S\n0.011613 0.649129 0.013635 S\n0.358015 0.266330 0.445958 O\n0.352165 0.126555 0.067909 O\n0.378946 0.498598 0.892742 O\n0.447018 0.342150 0.599838 O\n0.621054 0.498598 0.392742 O\n0.552982 0.342150 0.099838 O\n0.641985 0.266330 0.945958 O\n0.647835 0.126555 0.567909 O\n0.855586 0.721431 0.058936 O\n0.847678 0.844610 0.444393 O\n0.954090 0.637709 0.908350 O\n0.895568 0.472691 0.623539 O\n0.104432 0.472691 0.123539 O\n0.045910 0.637709 0.408350 O\n0.144414 0.721431 0.558936 O\n0.152322 0.844610 0.944393 O\n0.259003 0.886946 0.665219 F\n0.266402 0.223763 0.838243 F\n0.508942 0.900934 0.499183 F\n0.491058 0.900934 0.999183 F\n0.740997 0.886946 0.165219 F\n0.733598 0.223763 0.338243 F\n0.771966 0.079397 0.830083 F\n0.820309 0.787540 0.664134 F\n0.003594 0.109376 0.488500 F\n0.996406 0.109376 0.988500 F\n0.179691 0.787540 0.164134 F\n0.228034 0.079397 0.330083 F\n","nsites":38,"nelements":5,"elements":["Li","V","S","O","F"],"chemical_system":"F-Li-O-S-V","density":2.3574184126347495,"density_atomic":0.06500642318133157,"volume":584.5576196986143,"volume_molar":9.263916495146328,"formula_full":"Li2 V4 S4 O16 F12","formula_reduced":"LiV2S2(O4F3)2","formula_anonymous":"AB2C2D6E8","energy":-247.06116753,"energy_per_atom":-6.501609671842106,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-223.72516753,"band_gap":0.8804,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9995559,"is_theoretical":true,"updated_at":"2021-11-28T01:34:44.128000Z","spacegroup":7},{"id":"mp-725925","created_at":"2022-09-04T14:39:57.621615Z","structure_string":"Tl8 P4 O16\n1.0\n5.976599 0.000000 0.000000\n0.000000 5.042197 0.000000\n0.000000 2.526943 16.425852\nTl P O\n8 4 16\ndirect\n0.020267 0.391463 0.121977 Tl\n0.979733 0.391463 0.621977 Tl\n0.523127 0.600479 0.995094 Tl\n0.476873 0.600479 0.495094 Tl\n0.560663 0.296288 0.786849 Tl\n0.439337 0.296288 0.286849 Tl\n0.001635 0.782710 0.292181 Tl\n0.998365 0.782710 0.792181 Tl\n0.574980 0.898433 0.150031 P\n0.425020 0.898433 0.650031 P\n0.847317 0.162338 0.415660 P\n0.152683 0.162338 0.915660 P\n0.367394 0.781284 0.111678 O\n0.632606 0.781284 0.611678 O\n0.560028 0.213798 0.140401 O\n0.439972 0.213798 0.640401 O\n0.581779 0.795351 0.244360 O\n0.418221 0.795351 0.744360 O\n0.794717 0.825211 0.108377 O\n0.205283 0.825211 0.608377 O\n0.849573 0.329715 0.326662 O\n0.150427 0.329715 0.826662 O\n0.856741 0.363761 0.477769 O\n0.143259 0.363761 0.977769 O\n0.615083 0.016930 0.417206 O\n0.384917 0.016930 0.917206 O\n0.045283 0.963681 0.424482 O\n0.954717 0.963681 0.924482 O\n","nsites":28,"nelements":3,"elements":["Tl","P","O"],"chemical_system":"O-P-Tl","density":6.759458976840223,"density_atomic":0.056566094980610715,"volume":494.9961635074442,"volume_molar":10.646202043935016,"formula_full":"Tl8 P4 O16","formula_reduced":"Tl2PO4","formula_anonymous":"AB2C4","energy":-170.75071427,"energy_per_atom":-6.098239795357143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-159.75871427,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0031079,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.273000Z","spacegroup":7},{"id":"mp-1229141","created_at":"2022-09-04T14:40:00.059388Z","structure_string":"Ag4 Hg2 Ge2 S8\n1.0\n-0.006798 0.000000 -6.712016\n0.000000 -7.021165 0.000000\n-8.154697 0.000000 -0.008302\nAg Hg Ge S\n4 2 2 8\ndirect\n0.973209 0.188216 0.245304 Ag\n0.473209 0.811784 0.745304 Ag\n0.954776 0.652710 0.499948 Ag\n0.454776 0.347290 0.999948 Ag\n0.971575 0.188752 0.755133 Hg\n0.471575 0.811248 0.255133 Hg\n0.457467 0.317702 0.499674 Ge\n0.957467 0.682298 0.999674 Ge\n0.337670 0.618542 0.503119 S\n0.837670 0.381458 0.003119 S\n0.350700 0.169039 0.269801 S\n0.354823 0.166410 0.730186 S\n0.854823 0.833590 0.230186 S\n0.850700 0.830961 0.769801 S\n0.793780 0.321484 0.496835 S\n0.293780 0.678516 0.996835 S\n","nsites":16,"nelements":4,"elements":["Ag","Hg","Ge","S"],"chemical_system":"Ag-Ge-Hg-S","density":5.334012673413459,"density_atomic":0.04163422063090043,"volume":384.2992556974872,"volume_molar":14.464401323584374,"formula_full":"Ag4 Hg2 Ge2 S8","formula_reduced":"Ag2HgGeS4","formula_anonymous":"ABC2D4","energy":-61.76027702,"energy_per_atom":-3.86001731375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-57.73627702,"band_gap":0.4441000000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.000337,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.133000Z","spacegroup":7},{"id":"mp-1220261","created_at":"2022-09-04T14:39:58.626819Z","structure_string":"Nd2 Co2 Sb2 Pb2 O12\n1.0\n5.824438 0.000000 0.000000\n0.000000 5.646145 0.000000\n0.000000 5.602225 8.032489\nNd Co Sb Pb O\n2 2 2 2 12\ndirect\n0.810161 0.267342 0.248040 Nd\n0.189839 0.267342 0.748040 Nd\n0.735438 0.503733 0.497374 Co\n0.264562 0.503733 0.997374 Co\n0.741040 0.999238 0.001270 Sb\n0.258960 0.999238 0.501270 Sb\n0.728091 0.749870 0.745556 Pb\n0.271909 0.749870 0.245556 Pb\n0.439614 0.654450 0.550249 O\n0.560386 0.654450 0.050249 O\n0.042621 0.312968 0.464492 O\n0.957379 0.312968 0.964492 O\n0.266125 0.857477 0.743251 O\n0.733875 0.857477 0.243251 O\n0.218218 0.176574 0.255688 O\n0.781782 0.176574 0.755688 O\n0.980807 0.746838 0.542383 O\n0.019193 0.746838 0.042383 O\n0.547418 0.231510 0.451696 O\n0.452582 0.231510 0.951696 O\n","nsites":20,"nelements":5,"elements":["Nd","Co","Sb","Pb","O"],"chemical_system":"Co-Nd-O-Pb-Sb","density":7.897207308654022,"density_atomic":0.07571358361626492,"volume":264.15339288871763,"volume_molar":7.953844571037203,"formula_full":"Nd2 Co2 Sb2 Pb2 O12","formula_reduced":"NdCoSbPbO6","formula_anonymous":"ABCDE6","energy":-141.12986953,"energy_per_atom":-7.0564934765,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-129.60986953,"band_gap":1.2922000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9999877,"is_theoretical":true,"updated_at":"2021-11-28T01:34:45.133000Z","spacegroup":7},{"id":"mp-1220893","created_at":"2022-09-04T14:39:59.034109Z","structure_string":"Nb6 Sb2 P12 O48\n1.0\n-0.014978 8.933688 0.000000\n0.000000 0.000000 9.005497\n12.510125 -0.021104 0.000000\nNb Sb P O\n6 2 12 48\ndirect\n0.749903 0.464853 0.117706 Nb\n0.748505 0.034972 0.884975 Nb\n0.752154 0.535043 0.616506 Nb\n0.249903 0.035147 0.617706 Nb\n0.252154 0.964957 0.116506 Nb\n0.248505 0.465028 0.384975 Nb\n0.748543 0.965395 0.378674 Sb\n0.248543 0.534605 0.878674 Sb\n0.538997 0.750875 0.005832 P\n0.970505 0.255334 0.505269 P\n0.470505 0.244666 0.005269 P\n0.038997 0.749125 0.505832 P\n0.611131 0.598230 0.351393 P\n0.901524 0.117385 0.136099 P\n0.877520 0.388618 0.852828 P\n0.601213 0.884168 0.647654 P\n0.401524 0.382615 0.636099 P\n0.111131 0.901770 0.851393 P\n0.101213 0.615832 0.147654 P\n0.377520 0.111382 0.352828 P\n0.928244 0.593505 0.147130 O\n0.546173 0.110984 0.348934 O\n0.574568 0.404544 0.638207 O\n0.940184 0.936505 0.851597 O\n0.046173 0.389016 0.848934 O\n0.428244 0.906495 0.647130 O\n0.440184 0.563495 0.351597 O\n0.074568 0.095456 0.138207 O\n0.957779 0.828168 0.416716 O\n0.573179 0.333878 0.082646 O\n0.569216 0.146933 0.932205 O\n0.929233 0.666162 0.582470 O\n0.073179 0.166122 0.582646 O\n0.457779 0.671832 0.916716 O\n0.429233 0.833838 0.082470 O\n0.069216 0.353067 0.432205 O\n0.682428 0.489964 0.267558 O\n0.824238 0.012237 0.211421 O\n0.810142 0.497853 0.767161 O\n0.661942 0.966954 0.748438 O\n0.324238 0.487763 0.711421 O\n0.182428 0.010036 0.767558 O\n0.161942 0.533046 0.248438 O\n0.310142 0.002147 0.267161 O\n0.679792 0.562598 0.462641 O\n0.848440 0.088928 0.020268 O\n0.816612 0.436803 0.964060 O\n0.672116 0.945856 0.548392 O\n0.348440 0.411072 0.520268 O\n0.179792 0.937402 0.962641 O\n0.172116 0.554144 0.048392 O\n0.316612 0.063197 0.464060 O\n0.630722 0.639658 0.076307 O\n0.871190 0.159994 0.436870 O\n0.874596 0.362305 0.575117 O\n0.656011 0.861097 0.959811 O\n0.371190 0.340006 0.936870 O\n0.130722 0.860342 0.576307 O\n0.156011 0.638903 0.459811 O\n0.374596 0.137695 0.075117 O\n0.632149 0.757830 0.318563 O\n0.868281 0.284284 0.159773 O\n0.817555 0.230215 0.825279 O\n0.635215 0.715381 0.661502 O\n0.368281 0.215716 0.659773 O\n0.132149 0.742170 0.818563 O\n0.135215 0.784619 0.161502 O\n0.317555 0.269785 0.325279 O\n","nsites":68,"nelements":4,"elements":["Nb","Sb","P","O"],"chemical_system":"Nb-O-P-Sb","density":3.2017654173445513,"density_atomic":0.06756317106203755,"volume":1006.4654889801036,"volume_molar":8.91334830105943,"formula_full":"Nb6 Sb2 P12 O48","formula_reduced":"Nb3Sb(PO4)6","formula_anonymous":"AB3C6D24","energy":-558.85898485,"energy_per_atom":-8.218514483088235,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-525.88298485,"band_gap":1.6892,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017733,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.546000Z","spacegroup":7},{"id":"mp-764169","created_at":"2022-09-04T14:39:58.776306Z","structure_string":"Mn12 O14 F10\n1.0\n5.604352 0.000000 0.000000\n0.000000 4.600704 0.000000\n0.000000 0.043952 15.386589\nMn O F\n12 14 10\ndirect\n0.854120 0.945173 0.411391 Mn\n0.168014 0.985807 0.245475 Mn\n0.852134 0.014065 0.079128 Mn\n0.831986 0.985807 0.745475 Mn\n0.147866 0.014065 0.579128 Mn\n0.145880 0.945173 0.911391 Mn\n0.649417 0.502652 0.585634 Mn\n0.647199 0.511181 0.924338 Mn\n0.637479 0.510541 0.254360 Mn\n0.350583 0.502652 0.085634 Mn\n0.352801 0.511181 0.424338 Mn\n0.362521 0.510541 0.754360 Mn\n0.892586 0.768670 0.302162 O\n0.891283 0.793786 0.634939 O\n0.885744 0.760892 0.968816 O\n0.108717 0.793786 0.134939 O\n0.114256 0.760892 0.468816 O\n0.107414 0.768670 0.802162 O\n0.398276 0.713198 0.316560 O\n0.613658 0.706575 0.475895 O\n0.601724 0.713198 0.816560 O\n0.386342 0.706575 0.975895 O\n0.623705 0.281759 0.029855 O\n0.383392 0.285912 0.194685 O\n0.376295 0.281759 0.529855 O\n0.616608 0.285912 0.694685 O\n0.615423 0.772453 0.141916 F\n0.384577 0.772453 0.641916 F\n0.618158 0.234694 0.367911 F\n0.381842 0.234694 0.867911 F\n0.876195 0.263101 0.193282 F\n0.883589 0.218885 0.514966 F\n0.129035 0.230656 0.358685 F\n0.116411 0.218885 0.014966 F\n0.870965 0.230656 0.858685 F\n0.123805 0.263101 0.693282 F\n","nsites":36,"nelements":3,"elements":["Mn","O","F"],"chemical_system":"F-Mn-O","density":4.492113593019376,"density_atomic":0.09074243942354944,"volume":396.7272670725369,"volume_molar":6.6365206823359175,"formula_full":"Mn12 O14 F10","formula_reduced":"Mn6O7F5","formula_anonymous":"A5B6C7","energy":-277.72300712,"energy_per_atom":-7.714527975555555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-243.46900712,"band_gap":0.1501999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":46.0010847,"is_theoretical":true,"updated_at":"2021-11-28T01:34:50.206000Z","spacegroup":7}]}