{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=12165","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=12163","results":[{"id":"mp-974030","created_at":"2022-09-04T14:48:08.320036Z","structure_string":"La6 Rh18\n1.0\n2.688560 -4.656722 0.000000\n2.688560 4.656722 0.000000\n0.000000 0.000000 17.845956\nLa Rh\n6 18\ndirect\n0.333333 0.666667 0.541659 La\n0.666667 0.333333 0.041659 La\n0.666667 0.333333 0.458341 La\n0.333333 0.666667 0.958341 La\n0.333333 0.666667 0.750000 La\n0.666667 0.333333 0.250000 La\n0.166640 0.333280 0.127497 Rh\n0.833360 0.666720 0.627497 Rh\n0.666720 0.833360 0.127497 Rh\n0.166640 0.833360 0.127497 Rh\n0.833360 0.166640 0.627497 Rh\n0.333280 0.166640 0.627497 Rh\n0.833360 0.666720 0.872503 Rh\n0.833360 0.166640 0.872503 Rh\n0.333280 0.166640 0.872503 Rh\n0.666720 0.833360 0.372503 Rh\n0.166640 0.833360 0.372503 Rh\n0.166640 0.333280 0.372503 Rh\n0.000000 0.000000 0.250000 Rh\n0.000000 0.000000 0.750000 Rh\n0.333333 0.666667 0.250000 Rh\n0.666667 0.333333 0.750000 Rh\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n","nsites":24,"nelements":2,"elements":["La","Rh"],"chemical_system":"La-Rh","density":9.98026064888116,"density_atomic":0.053708297177478964,"volume":446.8583303002895,"volume_molar":11.212682353528818,"formula_full":"La6 Rh18","formula_reduced":"LaRh3","formula_anonymous":"AB3","energy":-174.79382463,"energy_per_atom":-7.28307602625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-174.79382463,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002741,"is_theoretical":false,"updated_at":"2021-11-28T01:38:31.027000Z","spacegroup":194},{"id":"mp-1227960","created_at":"2022-09-04T14:48:08.323192Z","structure_string":"Ba1 La2 Co3 O9\n1.0\n2.761046 -4.782272 0.000000\n2.761046 4.782272 0.000000\n0.000000 0.000000 6.701020\nBa La Co O\n1 2 3 9\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.334806 La\n0.333333 0.666667 0.665194 La\n0.000000 0.000000 0.500000 Co\n0.666667 0.333333 0.835258 Co\n0.333333 0.666667 0.164742 Co\n0.656500 0.828250 0.345612 O\n0.343500 0.171750 0.654388 O\n0.000000 0.500000 0.000000 O\n0.828250 0.656500 0.654388 O\n0.500000 0.000000 0.000000 O\n0.171750 0.343500 0.345612 O\n0.828250 0.171750 0.654388 O\n0.500000 0.500000 0.000000 O\n0.171750 0.828250 0.345612 O\n","nsites":15,"nelements":4,"elements":["Ba","La","Co","O"],"chemical_system":"Ba-Co-La-O","density":6.905705172639008,"density_atomic":0.0847641933236652,"volume":176.96151419413286,"volume_molar":7.1045809838653735,"formula_full":"Ba1 La2 Co3 O9","formula_reduced":"BaLa2(CoO3)3","formula_anonymous":"AB2C3D9","energy":-112.86009693,"energy_per_atom":-7.524006462,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-101.76309693,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9268223,"is_theoretical":true,"updated_at":"2021-11-28T01:38:28.120000Z","spacegroup":164},{"id":"mp-1247633","created_at":"2022-09-04T14:48:08.333213Z","structure_string":"Sr1 Ca7 Mn6 Cr2 O23\n1.0\n7.636311 0.003234 0.010805\n0.003253 7.669192 0.013428\n0.010834 0.013900 7.694918\nSr Ca Mn Cr O\n1 7 6 2 23\ndirect\n0.256231 0.256815 0.250943 Sr\n0.264976 0.251354 0.734614 Ca\n0.267974 0.728756 0.262301 Ca\n0.262997 0.750965 0.737300 Ca\n0.733077 0.260393 0.238077 Ca\n0.735127 0.269695 0.737337 Ca\n0.754383 0.748248 0.260839 Ca\n0.725294 0.731519 0.746446 Ca\n0.996728 0.000487 0.512799 Mn\n0.001812 0.509797 0.005085 Mn\n0.999905 0.505038 0.505117 Mn\n0.506318 0.002007 0.492006 Mn\n0.499911 0.501926 0.996585 Mn\n0.503105 0.501711 0.496864 Mn\n0.990497 0.991216 0.978846 Cr\n0.498415 0.997290 0.992536 Cr\n0.946906 0.939886 0.763313 O\n0.966412 0.462006 0.258391 O\n0.028282 0.553881 0.756677 O\n0.443778 0.976800 0.242471 O\n0.559125 0.021418 0.739887 O\n0.531828 0.525808 0.245882 O\n0.474204 0.476144 0.747834 O\n0.246561 0.008855 0.931818 O\n0.251638 0.004961 0.537207 O\n0.251059 0.499698 0.033675 O\n0.251675 0.502997 0.475642 O\n0.749199 0.983091 0.048679 O\n0.758944 0.010993 0.428532 O\n0.751835 0.503474 0.964846 O\n0.752105 0.506401 0.535969 O\n0.995019 0.213662 0.022337 O\n0.001844 0.251191 0.561612 O\n0.022700 0.791035 0.085892 O\n0.006413 0.755997 0.449965 O\n0.509485 0.249077 0.019020 O\n0.507909 0.252236 0.475453 O\n0.490222 0.750187 0.959090 O\n0.506104 0.752984 0.518114 O\n","nsites":39,"nelements":5,"elements":["Sr","Ca","Mn","Cr","O"],"chemical_system":"Ca-Cr-Mn-O-Sr","density":4.310381099545789,"density_atomic":0.0865425542099108,"volume":450.6453542543322,"volume_molar":6.958589118358085,"formula_full":"Sr1 Ca7 Mn6 Cr2 O23","formula_reduced":"SrCa7Mn6Cr2O23","formula_anonymous":"AB2C6D7E23","energy":-302.25983028,"energy_per_atom":-7.750252058461539,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-272.45283028,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":23.9999793,"is_theoretical":true,"updated_at":"2021-11-28T01:38:28.561000Z","spacegroup":1},{"id":"mp-1222713","created_at":"2022-09-04T14:48:08.336356Z","structure_string":"La1 U1 S2\n1.0\n6.850040 -1.983506 0.000000\n6.850040 1.983506 0.000000\n6.275693 0.000000 3.387184\nLa U S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 U\n0.243955 0.243955 0.243955 S\n0.756045 0.756045 0.756045 S\n","nsites":4,"nelements":3,"elements":["La","U","S"],"chemical_system":"La-S-U","density":7.957115691487263,"density_atomic":0.043457484147144926,"volume":92.04398456330777,"volume_molar":13.857545778787664,"formula_full":"La1 U1 S2","formula_reduced":"LaUS2","formula_anonymous":"ABC2","energy":-32.395815129999995,"energy_per_atom":-8.098953782499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.38981513,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.6967808,"is_theoretical":true,"updated_at":"2021-11-28T01:38:27.906000Z","spacegroup":166},{"id":"mp-1247639","created_at":"2022-09-04T14:48:08.339823Z","structure_string":"Sr4 Ca28 Ti12 Mn20 O92\n1.0\n10.955165 -0.003714 -0.037094\n-0.005060 15.464918 -0.016137\n-0.036422 -0.011323 10.835661\nSr Ca Ti Mn O\n4 28 12 20 92\ndirect\n0.007911 0.121282 0.504167 Sr\n0.499078 0.380037 0.995189 Sr\n0.242201 0.384649 0.254042 Sr\n0.249599 0.119616 0.264987 Sr\n0.012027 0.117412 0.995816 Ca\n0.020104 0.625915 0.498811 Ca\n0.013378 0.626487 0.994294 Ca\n0.530556 0.131812 0.507342 Ca\n0.538077 0.122488 0.972202 Ca\n0.526136 0.624645 0.497636 Ca\n0.526531 0.625790 0.994268 Ca\n0.482057 0.384426 0.508817 Ca\n0.488082 0.870371 0.996960 Ca\n0.484143 0.863982 0.513748 Ca\n0.965892 0.387649 0.998598 Ca\n0.974263 0.382227 0.505918 Ca\n0.972949 0.868666 0.002998 Ca\n0.968741 0.868503 0.505194 Ca\n0.226759 0.384749 0.734823 Ca\n0.229717 0.871211 0.247099 Ca\n0.230719 0.865571 0.748254 Ca\n0.732129 0.385521 0.245601 Ca\n0.724526 0.379734 0.745818 Ca\n0.730538 0.865761 0.247375 Ca\n0.725157 0.871180 0.744405 Ca\n0.279096 0.117427 0.738945 Ca\n0.276842 0.626849 0.261479 Ca\n0.272923 0.625612 0.751641 Ca\n0.771649 0.118223 0.251318 Ca\n0.766382 0.125622 0.753395 Ca\n0.763334 0.624917 0.251657 Ca\n0.771037 0.625522 0.755401 Ca\n0.994364 0.993879 0.247935 Ti\n0.988236 0.996267 0.757277 Ti\n0.997884 0.502647 0.250650 Ti\n0.250892 0.994873 0.994328 Ti\n0.233365 0.989996 0.513894 Ti\n0.249328 0.506296 0.004144 Ti\n0.255800 0.244714 0.963446 Ti\n0.246935 0.254970 0.505954 Ti\n0.250970 0.747680 0.002719 Ti\n0.985456 0.251475 0.266821 Ti\n0.988650 0.253181 0.750960 Ti\n0.998678 0.747854 0.251404 Ti\n0.999911 0.502037 0.749076 Mn\n0.508492 0.986916 0.242702 Mn\n0.503020 0.998330 0.748985 Mn\n0.501898 0.505824 0.251626 Mn\n0.500255 0.502730 0.747532 Mn\n0.251656 0.505396 0.501619 Mn\n0.748275 0.997153 0.998285 Mn\n0.743594 0.999473 0.499642 Mn\n0.748672 0.502862 0.999417 Mn\n0.750241 0.501674 0.502178 Mn\n0.252551 0.748188 0.500005 Mn\n0.751640 0.248904 0.000959 Mn\n0.746413 0.252079 0.502333 Mn\n0.748640 0.750475 0.999530 Mn\n0.749876 0.748088 0.501907 Mn\n0.000485 0.748825 0.750032 Mn\n0.518917 0.257240 0.264777 Mn\n0.504945 0.250813 0.744286 Mn\n0.500529 0.748666 0.252898 Mn\n0.501832 0.747571 0.751267 Mn\n0.103231 0.265243 0.597813 O\n0.108182 0.771059 0.105232 O\n0.106302 0.771900 0.603953 O\n0.592982 0.252988 0.107650 O\n0.602343 0.268665 0.593891 O\n0.605617 0.771816 0.106852 O\n0.607907 0.766689 0.607716 O\n0.397541 0.221687 0.374494 O\n0.403288 0.228773 0.898374 O\n0.396285 0.725522 0.396954 O\n0.394646 0.731542 0.894841 O\n0.892749 0.234320 0.397832 O\n0.901391 0.233778 0.898848 O\n0.894035 0.732239 0.395393 O\n0.897146 0.731891 0.895925 O\n0.144250 0.242460 0.344940 O\n0.149839 0.229452 0.838747 O\n0.146208 0.732156 0.354843 O\n0.145901 0.731259 0.854669 O\n0.655202 0.221451 0.355179 O\n0.651268 0.231120 0.855874 O\n0.646114 0.728616 0.354278 O\n0.645461 0.729087 0.855121 O\n0.350149 0.263281 0.642545 O\n0.356262 0.769495 0.144797 O\n0.355766 0.769024 0.645004 O\n0.865141 0.272238 0.141329 O\n0.853412 0.271137 0.647665 O\n0.856977 0.769568 0.143113 O\n0.857381 0.771972 0.646517 O\n0.360988 0.491843 0.139203 O\n0.355022 0.483843 0.643756 O\n0.356379 0.992401 0.155850 O\n0.357318 0.981448 0.641947 O\n0.857313 0.482684 0.142211 O\n0.856524 0.477537 0.646277 O\n0.853679 0.978846 0.143254 O\n0.855144 0.980375 0.644003 O\n0.141174 0.006863 0.362020 O\n0.146506 0.022752 0.859959 O\n0.145313 0.519714 0.356581 O\n0.146282 0.515974 0.853897 O\n0.626225 0.029476 0.358020 O\n0.648850 0.019828 0.849294 O\n0.647084 0.519905 0.355205 O\n0.643497 0.520069 0.855086 O\n0.394241 0.021703 0.895155 O\n0.395177 0.521453 0.393807 O\n0.390309 0.514658 0.890833 O\n0.883510 0.016370 0.387328 O\n0.894962 0.013864 0.897223 O\n0.895086 0.517169 0.395084 O\n0.897101 0.518110 0.896482 O\n0.105414 0.484787 0.103670 O\n0.103911 0.480605 0.606933 O\n0.107549 0.983479 0.105862 O\n0.103235 0.975910 0.610365 O\n0.613541 0.486644 0.110670 O\n0.606939 0.482634 0.604280 O\n0.604518 0.985626 0.094711 O\n0.599780 0.980177 0.599778 O\n0.008623 0.375504 0.276311 O\n0.012704 0.375608 0.785819 O\n0.007024 0.874308 0.284314 O\n0.012237 0.873784 0.789042 O\n0.497142 0.379424 0.280637 O\n0.507452 0.375315 0.771459 O\n0.507176 0.872007 0.298453 O\n0.508605 0.874434 0.784888 O\n0.495146 0.125191 0.716647 O\n0.492723 0.627356 0.209752 O\n0.489006 0.624772 0.712998 O\n0.998228 0.127746 0.216422 O\n0.987582 0.123489 0.725435 O\n0.990801 0.625955 0.213322 O\n0.987761 0.625109 0.710653 O\n0.227087 0.147586 0.053005 O\n0.252790 0.117384 0.517901 O\n0.237238 0.626024 0.037487 O\n0.235171 0.626937 0.540126 O\n0.749092 0.122608 0.036498 O\n0.746434 0.126513 0.540832 O\n0.744030 0.627194 0.036319 O\n0.743923 0.623877 0.539588 O\n0.264030 0.374733 0.475300 O\n0.250736 0.359710 0.007816 O\n0.271014 0.876116 0.459396 O\n0.263311 0.878273 0.966097 O\n0.757968 0.375653 0.460081 O\n0.749387 0.375768 0.966350 O\n0.754209 0.874076 0.462672 O\n0.756101 0.874280 0.960348 O\n","nsites":156,"nelements":5,"elements":["Sr","Ca","Ti","Mn","O"],"chemical_system":"Ca-Mn-O-Sr-Ti","density":4.177007499544505,"density_atomic":0.08497831393812087,"volume":1835.7624759841126,"volume_molar":7.086679507886183,"formula_full":"Sr4 Ca28 Ti12 Mn20 O92","formula_reduced":"SrCa7Ti3Mn5O23","formula_anonymous":"AB3C5D7E23","energy":-1248.49985897,"energy_per_atom":-8.003204224166668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1151.93585897,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":68.0001789,"is_theoretical":true,"updated_at":"2021-11-28T01:38:28.107000Z","spacegroup":1},{"id":"mp-1035896","created_at":"2022-09-04T14:48:08.320089Z","structure_string":"Y1 Mg14 C1 O16\n1.0\n4.289141 0.000000 0.000000\n0.000000 8.606299 0.000000\n0.000000 0.000000 8.841876\nY Mg C O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.731203 0.000000 Mg\n0.500000 0.268797 0.000000 Mg\n0.500000 0.744517 0.500000 Mg\n0.500000 0.255483 0.500000 Mg\n0.500000 0.000000 0.736470 Mg\n0.500000 0.500000 0.750146 Mg\n0.500000 0.000000 0.263530 Mg\n0.500000 0.500000 0.249854 Mg\n0.000000 0.734993 0.745235 Mg\n0.000000 0.265007 0.745235 Mg\n0.000000 0.734993 0.254765 Mg\n0.000000 0.265007 0.254765 Mg\n0.000000 0.500000 0.000000 C\n0.000000 0.000000 0.741657 O\n0.000000 0.500000 0.719850 O\n0.000000 0.000000 0.258343 O\n0.000000 0.500000 0.280150 O\n0.500000 0.750671 0.753364 O\n0.500000 0.249329 0.753364 O\n0.500000 0.750671 0.246636 O\n0.500000 0.249329 0.246636 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.743226 0.000000 O\n0.000000 0.256774 0.000000 O\n0.000000 0.754801 0.500000 O\n0.000000 0.245199 0.500000 O\n","nsites":32,"nelements":4,"elements":["Y","Mg","C","O"],"chemical_system":"C-Mg-O-Y","density":3.5469980027774985,"density_atomic":0.09804349959898914,"volume":326.3857382782563,"volume_molar":6.142315181150561,"formula_full":"Y1 Mg14 C1 O16","formula_reduced":"YMg14CO16","formula_anonymous":"ABC14D16","energy":-204.30639159,"energy_per_atom":-6.3845747371875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-193.31439159,"band_gap":0.3511000000000006,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9995655,"is_theoretical":true,"updated_at":"2021-11-28T01:38:32.975000Z","spacegroup":47},{"id":"mp-567248","created_at":"2022-09-04T14:48:08.330876Z","structure_string":"Yb4 Mn2 Sn5\n1.0\n2.310660 8.360104 0.000000\n-2.310660 8.360104 0.000000\n0.000000 2.305924 7.340751\nYb Mn Sn\n4 2 5\ndirect\n0.079494 0.079494 0.136794 Yb\n0.150263 0.150263 0.562422 Yb\n0.920506 0.920506 0.863206 Yb\n0.849737 0.849737 0.437578 Yb\n0.723992 0.723992 0.888639 Mn\n0.276008 0.276008 0.111361 Mn\n0.570756 0.570756 0.838646 Sn\n0.695939 0.695939 0.255899 Sn\n0.500000 0.500000 0.500000 Sn\n0.429244 0.429244 0.161354 Sn\n0.304061 0.304061 0.744101 Sn\n","nsites":11,"nelements":3,"elements":["Yb","Mn","Sn"],"chemical_system":"Mn-Sn-Yb","density":8.17123149701394,"density_atomic":0.03878595329222986,"volume":283.60782877041396,"volume_molar":15.526602413576459,"formula_full":"Yb4 Mn2 Sn5","formula_reduced":"Yb4Mn2Sn5","formula_anonymous":"A2B4C5","energy":-49.13647216,"energy_per_atom":-4.466952014545455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.13647216,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.14347,"is_theoretical":false,"updated_at":"2021-11-28T01:38:23.750000Z","spacegroup":12},{"id":"mp-792972","created_at":"2022-09-04T14:48:08.378571Z","structure_string":"Mn3 Cu2 Sn1 P6 O24\n1.0\n7.464026 -4.276718 0.000000\n7.464026 4.276718 0.000000\n5.013564 0.000000 6.990435\nMn Cu Sn P O\n3 2 1 6 24\ndirect\n0.143266 0.143266 0.143266 Mn\n0.357238 0.357238 0.357238 Mn\n0.642607 0.642607 0.642607 Mn\n0.002444 0.002444 0.002444 Cu\n0.499495 0.499495 0.499495 Cu\n0.857284 0.857284 0.857284 Sn\n0.043459 0.452541 0.747388 P\n0.452541 0.747388 0.043459 P\n0.747388 0.043459 0.452541 P\n0.962328 0.535806 0.254971 P\n0.254971 0.962328 0.535806 P\n0.535806 0.254971 0.962328 P\n0.502006 0.309704 0.124002 O\n0.124002 0.502006 0.309704 O\n0.258669 0.916037 0.059439 O\n0.309704 0.124002 0.502006 O\n0.611079 0.800418 0.019824 O\n0.437297 0.578490 0.240306 O\n0.916037 0.059439 0.258669 O\n0.578490 0.240306 0.437297 O\n0.991934 0.380602 0.195592 O\n0.240306 0.437297 0.578490 O\n0.947644 0.734762 0.089000 O\n0.195592 0.991934 0.380602 O\n0.800418 0.019824 0.611079 O\n0.059439 0.258669 0.916037 O\n0.765255 0.552156 0.420991 O\n0.019824 0.611079 0.800418 O\n0.420991 0.765255 0.552156 O\n0.089000 0.947644 0.734762 O\n0.552156 0.420991 0.765255 O\n0.380602 0.195592 0.991934 O\n0.696521 0.879555 0.489887 O\n0.734762 0.089000 0.947644 O\n0.879555 0.489887 0.696521 O\n0.489887 0.696521 0.879555 O\n","nsites":36,"nelements":5,"elements":["Mn","Cu","Sn","P","O"],"chemical_system":"Cu-Mn-O-P-Sn","density":3.6479936277047615,"density_atomic":0.08066488987300216,"volume":446.2908219013002,"volume_molar":7.465628192738113,"formula_full":"Mn3 Cu2 Sn1 P6 O24","formula_reduced":"Mn3Cu2Sn(PO4)6","formula_anonymous":"AB2C3D6E24","energy":-271.07933621,"energy_per_atom":-7.529981561388889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-249.58733621,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.8295972,"is_theoretical":true,"updated_at":"2021-11-28T01:38:30.350000Z","spacegroup":146},{"id":"mp-1211940","created_at":"2022-09-04T14:48:08.412036Z","structure_string":"K8 Li8 W8 O40\n1.0\n7.733018 0.000000 0.000000\n0.000000 10.991453 0.000000\n0.000000 0.000000 12.659719\nK Li W O\n8 8 8 40\ndirect\n0.194368 0.795707 0.872687 K\n0.805632 0.204293 0.127313 K\n0.305632 0.295707 0.127313 K\n0.805632 0.704293 0.372687 K\n0.694368 0.704293 0.872687 K\n0.194368 0.295707 0.627313 K\n0.694368 0.204293 0.627313 K\n0.305632 0.795707 0.372687 K\n0.008943 0.582093 0.674658 Li\n0.991057 0.417907 0.325342 Li\n0.491057 0.082093 0.325342 Li\n0.991057 0.917907 0.174658 Li\n0.508943 0.917907 0.674658 Li\n0.008943 0.082093 0.825342 Li\n0.508943 0.417907 0.825342 Li\n0.491057 0.582093 0.174658 Li\n0.438070 0.621910 0.624187 W\n0.561930 0.378090 0.375813 W\n0.061930 0.121910 0.375813 W\n0.561930 0.878090 0.124187 W\n0.938070 0.878090 0.624187 W\n0.438070 0.121910 0.875813 W\n0.938070 0.378090 0.875813 W\n0.061930 0.621910 0.124187 W\n0.222735 0.561881 0.597896 O\n0.777265 0.438119 0.402104 O\n0.277265 0.061881 0.402104 O\n0.777265 0.938119 0.097896 O\n0.722735 0.938119 0.597896 O\n0.222735 0.061881 0.902104 O\n0.722735 0.438119 0.902104 O\n0.277265 0.561881 0.097896 O\n0.036215 0.834329 0.501456 O\n0.963785 0.165671 0.498544 O\n0.463785 0.334329 0.498544 O\n0.963785 0.665671 0.001456 O\n0.536215 0.665671 0.501456 O\n0.036215 0.334329 0.998544 O\n0.536215 0.165671 0.998544 O\n0.463785 0.834329 0.001456 O\n0.069713 0.988965 0.696998 O\n0.930287 0.011035 0.303002 O\n0.430287 0.488965 0.303002 O\n0.930287 0.511035 0.196998 O\n0.569713 0.511035 0.696998 O\n0.069713 0.488965 0.803002 O\n0.569713 0.011035 0.803002 O\n0.430287 0.988965 0.196998 O\n0.341168 0.546856 0.890652 O\n0.658832 0.453144 0.109348 O\n0.158832 0.046856 0.109348 O\n0.658832 0.953144 0.390652 O\n0.841168 0.953144 0.890652 O\n0.341168 0.046856 0.609348 O\n0.841168 0.453144 0.609348 O\n0.158832 0.546856 0.390652 O\n0.421806 0.756735 0.707620 O\n0.578194 0.243265 0.292380 O\n0.078194 0.256735 0.292380 O\n0.578194 0.743265 0.207620 O\n0.921806 0.743265 0.707620 O\n0.421806 0.256735 0.792380 O\n0.921806 0.243265 0.792380 O\n0.078194 0.756735 0.207620 O\n","nsites":64,"nelements":4,"elements":["K","Li","W","O"],"chemical_system":"K-Li-O-W","density":3.825597297012046,"density_atomic":0.059477373188317036,"volume":1076.039451126455,"volume_molar":10.12509537186977,"formula_full":"K8 Li8 W8 O40","formula_reduced":"KLiWO5","formula_anonymous":"ABCD5","energy":-438.22938358,"energy_per_atom":-6.8473341184375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-375.24538358,"band_gap":0.7030999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0028141,"is_theoretical":true,"updated_at":"2021-11-28T01:38:28.055000Z","spacegroup":61},{"id":"mp-1228906","created_at":"2022-09-04T14:48:08.415784Z","structure_string":"Al1 Cr1 Fe2\n1.0\n2.822781 0.000000 0.000000\n0.000000 2.822781 0.000000\n0.000000 0.000000 5.725798\nAl Cr Fe\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.241164 Fe\n0.500000 0.500000 0.758836 Fe\n","nsites":4,"nelements":3,"elements":["Al","Cr","Fe"],"chemical_system":"Al-Cr-Fe","density":6.939620028014657,"density_atomic":0.08767375303102246,"volume":45.623688523800745,"volume_molar":6.868806857018118,"formula_full":"Al1 Cr1 Fe2","formula_reduced":"AlCrFe2","formula_anonymous":"ABC2","energy":-30.96678244,"energy_per_atom":-7.74169561,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.96678244,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0409318,"is_theoretical":true,"updated_at":"2021-11-28T01:38:26.623000Z","spacegroup":123},{"id":"mp-14504","created_at":"2022-09-04T14:48:08.440481Z","structure_string":"Hf24 Cr20 Si28\n1.0\n5.092434 0.000000 0.000000\n0.000000 13.223981 0.000000\n0.000000 0.000000 16.292642\nHf Cr Si\n24 20 28\ndirect\n0.250000 0.181744 0.289957 Hf\n0.750000 0.818256 0.710043 Hf\n0.750000 0.681744 0.210043 Hf\n0.250000 0.318256 0.789957 Hf\n0.250000 0.817420 0.149590 Hf\n0.750000 0.182580 0.850410 Hf\n0.750000 0.317420 0.350410 Hf\n0.250000 0.682580 0.649590 Hf\n0.250000 0.968007 0.676130 Hf\n0.750000 0.031993 0.323870 Hf\n0.750000 0.468007 0.823870 Hf\n0.250000 0.531993 0.176130 Hf\n0.250000 0.731060 0.443522 Hf\n0.750000 0.268940 0.556478 Hf\n0.750000 0.231060 0.056478 Hf\n0.250000 0.768940 0.943522 Hf\n0.250000 0.971000 0.437632 Hf\n0.750000 0.029000 0.562368 Hf\n0.750000 0.471000 0.062368 Hf\n0.250000 0.529000 0.937632 Hf\n0.250000 0.350184 0.464904 Hf\n0.750000 0.649816 0.535096 Hf\n0.750000 0.850184 0.035096 Hf\n0.250000 0.149816 0.964904 Hf\n0.250000 0.144219 0.563677 Cr\n0.750000 0.855781 0.436323 Cr\n0.750000 0.644219 0.936323 Cr\n0.250000 0.355781 0.063677 Cr\n0.500507 0.161339 0.685465 Cr\n0.000507 0.838661 0.314535 Cr\n0.499493 0.661339 0.814535 Cr\n0.999493 0.338661 0.185465 Cr\n0.499493 0.838661 0.314535 Cr\n0.999493 0.161339 0.685465 Cr\n0.500507 0.338661 0.185465 Cr\n0.000507 0.661339 0.814535 Cr\n0.512962 0.039676 0.130204 Cr\n0.012962 0.960324 0.869796 Cr\n0.487038 0.539676 0.369796 Cr\n0.987038 0.460324 0.630204 Cr\n0.487038 0.960324 0.869796 Cr\n0.987038 0.039676 0.130204 Cr\n0.512962 0.460324 0.630204 Cr\n0.012962 0.539676 0.369796 Cr\n0.496403 0.840867 0.561539 Si\n0.996403 0.159133 0.438461 Si\n0.503597 0.340867 0.938461 Si\n0.003597 0.659133 0.061539 Si\n0.503597 0.159133 0.438461 Si\n0.003597 0.840867 0.561539 Si\n0.496403 0.659133 0.061539 Si\n0.996403 0.340867 0.938461 Si\n0.250000 0.979974 0.258102 Si\n0.750000 0.020026 0.741898 Si\n0.750000 0.479974 0.241898 Si\n0.250000 0.520026 0.758102 Si\n0.250000 0.818942 0.785336 Si\n0.750000 0.181058 0.214664 Si\n0.750000 0.318942 0.714664 Si\n0.250000 0.681058 0.285336 Si\n0.250000 0.193921 0.125346 Si\n0.750000 0.806079 0.874654 Si\n0.750000 0.693921 0.374654 Si\n0.250000 0.306079 0.625346 Si\n0.250000 0.107223 0.805063 Si\n0.750000 0.892777 0.194937 Si\n0.750000 0.607223 0.694937 Si\n0.250000 0.392777 0.305063 Si\n0.250000 0.951686 0.015368 Si\n0.750000 0.048314 0.984632 Si\n0.750000 0.451686 0.484632 Si\n0.250000 0.548314 0.515368 Si\n","nsites":72,"nelements":3,"elements":["Hf","Cr","Si"],"chemical_system":"Cr-Hf-Si","density":9.24733453752049,"density_atomic":0.06562258830574606,"volume":1097.1831782151073,"volume_molar":9.176932692660474,"formula_full":"Hf24 Cr20 Si28","formula_reduced":"Hf6Cr5Si7","formula_anonymous":"A5B6C7","energy":-627.2596718699999,"energy_per_atom":-8.711939887083332,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-629.24767187,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0035549,"is_theoretical":false,"updated_at":"2021-11-28T01:38:28.038000Z","spacegroup":62},{"id":"mp-1041163","created_at":"2022-09-04T14:48:08.454571Z","structure_string":"Ho2 Zn2 Fe4 O12\n1.0\n5.210537 0.000000 0.000000\n0.000000 5.446791 0.000000\n0.000000 0.000000 7.619791\nHo Zn Fe O\n2 2 4 12\ndirect\n0.016981 0.682043 0.000000 Ho\n0.516981 0.317957 0.500000 Ho\n0.490942 0.212134 0.000000 Zn\n0.990942 0.787866 0.500000 Zn\n0.000986 0.237847 0.750034 Fe\n0.000986 0.237847 0.249966 Fe\n0.500986 0.762153 0.250034 Fe\n0.500986 0.762153 0.749966 Fe\n0.107891 0.199256 0.500000 O\n0.195324 0.945047 0.811714 O\n0.195324 0.945047 0.188286 O\n0.309249 0.438598 0.810938 O\n0.309249 0.438598 0.189062 O\n0.371897 0.713727 0.500000 O\n0.607891 0.800744 0.000000 O\n0.695324 0.054953 0.311714 O\n0.695324 0.054953 0.688286 O\n0.809249 0.561402 0.689062 O\n0.809249 0.561402 0.310938 O\n0.871897 0.286273 0.000000 O\n","nsites":20,"nelements":4,"elements":["Ho","Zn","Fe","O"],"chemical_system":"Fe-Ho-O-Zn","density":6.72686094967423,"density_atomic":0.09248339007555291,"volume":216.25504843260288,"volume_molar":6.51159170860876,"formula_full":"Ho2 Zn2 Fe4 O12","formula_reduced":"HoZn(FeO3)2","formula_anonymous":"ABC2D6","energy":-147.57938029,"energy_per_atom":-7.378969014499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-130.31138029,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":17.9998473,"is_theoretical":true,"updated_at":"2021-11-28T01:38:28.599000Z","spacegroup":31}]}