{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy&page=10183","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy&page=10181","results":[{"id":"mp-1225867","created_at":"2022-09-04T14:40:31.315301Z","structure_string":"Er4 Fe34 C3\n1.0\n4.315052 2.487274 4.138150\n-4.289056 2.450493 4.133094\n-0.037462 -9.892780 8.281579\nEr Fe C\n4 34 3\ndirect\n0.663519 0.654339 0.327516 Er\n0.661108 0.660291 0.825924 Er\n0.336481 0.345661 0.172484 Er\n0.338892 0.339709 0.674076 Er\n0.902277 0.903807 0.452169 Fe\n0.904774 0.904215 0.950628 Fe\n0.097723 0.096193 0.047831 Fe\n0.095226 0.095785 0.549372 Fe\n0.341500 0.344727 0.426284 Fe\n0.343155 0.342599 0.924211 Fe\n0.341737 0.850991 0.172216 Fe\n0.344106 0.849514 0.673156 Fe\n0.852511 0.344901 0.172920 Fe\n0.848937 0.344790 0.673069 Fe\n0.658500 0.655273 0.073716 Fe\n0.656845 0.657401 0.575789 Fe\n0.658263 0.149009 0.327784 Fe\n0.655894 0.150486 0.826844 Fe\n0.147489 0.655099 0.327080 Fe\n0.151063 0.655210 0.826931 Fe\n0.284813 0.715682 0.500064 Fe\n0.284458 0.715460 0.999858 Fe\n0.716114 0.999653 0.142011 Fe\n0.709246 0.000007 0.646531 Fe\n0.001409 0.290626 0.354581 Fe\n0.999188 0.291359 0.853746 Fe\n0.283886 0.000347 0.357989 Fe\n0.290754 0.999993 0.853469 Fe\n0.998591 0.709374 0.145419 Fe\n0.000812 0.708641 0.646254 Fe\n0.715187 0.284318 0.999936 Fe\n0.715542 0.284540 0.500142 Fe\n0.000000 0.000000 0.250000 Fe\n0.000000 0.000000 0.750000 Fe\n0.998995 0.499888 0.500364 Fe\n0.001005 0.500112 0.999636 Fe\n0.500345 0.998062 0.998972 Fe\n0.499655 0.001937 0.501028 Fe\n0.498785 0.499613 0.999635 C\n0.501215 0.500387 0.500365 C\n0.500000 0.000000 0.250000 C\n","nsites":41,"nelements":3,"elements":["Er","Fe","C"],"chemical_system":"C-Er-Fe","density":8.189926445239156,"density_atomic":0.07766180047743163,"volume":527.9300730597216,"volume_molar":7.754315149762751,"formula_full":"Er4 Fe34 C3","formula_reduced":"Er4Fe34C3","formula_anonymous":"A3B4C34","energy":-336.19455931,"energy_per_atom":-8.199867300243902,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-336.19455931,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":74.075413,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.939000Z","spacegroup":2},{"id":"mp-760222","created_at":"2022-09-04T14:41:16.604082Z","structure_string":"Li8 V4 C8 O24\n1.0\n6.361198 4.725759 0.000000\n-6.361198 4.725759 0.000000\n0.000000 4.249637 7.982717\nLi V C O\n8 4 8 24\ndirect\n0.136010 0.000668 0.065894 Li\n0.459836 0.973249 0.366693 Li\n0.408910 0.583573 0.517881 Li\n0.583573 0.408910 0.017881 Li\n0.476699 0.946184 0.854283 Li\n0.946184 0.476699 0.354283 Li\n0.000668 0.136010 0.565894 Li\n0.973249 0.459836 0.866693 Li\n0.751918 0.008656 0.996885 V\n0.008656 0.751918 0.496885 V\n0.251056 0.505839 0.000411 V\n0.505839 0.251056 0.500411 V\n0.286965 0.183971 0.259571 C\n0.321498 0.722863 0.228177 C\n0.183971 0.286965 0.759571 C\n0.722863 0.321498 0.728177 C\n0.215284 0.817281 0.732743 C\n0.817281 0.215284 0.232743 C\n0.785598 0.690742 0.261863 C\n0.690742 0.785598 0.761863 C\n0.130659 0.067889 0.387278 O\n0.289279 0.237296 0.108269 O\n0.067889 0.130659 0.887278 O\n0.058049 0.725220 0.722727 O\n0.227217 0.563772 0.223181 O\n0.293550 0.733203 0.376324 O\n0.435763 0.874732 0.094907 O\n0.361282 0.945812 0.599329 O\n0.230662 0.776209 0.876885 O\n0.237296 0.289279 0.608269 O\n0.247927 0.449736 0.774633 O\n0.563772 0.227217 0.723181 O\n0.449736 0.247927 0.274633 O\n0.725220 0.058049 0.222727 O\n0.776209 0.230662 0.376885 O\n0.765288 0.748895 0.124248 O\n0.643885 0.558528 0.397426 O\n0.558528 0.643885 0.897426 O\n0.748895 0.765288 0.624248 O\n0.759912 0.955564 0.768636 O\n0.955564 0.759912 0.268636 O\n0.945812 0.361282 0.099329 O\n0.874732 0.435763 0.594907 O\n0.733203 0.293550 0.876324 O\n","nsites":44,"nelements":4,"elements":["Li","V","C","O"],"chemical_system":"C-Li-O-V","density":2.5580963053851766,"density_atomic":0.09167722601706497,"volume":479.9447137701326,"volume_molar":6.568851416685565,"formula_full":"Li8 V4 C8 O24","formula_reduced":"Li2V(CO3)2","formula_anonymous":"AB2C2D6","energy":-336.19865248,"energy_per_atom":-7.640878465454546,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-312.91065248,"band_gap":2.4183,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.999383,"is_theoretical":true,"updated_at":"2021-11-28T01:35:17.161000Z","spacegroup":9},{"id":"mp-1203081","created_at":"2022-09-04T14:41:14.528390Z","structure_string":"Cs8 Te16 O36\n1.0\n-5.481408 5.481408 10.453579\n5.481408 -5.481408 10.453579\n5.481408 5.481408 -10.453579\nCs Te O\n8 16 36\ndirect\n0.375000 0.403371 0.528371 Cs\n0.875000 0.846629 0.471629 Cs\n0.153371 0.625000 0.028371 Cs\n0.596629 0.125000 0.971629 Cs\n0.505174 0.005174 0.500000 Cs\n0.244826 0.244826 0.000000 Cs\n0.994826 0.494826 0.500000 Cs\n0.755174 0.755174 0.000000 Cs\n0.183359 0.935335 0.996994 Te\n0.566641 0.063635 0.251976 Te\n0.938341 0.186365 0.003006 Te\n0.811659 0.314665 0.748024 Te\n0.813635 0.816641 0.751976 Te\n0.936365 0.188341 0.503006 Te\n0.064665 0.061659 0.248024 Te\n0.685335 0.433359 0.496994 Te\n0.463241 0.707229 0.027432 Te\n0.286759 0.814191 0.743988 Te\n0.679798 0.435809 0.972568 Te\n0.070202 0.542771 0.256012 Te\n0.564191 0.536759 0.243988 Te\n0.185809 0.929798 0.472568 Te\n0.292771 0.320202 0.756012 Te\n0.457229 0.713241 0.527432 Te\n0.524609 0.719745 0.211135 O\n0.225391 0.936527 0.695136 O\n0.508610 0.313473 0.788865 O\n0.241390 0.530255 0.304864 O\n0.686527 0.475391 0.195136 O\n0.063473 0.758610 0.288865 O\n0.280255 0.491390 0.804864 O\n0.469745 0.774609 0.711135 O\n0.045593 0.806502 0.896080 O\n0.704407 0.100488 0.260909 O\n0.910422 0.149512 0.103920 O\n0.839578 0.443498 0.739091 O\n0.850488 0.954407 0.760909 O\n0.899512 0.160422 0.603920 O\n0.193498 0.089578 0.239091 O\n0.556502 0.295593 0.396080 O\n0.340390 0.879002 0.113294 O\n0.409610 0.022903 0.038612 O\n0.765708 0.227097 0.886706 O\n0.984292 0.370998 0.961388 O\n0.772903 0.659610 0.538612 O\n0.977097 0.015708 0.386706 O\n0.120998 0.234292 0.461388 O\n0.629002 0.590390 0.613294 O\n0.151607 0.812248 0.768925 O\n0.598393 0.867318 0.160641 O\n0.043323 0.382682 0.231075 O\n0.706677 0.437752 0.839359 O\n0.617318 0.848393 0.660641 O\n0.132682 0.293323 0.731075 O\n0.187752 0.956677 0.339359 O\n0.562248 0.401607 0.268925 O\n0.603246 0.603246 0.000000 O\n0.146754 0.646754 0.500000 O\n0.396754 0.396754 0.000000 O\n0.353246 0.853246 0.500000 O\n","nsites":60,"nelements":3,"elements":["Cs","Te","O"],"chemical_system":"Cs-O-Te","density":4.8650203327355,"density_atomic":0.04775754513497389,"volume":1256.345983245707,"volume_molar":12.609820590610413,"formula_full":"Cs8 Te16 O36","formula_reduced":"Cs2Te4O9","formula_anonymous":"A2B4C9","energy":-336.22157563,"energy_per_atom":-5.603692927166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-311.48957563,"band_gap":2.4583,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002789,"is_theoretical":false,"updated_at":"2021-11-28T01:35:15.580000Z","spacegroup":122},{"id":"mp-1271275","created_at":"2022-09-04T14:46:17.892808Z","structure_string":"Zn8 Sb16 N32\n1.0\n8.946270 0.000000 0.000000\n0.000000 8.946270 0.000000\n0.000000 0.000000 8.946270\nZn Sb N\n8 16 32\ndirect\n0.375000 0.375000 0.375000 Zn\n0.375000 0.875000 0.875000 Zn\n0.875000 0.375000 0.875000 Zn\n0.875000 0.875000 0.375000 Zn\n0.625000 0.625000 0.625000 Zn\n0.625000 0.125000 0.125000 Zn\n0.125000 0.625000 0.125000 Zn\n0.125000 0.125000 0.625000 Zn\n0.000000 0.000000 0.000000 Sb\n0.000000 0.250000 0.250000 Sb\n0.250000 0.000000 0.250000 Sb\n0.250000 0.250000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.000000 0.750000 0.750000 Sb\n0.250000 0.500000 0.750000 Sb\n0.250000 0.750000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.500000 0.250000 0.750000 Sb\n0.750000 0.000000 0.750000 Sb\n0.750000 0.250000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.750000 0.250000 Sb\n0.750000 0.500000 0.250000 Sb\n0.750000 0.750000 0.000000 Sb\n0.759820 0.759820 0.759820 N\n0.759820 0.490180 0.490180 N\n0.490180 0.759820 0.490180 N\n0.490180 0.490180 0.759820 N\n0.240180 0.240180 0.240180 N\n0.240180 0.009820 0.009820 N\n0.009820 0.240180 0.009820 N\n0.009820 0.009820 0.240180 N\n0.759820 0.259820 0.259820 N\n0.759820 0.990180 0.990180 N\n0.490180 0.259820 0.990180 N\n0.490180 0.990180 0.259820 N\n0.240180 0.740180 0.740180 N\n0.240180 0.509820 0.509820 N\n0.009820 0.740180 0.509820 N\n0.009820 0.509820 0.740180 N\n0.259820 0.759820 0.259820 N\n0.259820 0.490180 0.990180 N\n0.990180 0.759820 0.990180 N\n0.990180 0.490180 0.259820 N\n0.740180 0.240180 0.740180 N\n0.740180 0.009820 0.509820 N\n0.509820 0.240180 0.509820 N\n0.509820 0.009820 0.740180 N\n0.259820 0.259820 0.759820 N\n0.259820 0.990180 0.490180 N\n0.990180 0.259820 0.490180 N\n0.990180 0.990180 0.759820 N\n0.740180 0.740180 0.240180 N\n0.740180 0.509820 0.009820 N\n0.509820 0.740180 0.009820 N\n0.509820 0.509820 0.240180 N\n","nsites":56,"nelements":3,"elements":["Zn","Sb","N"],"chemical_system":"N-Sb-Zn","density":6.771008376939768,"density_atomic":0.07820995277513937,"volume":716.02140153447,"volume_molar":7.699967262880461,"formula_full":"Zn8 Sb16 N32","formula_reduced":"Zn(SbN2)2","formula_anonymous":"AB2C4","energy":-336.22528764000003,"energy_per_atom":-6.0040229935714295,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-324.67328764,"band_gap":1.1533999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0051374,"is_theoretical":true,"updated_at":"2021-11-28T01:37:29.554000Z","spacegroup":227},{"id":"mp-766004","created_at":"2022-09-04T14:39:13.741048Z","structure_string":"Li8 V4 C8 O24\n1.0\n-0.000013 4.904079 0.000000\n3.377101 -0.000013 -12.595845\n-8.399144 0.000020 -0.627958\nLi V C O\n8 4 8 24\ndirect\n0.532182 0.040287 0.940410 Li\n0.532114 0.540524 0.940124 Li\n0.032170 0.459715 0.059586 Li\n0.032127 0.959483 0.059885 Li\n0.964376 0.274655 0.656013 Li\n0.964458 0.774358 0.655223 Li\n0.464395 0.225344 0.343988 Li\n0.464476 0.725650 0.344795 Li\n0.505182 0.604413 0.595396 V\n0.005180 0.895587 0.404605 V\n0.505314 0.104649 0.596277 V\n0.005312 0.395345 0.403716 V\n0.025995 0.103094 0.827913 C\n0.025959 0.602989 0.827162 C\n0.525989 0.396905 0.172083 C\n0.525966 0.897013 0.172840 C\n0.467816 0.369792 0.603794 C\n0.467840 0.869837 0.604163 C\n0.967828 0.130204 0.396204 C\n0.967845 0.630164 0.395840 C\n0.914007 0.053917 0.929924 O\n0.914059 0.553976 0.929353 O\n0.413995 0.446082 0.070073 O\n0.414070 0.946024 0.070646 O\n0.290393 0.109496 0.819468 O\n0.290347 0.609430 0.818672 O\n0.790387 0.390505 0.180528 O\n0.790359 0.890574 0.181329 O\n0.878000 0.149030 0.733858 O\n0.877906 0.648776 0.732945 O\n0.377997 0.350967 0.266140 O\n0.377917 0.851228 0.267059 O\n0.566428 0.277118 0.600344 O\n0.566262 0.777020 0.599706 O\n0.066440 0.222878 0.399650 O\n0.066270 0.722981 0.400291 O\n0.132427 0.057583 0.427170 O\n0.132507 0.557435 0.426228 O\n0.632416 0.442413 0.572832 O\n0.632505 0.942565 0.573775 O\n0.212495 0.389514 0.633435 O\n0.212669 0.889553 0.634233 O\n0.712506 0.110481 0.366563 O\n0.712671 0.610448 0.365774 O\n","nsites":44,"nelements":4,"elements":["Li","V","C","O"],"chemical_system":"C-Li-O-V","density":2.319897817598858,"density_atomic":0.0831406527239726,"volume":529.2236536328411,"volume_molar":7.243316672041942,"formula_full":"Li8 V4 C8 O24","formula_reduced":"Li2V(CO3)2","formula_anonymous":"AB2C2D6","energy":-336.22541551,"energy_per_atom":-7.641486716136364,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-312.93741551,"band_gap":3.0338,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0001165,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.225000Z","spacegroup":4},{"id":"mp-37167","created_at":"2022-09-04T14:42:13.427578Z","structure_string":"U12 Rh4 Se31\n1.0\n-6.842508 6.842508 6.857255\n6.842508 -6.842508 6.857255\n6.842508 6.842508 -6.857255\nU Rh Se\n12 4 31\ndirect\n0.705162 0.000859 0.295696 U\n0.294838 0.590534 0.295696 U\n0.699501 0.699501 0.399002 U\n0.409466 0.705162 0.704304 U\n0.000859 0.705162 0.295696 U\n0.300499 0.699501 0.000000 U\n0.590534 0.294838 0.295696 U\n0.300499 0.300499 0.600998 U\n0.705162 0.409466 0.704304 U\n0.999141 0.294838 0.704304 U\n0.699501 0.300499 0.000000 U\n0.294838 0.999141 0.704304 U\n0.000000 0.000000 0.500000 Rh\n0.500000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.437366 0.999518 0.182170 Se\n0.182652 0.000482 0.437848 Se\n0.182652 0.744805 0.182170 Se\n0.817348 0.999518 0.562152 Se\n0.500000 0.763042 0.263042 Se\n0.250000 0.750000 0.500000 Se\n0.811495 0.811495 0.251639 Se\n0.255195 0.817348 0.817830 Se\n0.562634 0.744805 0.562152 Se\n0.999518 0.817348 0.562152 Se\n0.559856 0.811495 0.000000 Se\n0.000482 0.562634 0.817830 Se\n0.440144 0.440144 0.251639 Se\n0.255195 0.437366 0.437848 Se\n0.763042 0.500000 0.263042 Se\n0.236958 0.500000 0.736958 Se\n0.744805 0.562634 0.562152 Se\n0.559856 0.559856 0.748361 Se\n0.999518 0.437366 0.182170 Se\n0.188505 0.440144 0.000000 Se\n0.500000 0.500000 0.000000 Se\n0.437366 0.255195 0.437848 Se\n0.811495 0.559856 0.000000 Se\n0.744805 0.182652 0.182170 Se\n0.188505 0.188505 0.748361 Se\n0.750000 0.250000 0.500000 Se\n0.500000 0.236958 0.736958 Se\n0.817348 0.255195 0.817830 Se\n0.000482 0.182652 0.437848 Se\n0.440144 0.188505 0.000000 Se\n0.562634 0.000482 0.817830 Se\n","nsites":47,"nelements":3,"elements":["U","Rh","Se"],"chemical_system":"Rh-Se-U","density":7.390601774200091,"density_atomic":0.03659796513641892,"volume":1284.22440495824,"volume_molar":16.45485134911865,"formula_full":"U12 Rh4 Se31","formula_reduced":"U12Rh4Se31","formula_anonymous":"A4B12C31","energy":-336.22583853000003,"energy_per_atom":-7.15374124531915,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-321.59383853,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":22.0012927,"is_theoretical":true,"updated_at":"2021-11-28T01:35:36.899000Z","spacegroup":139},{"id":"mp-556670","created_at":"2022-09-04T14:41:14.587819Z","structure_string":"Mn4 H24 S4 O24\n1.0\n5.674621 0.000000 0.000000\n0.000000 9.606863 0.000000\n0.000000 0.000000 9.924046\nMn H S O\n4 24 4 24\ndirect\n0.246120 0.190506 0.275042 Mn\n0.253880 0.809494 0.775042 Mn\n0.746120 0.309494 0.724958 Mn\n0.753880 0.690506 0.224958 Mn\n0.987305 0.098670 0.869688 H\n0.618065 0.467925 0.405784 H\n0.103649 0.967155 0.101302 H\n0.896351 0.467155 0.398698 H\n0.519172 0.099243 0.872971 H\n0.012695 0.598670 0.630312 H\n0.683695 0.709772 0.648711 H\n0.980828 0.900757 0.372971 H\n0.603649 0.532845 0.898698 H\n0.816305 0.290228 0.148711 H\n0.497363 0.263709 0.039570 H\n0.118065 0.032075 0.594216 H\n0.019172 0.400757 0.127029 H\n0.480828 0.599243 0.627029 H\n0.487305 0.401330 0.130312 H\n0.381935 0.967925 0.094216 H\n0.316305 0.209772 0.851289 H\n0.512695 0.901330 0.369688 H\n0.502637 0.763709 0.460430 H\n0.881935 0.532075 0.905784 H\n0.396351 0.032845 0.601302 H\n0.997363 0.236291 0.960430 H\n0.002637 0.736291 0.539570 H\n0.183695 0.790228 0.351289 H\n0.254765 0.657941 0.065094 S\n0.245235 0.342059 0.565094 S\n0.745235 0.157941 0.434906 S\n0.754765 0.842059 0.934906 S\n0.989517 0.297414 0.131281 O\n0.254450 0.985972 0.635160 O\n0.990463 0.702800 0.634695 O\n0.029400 0.423993 0.619809 O\n0.745550 0.485972 0.864840 O\n0.536410 0.923775 0.882700 O\n0.489517 0.202586 0.868719 O\n0.470600 0.576007 0.119809 O\n0.509537 0.297200 0.134695 O\n0.257647 0.629175 0.911332 O\n0.245550 0.014028 0.135160 O\n0.529400 0.076007 0.380191 O\n0.510483 0.702586 0.631281 O\n0.754450 0.514028 0.364840 O\n0.463590 0.423775 0.617300 O\n0.757647 0.870825 0.088668 O\n0.742353 0.129175 0.588668 O\n0.010483 0.797414 0.368719 O\n0.009537 0.202800 0.865305 O\n0.036410 0.576225 0.117300 O\n0.490463 0.797200 0.365305 O\n0.963590 0.076225 0.382700 O\n0.970600 0.923993 0.880191 O\n0.242353 0.370825 0.411332 O\n","nsites":56,"nelements":4,"elements":["Mn","H","S","O"],"chemical_system":"H-Mn-O-S","density":2.320982398713408,"density_atomic":0.10350964044703875,"volume":541.012409647512,"volume_molar":5.817951578221606,"formula_full":"Mn4 H24 S4 O24","formula_reduced":"MnH6SO6","formula_anonymous":"ABC6D6","energy":-336.2469016,"energy_per_atom":-6.004408957142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-313.0869016,"band_gap":4.4475,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0029329,"is_theoretical":false,"updated_at":"2021-11-28T01:35:15.546000Z","spacegroup":19},{"id":"mp-1209234","created_at":"2022-09-04T14:40:55.726790Z","structure_string":"Rb4 Cr4 S8 O32\n1.0\n-2.450410 -4.244235 0.000000\n-4.900820 0.000000 0.000000\n0.000000 0.000000 -34.330778\nRb Cr S O\n4 4 8 32\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.875000 Cr\n0.000000 0.000000 0.625000 Cr\n0.000000 0.000000 0.375000 Cr\n0.000000 0.000000 0.125000 Cr\n0.333334 0.333333 0.424535 S\n0.333334 0.333333 0.924535 S\n0.666666 0.666667 0.075465 S\n0.666666 0.666667 0.575465 S\n0.333334 0.333333 0.174535 S\n0.333334 0.333333 0.674535 S\n0.666666 0.666667 0.325465 S\n0.666666 0.666667 0.825465 S\n0.333334 0.333333 0.467136 O\n0.333334 0.333333 0.967136 O\n0.666666 0.666667 0.032864 O\n0.666666 0.666667 0.532864 O\n0.333334 0.333333 0.217136 O\n0.333334 0.333333 0.717136 O\n0.666666 0.666667 0.282864 O\n0.666666 0.666667 0.782864 O\n0.711904 0.929737 0.339941 O\n0.711904 0.929737 0.839941 O\n0.929737 0.358359 0.339941 O\n0.929737 0.358359 0.839941 O\n0.641641 0.070263 0.160059 O\n0.641641 0.070263 0.660059 O\n0.358359 0.711904 0.339941 O\n0.358359 0.711904 0.839941 O\n0.288096 0.641641 0.160059 O\n0.288096 0.641641 0.660059 O\n0.070263 0.288096 0.160059 O\n0.070263 0.288096 0.660059 O\n0.641641 0.288096 0.410059 O\n0.641641 0.288096 0.910059 O\n0.288096 0.070263 0.410059 O\n0.288096 0.070263 0.910059 O\n0.929737 0.711904 0.089941 O\n0.929737 0.711904 0.589941 O\n0.070263 0.641641 0.410059 O\n0.070263 0.641641 0.910059 O\n0.358359 0.929737 0.089941 O\n0.358359 0.929737 0.589941 O\n0.711904 0.358359 0.089941 O\n0.711904 0.358359 0.589941 O\n","nsites":48,"nelements":4,"elements":["Rb","Cr","S","O"],"chemical_system":"Cr-O-Rb-S","density":3.0657032168807046,"density_atomic":0.06721859299407845,"volume":714.0881393371103,"volume_molar":8.959040187780356,"formula_full":"Rb4 Cr4 S8 O32","formula_reduced":"RbCr(SO4)2","formula_anonymous":"ABC2D8","energy":-336.24961634000005,"energy_per_atom":-7.005200340416668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-306.26961634,"band_gap":2.9234,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:00.637000Z","spacegroup":165},{"id":"mp-1285188","created_at":"2022-09-04T14:45:12.842457Z","structure_string":"Ca2 Mn14 O24\n1.0\n-3.735693 -3.800176 3.749571\n-3.735653 3.800219 -3.749489\n0.000125 -7.535459 -7.433555\nCa Mn O\n2 14 24\ndirect\n0.999891 0.999916 0.000031 Ca\n0.499994 0.500035 0.500017 Ca\n0.749069 0.750740 0.250496 Mn\n0.250956 0.249256 0.749613 Mn\n0.499948 0.999887 0.000024 Mn\n0.000062 0.499950 0.499887 Mn\n0.000208 0.500089 0.000001 Mn\n0.499767 0.000072 0.500068 Mn\n0.249328 0.251087 0.250351 Mn\n0.750943 0.748792 0.749466 Mn\n0.747848 0.251988 0.248331 Mn\n0.251954 0.747948 0.751647 Mn\n0.999858 0.000207 0.500110 Mn\n0.249504 0.750458 0.250170 Mn\n0.750578 0.249419 0.749706 Mn\n0.500507 0.500040 0.999860 Mn\n0.836629 0.519947 0.348261 O\n0.337247 0.019125 0.848627 O\n0.662569 0.980769 0.151403 O\n0.163160 0.480003 0.651790 O\n0.479849 0.163291 0.348178 O\n0.980770 0.662619 0.848616 O\n0.019161 0.337336 0.151386 O\n0.519918 0.836633 0.651805 O\n0.778638 0.605781 0.090835 O\n0.280488 0.104129 0.587512 O\n0.719460 0.896342 0.412469 O\n0.221384 0.394117 0.909212 O\n0.104023 0.280612 0.412468 O\n0.605841 0.778538 0.909216 O\n0.394094 0.221348 0.090757 O\n0.896274 0.719486 0.587523 O\n0.254732 0.745166 0.433894 O\n0.754428 0.245596 0.934259 O\n0.245513 0.754370 0.065808 O\n0.745307 0.254814 0.566126 O\n0.433854 0.566317 0.257140 O\n0.934928 0.064883 0.754687 O\n0.065005 0.935056 0.245337 O\n0.566311 0.433837 0.742913 O\n","nsites":40,"nelements":3,"elements":["Ca","Mn","O"],"chemical_system":"Ca-Mn-O","density":4.8510446498407935,"density_atomic":0.09475159056710945,"volume":422.15650165438973,"volume_molar":6.35571468927977,"formula_full":"Ca2 Mn14 O24","formula_reduced":"CaMn7O12","formula_anonymous":"AB7C12","energy":-336.25022591000004,"energy_per_atom":-8.406255647750001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-296.41022591,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":53.9971573,"is_theoretical":true,"updated_at":"2021-11-28T01:36:52.658000Z","spacegroup":12},{"id":"mp-1638861","created_at":"2022-09-04T14:41:17.258060Z","structure_string":"Li8 V4 C8 O24\n1.0\n0.000005 4.899518 0.000010\n-6.802635 -0.000019 -7.007526\n-10.117459 0.000002 5.625776\nLi V C O\n8 4 8 24\ndirect\n0.531458 0.513651 0.429407 Li\n0.531377 0.013591 0.929378 Li\n0.031465 0.486362 0.570589 Li\n0.031381 0.986421 0.070616 Li\n0.964342 0.601776 0.053185 Li\n0.964297 0.101671 0.553247 Li\n0.464338 0.398217 0.946813 Li\n0.464307 0.898330 0.446752 Li\n0.505679 0.902020 0.693831 V\n0.005669 0.097980 0.306152 V\n0.505907 0.402292 0.193705 V\n0.005959 0.597674 0.806308 V\n0.025786 0.514969 0.311035 C\n0.025656 0.014808 0.811024 C\n0.525818 0.485040 0.688962 C\n0.525673 0.985192 0.188969 C\n0.468347 0.671051 0.932097 C\n0.468293 0.171079 0.432095 C\n0.968327 0.328947 0.067908 C\n0.968301 0.828915 0.567910 C\n0.913398 0.516836 0.411135 O\n0.913375 0.016694 0.911162 O\n0.413415 0.483175 0.588864 O\n0.413381 0.983316 0.088835 O\n0.290576 0.516891 0.300551 O\n0.290448 0.016729 0.800524 O\n0.790589 0.483121 0.699454 O\n0.790449 0.983272 0.199472 O\n0.877821 0.514175 0.217936 O\n0.877641 0.014028 0.717995 O\n0.377822 0.485828 0.782064 O\n0.377641 0.985965 0.282008 O\n0.566231 0.577120 0.023323 O\n0.566170 0.077125 0.523240 O\n0.066229 0.422878 0.976683 O\n0.066175 0.922867 0.476760 O\n0.133335 0.272061 0.155938 O\n0.133202 0.771944 0.655958 O\n0.633349 0.727936 0.844065 O\n0.633209 0.228057 0.344043 O\n0.212679 0.705276 0.926922 O\n0.212689 0.205336 0.426953 O\n0.712668 0.294731 0.073085 O\n0.712689 0.794661 0.573048 O\n","nsites":44,"nelements":4,"elements":["Li","V","C","O"],"chemical_system":"C-Li-O-V","density":2.295395736873795,"density_atomic":0.08226254552066238,"volume":534.8728236102086,"volume_molar":7.3206350738166535,"formula_full":"Li8 V4 C8 O24","formula_reduced":"Li2V(CO3)2","formula_anonymous":"AB2C2D6","energy":-336.25144999,"energy_per_atom":-7.642078408863637,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-312.96344999,"band_gap":3.1574,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.840000Z","spacegroup":4},{"id":"mp-24468","created_at":"2022-09-04T14:42:56.447539Z","structure_string":"H32 S4 N8 O16\n1.0\n6.060638 0.000000 0.000000\n0.000000 8.222178 0.000000\n0.000000 0.000000 10.801501\nH S N O\n32 4 8 16\ndirect\n0.420571 0.454668 0.835874 H\n0.920571 0.545332 0.164126 H\n0.920571 0.045332 0.335874 H\n0.420571 0.954668 0.664126 H\n0.148916 0.395501 0.838390 H\n0.648916 0.604499 0.161610 H\n0.648916 0.104499 0.338390 H\n0.148916 0.895501 0.661610 H\n0.254793 0.491137 0.712113 H\n0.754793 0.508863 0.287887 H\n0.754793 0.008863 0.212113 H\n0.254793 0.991137 0.787887 H\n0.221521 0.596059 0.846597 H\n0.721521 0.403941 0.153403 H\n0.201148 0.260328 0.177908 H\n0.721521 0.903941 0.346597 H\n0.410440 0.191091 0.087314 H\n0.910440 0.808909 0.912686 H\n0.910440 0.308909 0.587314 H\n0.410440 0.691091 0.412686 H\n0.148446 0.205505 0.028617 H\n0.648446 0.794495 0.971383 H\n0.648446 0.294495 0.528617 H\n0.148446 0.705505 0.471383 H\n0.206864 0.060979 0.135359 H\n0.706864 0.939021 0.864641 H\n0.706864 0.439021 0.635359 H\n0.206864 0.560979 0.364641 H\n0.201148 0.760328 0.322092 H\n0.701148 0.239672 0.677908 H\n0.701148 0.739672 0.822092 H\n0.221521 0.096059 0.653403 H\n0.247649 0.741439 0.075432 S\n0.747649 0.258561 0.924568 S\n0.747649 0.758561 0.575432 S\n0.247649 0.241439 0.424568 S\n0.259889 0.484022 0.806898 N\n0.759889 0.515978 0.193102 N\n0.759889 0.015978 0.306898 N\n0.259889 0.984022 0.693102 N\n0.242735 0.179992 0.107773 N\n0.742735 0.820008 0.892227 N\n0.742735 0.320008 0.607773 N\n0.242735 0.679992 0.392227 N\n0.488895 0.766531 0.102139 O\n0.988895 0.233469 0.897861 O\n0.988895 0.733469 0.602139 O\n0.488895 0.266531 0.397861 O\n0.116259 0.851907 0.157004 O\n0.616259 0.148093 0.842996 O\n0.616259 0.648093 0.657004 O\n0.116259 0.351907 0.342996 O\n0.204543 0.783235 0.941792 O\n0.704543 0.216765 0.058208 O\n0.704543 0.716765 0.441792 O\n0.204543 0.283235 0.558208 O\n0.186331 0.569809 0.100062 O\n0.686331 0.430191 0.899938 O\n0.686331 0.930191 0.600062 O\n0.186331 0.069809 0.399938 O\n","nsites":60,"nelements":4,"elements":["H","S","N","O"],"chemical_system":"H-N-O-S","density":1.630618947727464,"density_atomic":0.11147100616679312,"volume":538.2565571375799,"volume_molar":5.402427920125815,"formula_full":"H32 S4 N8 O16","formula_reduced":"H8S(NO2)2","formula_anonymous":"AB2C4D8","energy":-336.26799623,"energy_per_atom":-5.604466603833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-322.38799623,"band_gap":5.072699999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0029706,"is_theoretical":false,"updated_at":"2021-11-28T01:35:55.583000Z","spacegroup":33},{"id":"mp-676802","created_at":"2022-09-04T14:44:07.948420Z","structure_string":"K12 Hf6 F36\n1.0\n6.477016 0.000000 0.000000\n0.000000 13.300177 0.000000\n0.000000 5.735489 12.274148\nK Hf F\n12 6 36\ndirect\n0.500000 0.795487 0.215131 K\n0.500000 0.427223 0.283530 K\n0.000000 0.672024 0.502998 K\n0.000000 0.817712 0.113684 K\n0.000000 0.960185 0.532408 K\n0.500000 0.040047 0.207590 K\n0.500000 0.931652 0.740462 K\n0.500000 0.216588 0.766981 K\n0.000000 0.096316 0.023298 K\n0.000000 0.360885 0.519875 K\n0.000000 0.565759 0.894774 K\n0.500000 0.589189 0.742378 K\n0.500000 0.342719 0.010578 Hf\n0.000000 0.255375 0.243840 Hf\n0.500000 0.839031 0.497291 Hf\n0.500000 0.500432 0.509071 Hf\n0.000000 0.077018 0.742767 Hf\n0.500000 0.666385 0.002423 Hf\n0.286102 0.603193 0.116409 F\n0.277161 0.287543 0.132947 F\n0.722839 0.287543 0.132947 F\n0.713898 0.603193 0.116409 F\n0.723703 0.877296 0.387897 F\n0.740550 0.956563 0.122522 F\n0.712550 0.525348 0.394744 F\n0.000000 0.117251 0.224510 F\n0.000000 0.717989 0.307739 F\n0.000000 0.415834 0.179910 F\n0.259450 0.956563 0.122522 F\n0.287450 0.525348 0.394744 F\n0.220307 0.122792 0.626830 F\n0.276297 0.877296 0.387897 F\n0.288731 0.790155 0.616051 F\n0.213472 0.228816 0.352788 F\n0.500000 0.986639 0.494924 F\n0.500000 0.668304 0.502369 F\n0.500000 0.344067 0.533458 F\n0.786528 0.228816 0.352788 F\n0.711269 0.790155 0.616051 F\n0.779693 0.122792 0.626830 F\n0.718571 0.400913 0.903000 F\n0.770398 0.039438 0.851575 F\n0.719651 0.464512 0.620233 F\n0.000000 0.231561 0.733784 F\n0.000000 0.929209 0.738970 F\n0.000000 0.599277 0.708261 F\n0.229602 0.039438 0.851575 F\n0.280349 0.464512 0.620233 F\n0.281429 0.400913 0.903000 F\n0.296623 0.700518 0.881245 F\n0.500000 0.494737 0.012800 F\n0.500000 0.201210 0.000170 F\n0.500000 0.812352 0.001573 F\n0.703377 0.700518 0.881245 F\n","nsites":54,"nelements":3,"elements":["K","Hf","F"],"chemical_system":"F-Hf-K","density":3.49278830068041,"density_atomic":0.051070488696113914,"volume":1057.3621161394722,"volume_molar":11.791821292006238,"formula_full":"K12 Hf6 F36","formula_reduced":"K2HfF6","formula_anonymous":"AB2C6","energy":-336.27002928,"energy_per_atom":-6.227222764444445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-319.63802928,"band_gap":2.7355,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.4e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:35.172000Z","spacegroup":6}]}