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O\n0.230610 0.970312 0.221492 O\n0.927030 0.364847 0.737806 O\n0.408505 0.312229 0.261927 O\n0.295683 0.398858 0.732592 O\n0.399043 0.605325 0.209999 O\n0.615935 0.141873 0.998131 O\n0.591495 0.687771 0.761927 O\n0.953911 0.141155 0.478111 O\n0.729795 0.267475 0.202988 O\n0.735072 0.970295 0.260162 O\n0.472606 0.237228 0.811133 O\n0.562183 0.927030 0.237806 O\n0.321577 0.988067 0.488800 O\n0.139226 0.573778 0.806749 O\n0.678423 0.011933 0.988800 O\n0.805323 0.901466 0.671223 O\n0.605325 0.206282 0.709999 O\n0.103174 0.704317 0.732592 O\n0.687771 0.096276 0.261927 O\n0.764622 0.527394 0.811133 O\n0.096276 0.408505 0.761927 O\n0.970312 0.739702 0.721492 O\n0.426222 0.565448 0.806749 O\n0.384065 0.858127 0.498131 O\n0.635153 0.562183 0.737806 O\n0.364847 0.437817 0.237806 O\n0.988067 0.666490 0.988800 O\n0.267475 0.537680 0.702988 O\n0.398858 0.103174 0.232592 O\n0.903857 0.805323 0.171223 O\n0.858127 0.474062 0.998131 O\n0.394675 0.793718 0.209999 O\n0.270205 0.732525 0.702988 O\n0.437817 0.072970 0.737806 O\n0.235223 0.264928 0.260162 O\n0.600957 0.394675 0.709999 O\n0.098534 0.903857 0.671223 O\n0.537680 0.270205 0.202988 O\n0.361123 0.930731 0.218684 O\n0.264928 0.029705 0.760162 O\n0.064664 0.127516 0.268286 O\n0.260298 0.230610 0.721492 O\n0.569607 0.638877 0.218684 O\n0.638877 0.069269 0.718684 O\n0.029705 0.764777 0.260162 O\n0.903724 0.591495 0.261927 O\n0.858845 0.812756 0.478111 O\n0.896826 0.295683 0.232592 O\n0.462320 0.729795 0.702988 O\n0.072970 0.635153 0.237806 O\n0.201475 0.717168 0.999649 O\n0.235378 0.472606 0.311133 O\n0.704317 0.601142 0.232592 O\n0.764777 0.735072 0.760162 O\n0.717168 0.515692 0.499649 O\n0.434552 0.860774 0.806749 O\n0.525938 0.384065 0.998131 O\n0.237228 0.764622 0.311133 O\n0.515692 0.798525 0.999649 O\n0.187244 0.046089 0.478111 O\n0.096143 0.194677 0.671223 O\n0.062852 0.935336 0.268286 O\n0.206282 0.600957 0.209999 O\n0.739702 0.769390 0.221492 O\n0.769390 0.029688 0.721492 O\n0.011933 0.333510 0.488800 O\n0.901466 0.096143 0.171223 O\n0.565448 0.139226 0.306749 O\n0.601142 0.896826 0.732592 O\n0.141155 0.187244 0.978111 O\n0.930731 0.569607 0.718684 O\n0.527394 0.762772 0.311133 O\n0.762772 0.235378 0.811133 O\n0.194677 0.098534 0.171223 O\n0.937148 0.064664 0.768286 O\n0.970295 0.235223 0.760162 O\n0.484308 0.201475 0.499649 O\n0.127516 0.062852 0.768286 O\n0.333510 0.321577 0.988800 O\n0.666490 0.678423 0.488800 O\n0.141873 0.525938 0.498131 O\n0.860774 0.426222 0.306749 O\n0.474062 0.615935 0.498131 O\n0.282832 0.484308 0.999649 O\n0.573778 0.434552 0.306749 O\n0.430393 0.361123 0.718684 O\n0.793718 0.399043 0.709999 O\n0.872484 0.937148 0.268286 O\n0.312229 0.903724 0.761927 O\n0.798525 0.282832 0.499649 O\n0.935336 0.872484 0.768286 O\n0.069269 0.430393 0.218684 O\n0.046089 0.858845 0.978111 O\n","nsites":168,"nelements":4,"elements":["K","Al","Ge","O"],"chemical_system":"Al-Ge-K-O","density":3.068233214818481,"density_atomic":0.0638037492319159,"volume":2633.074106497226,"volume_molar":9.438537440974716,"formula_full":"K24 Al24 Ge24 O96","formula_reduced":"KAlGeO4","formula_anonymous":"ABCD4","energy":-1152.33575963,"energy_per_atom":-6.859141426369048,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1086.38375963,"band_gap":4.0428,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0010973,"is_theoretical":false,"updated_at":"2021-11-28T01:37:42.349000Z","spacegroup":173},{"id":"mp-729188","created_at":"2022-09-04T14:46:59.946688Z","structure_string":"Sb16 H80 C24 F48\n1.0\n11.686129 0.000000 0.000000\n0.000000 7.454426 0.000000\n0.000000 6.728772 26.529393\nSb H C F\n16 80 24 48\ndirect\n0.655178 0.177652 0.576066 Sb\n0.844822 0.177652 0.076066 Sb\n0.344822 0.822348 0.423934 Sb\n0.155178 0.822348 0.923934 Sb\n0.366014 0.512073 0.169880 Sb\n0.133986 0.512073 0.669880 Sb\n0.633986 0.487927 0.830120 Sb\n0.866014 0.487927 0.330120 Sb\n0.864171 0.013159 0.733854 Sb\n0.635829 0.013159 0.233854 Sb\n0.135829 0.986841 0.266146 Sb\n0.364171 0.986841 0.766146 Sb\n0.237528 0.218916 0.537111 Sb\n0.262472 0.218916 0.037111 Sb\n0.762472 0.781084 0.462889 Sb\n0.737528 0.781084 0.962889 Sb\n0.590163 0.271394 0.520570 H\n0.909837 0.271394 0.020570 H\n0.409837 0.728606 0.479430 H\n0.090163 0.728606 0.979430 H\n0.364979 0.290667 0.165036 H\n0.135021 0.290667 0.665036 H\n0.635021 0.709333 0.834964 H\n0.864979 0.709333 0.334964 H\n0.523360 0.894193 0.571011 H\n0.976640 0.894193 0.071011 H\n0.476640 0.105807 0.428989 H\n0.023360 0.105807 0.928989 H\n0.549176 0.890415 0.636442 H\n0.950824 0.890415 0.136442 H\n0.450824 0.109585 0.363558 H\n0.049176 0.109585 0.863558 H\n0.657420 0.807783 0.599836 H\n0.842580 0.807783 0.099836 H\n0.342580 0.192217 0.400164 H\n0.157420 0.192217 0.900164 H\n0.552921 0.454070 0.604656 H\n0.947079 0.454070 0.104656 H\n0.447079 0.545930 0.395344 H\n0.052921 0.545930 0.895344 H\n0.685644 0.396751 0.638826 H\n0.814356 0.396751 0.138826 H\n0.314356 0.603249 0.361174 H\n0.185644 0.603249 0.861174 H\n0.561074 0.252843 0.657303 H\n0.938926 0.252843 0.157303 H\n0.438926 0.747157 0.342697 H\n0.061074 0.747157 0.842697 H\n0.873774 0.165489 0.602922 H\n0.626226 0.165489 0.102922 H\n0.126226 0.834511 0.397078 H\n0.373774 0.834511 0.897078 H\n0.860340 0.305088 0.538957 H\n0.639660 0.305088 0.038957 H\n0.139660 0.694912 0.461043 H\n0.360340 0.694912 0.961043 H\n0.857207 0.056607 0.551288 H\n0.642793 0.056607 0.051288 H\n0.142793 0.943393 0.448712 H\n0.357207 0.943393 0.948712 H\n0.425138 0.657278 0.245300 H\n0.074862 0.657278 0.745300 H\n0.574862 0.342722 0.754700 H\n0.925138 0.342722 0.254700 H\n0.316870 0.483086 0.266958 H\n0.183130 0.483086 0.766958 H\n0.683130 0.516914 0.733042 H\n0.816870 0.516914 0.233042 H\n0.463260 0.413936 0.260697 H\n0.036740 0.413936 0.760697 H\n0.536740 0.586064 0.739303 H\n0.963260 0.586064 0.239303 H\n0.207876 0.776921 0.149783 H\n0.292124 0.776921 0.649783 H\n0.792124 0.223079 0.850217 H\n0.707876 0.223079 0.350217 H\n0.197574 0.634542 0.105139 H\n0.302426 0.634542 0.605139 H\n0.802426 0.365458 0.894861 H\n0.697574 0.365458 0.394861 H\n0.140054 0.551459 0.167992 H\n0.359946 0.551459 0.667992 H\n0.859946 0.448541 0.832008 H\n0.640054 0.448541 0.332008 H\n0.579303 0.577716 0.139237 H\n0.920697 0.577716 0.639237 H\n0.420697 0.422284 0.860763 H\n0.079303 0.422284 0.360763 H\n0.485737 0.630383 0.085161 H\n0.014263 0.630383 0.585161 H\n0.514263 0.369617 0.914839 H\n0.985737 0.369617 0.414839 H\n0.500090 0.793105 0.124152 H\n0.999910 0.793105 0.624152 H\n0.499910 0.206895 0.875848 H\n0.000090 0.206895 0.375848 H\n0.587327 0.905948 0.599102 C\n0.912673 0.905948 0.099102 C\n0.412673 0.094052 0.400898 C\n0.087327 0.094052 0.900898 C\n0.607435 0.342749 0.625859 C\n0.892565 0.342749 0.125859 C\n0.392565 0.657251 0.374141 C\n0.107435 0.657251 0.874141 C\n0.835369 0.176644 0.565833 C\n0.664631 0.176644 0.065833 C\n0.164631 0.823356 0.434167 C\n0.335369 0.823356 0.934167 C\n0.396869 0.516842 0.246010 C\n0.103131 0.516842 0.746010 C\n0.603131 0.483158 0.753990 C\n0.896869 0.483158 0.253990 C\n0.206222 0.635787 0.144926 C\n0.293778 0.635787 0.644926 C\n0.793778 0.364213 0.855074 C\n0.706222 0.364213 0.355074 C\n0.500419 0.647318 0.123187 C\n0.999581 0.647318 0.623187 C\n0.499581 0.352682 0.876813 C\n0.000419 0.352682 0.376813 C\n0.844356 0.755985 0.768039 F\n0.655644 0.755985 0.268039 F\n0.155644 0.244015 0.231961 F\n0.344356 0.244015 0.731961 F\n0.758396 0.983746 0.682144 F\n0.741604 0.983746 0.182144 F\n0.241604 0.016254 0.317856 F\n0.258396 0.016254 0.817856 F\n0.970820 0.044513 0.784540 F\n0.529180 0.044513 0.284540 F\n0.029180 0.955487 0.215460 F\n0.470820 0.955487 0.715460 F\n0.884196 0.270033 0.698512 F\n0.615804 0.270033 0.198512 F\n0.115804 0.729967 0.301488 F\n0.384196 0.729967 0.801488 F\n0.741195 0.081638 0.771571 F\n0.758805 0.081638 0.271571 F\n0.258805 0.918362 0.228429 F\n0.241195 0.918362 0.728429 F\n0.986168 0.947221 0.695023 F\n0.513832 0.947221 0.195023 F\n0.013832 0.052779 0.304977 F\n0.486168 0.052779 0.804977 F\n0.308499 0.008457 0.519946 F\n0.191501 0.008457 0.019946 F\n0.691501 0.991543 0.480054 F\n0.808499 0.991543 0.980054 F\n0.171157 0.433230 0.553788 F\n0.328843 0.433230 0.053788 F\n0.828843 0.566770 0.446212 F\n0.671157 0.566770 0.946212 F\n0.167147 0.060498 0.595104 F\n0.332853 0.060498 0.095104 F\n0.832853 0.939502 0.404896 F\n0.667147 0.939502 0.904896 F\n0.107565 0.194587 0.496606 F\n0.392435 0.194587 0.996606 F\n0.892435 0.805413 0.503394 F\n0.607565 0.805413 0.003394 F\n0.307857 0.380017 0.478738 F\n0.192143 0.380017 0.978738 F\n0.692143 0.619983 0.521262 F\n0.807857 0.619983 0.021262 F\n0.370705 0.243952 0.576393 F\n0.129295 0.243952 0.076393 F\n0.629295 0.756048 0.423607 F\n0.870705 0.756048 0.923607 F\n","nsites":168,"nelements":4,"elements":["Sb","H","C","F"],"chemical_system":"C-F-H-Sb","density":2.3200728950664633,"density_atomic":0.07269375191057897,"volume":2311.065195900988,"volume_molar":8.284261854317098,"formula_full":"Sb16 H80 C24 F48","formula_reduced":"Sb2H10(CF2)3","formula_anonymous":"A2B3C6D10","energy":-823.29043776,"energy_per_atom":-4.90053832,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-801.11443776,"band_gap":5.606400000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0039888,"is_theoretical":false,"updated_at":"2021-11-28T01:37:48.723000Z","spacegroup":14},{"id":"mp-605088","created_at":"2022-09-04T14:42:09.599538Z","structure_string":"Ga6 H114 C48\n1.0\n17.462374 -5.193423 0.000000\n17.462374 5.193423 0.000000\n15.917817 0.000000 8.861674\nGa H C\n6 114 48\ndirect\n0.059537 0.250000 0.440463 Ga\n0.250000 0.440463 0.059537 Ga\n0.940463 0.750000 0.559537 Ga\n0.440463 0.059537 0.250000 Ga\n0.559537 0.940463 0.750000 Ga\n0.750000 0.559537 0.940463 Ga\n0.329762 0.427322 0.175174 H\n0.207498 0.769344 0.821807 H\n0.321807 0.269344 0.707498 H\n0.221163 0.519487 0.442283 H\n0.792502 0.230656 0.178193 H\n0.792693 0.861098 0.431293 H\n0.927322 0.829762 0.675174 H\n0.998476 0.934778 0.232915 H\n0.934778 0.232915 0.998476 H\n0.477405 0.618116 0.822677 H\n0.427322 0.175174 0.329762 H\n0.977405 0.322677 0.118116 H\n0.881703 0.205034 0.813036 H\n0.821807 0.207498 0.769344 H\n0.250000 0.113022 0.386978 H\n0.931293 0.361098 0.292693 H\n0.232915 0.998476 0.934778 H\n0.750000 0.886978 0.613022 H\n0.730656 0.292502 0.678193 H\n0.075180 0.967812 0.580028 H\n0.019487 0.721163 0.942283 H\n0.670238 0.572678 0.824826 H\n0.177323 0.522595 0.381884 H\n0.292693 0.931293 0.361098 H\n0.572678 0.824826 0.670238 H\n0.313036 0.705034 0.381703 H\n0.032188 0.419972 0.924820 H\n0.442283 0.221163 0.519487 H\n0.077321 0.280031 0.618621 H\n0.324826 0.072678 0.170238 H\n0.278837 0.057717 0.980513 H\n0.686964 0.294966 0.618297 H\n0.822677 0.477405 0.618116 H\n0.577321 0.118621 0.780031 H\n0.829762 0.675174 0.927322 H\n0.219969 0.422679 0.881379 H\n0.677323 0.881884 0.022595 H\n0.980513 0.278837 0.057717 H\n0.618116 0.822677 0.477405 H\n0.575180 0.080028 0.467812 H\n0.292502 0.678193 0.730656 H\n0.501524 0.267085 0.565222 H\n0.881884 0.022595 0.677323 H\n0.942283 0.019487 0.721163 H\n0.280031 0.618621 0.077321 H\n0.118116 0.977405 0.322677 H\n0.707307 0.068707 0.638902 H\n0.886978 0.613022 0.750000 H\n0.178193 0.792502 0.230656 H\n0.138902 0.568707 0.207307 H\n0.967812 0.580028 0.075180 H\n0.580028 0.075180 0.967812 H\n0.924820 0.032188 0.419972 H\n0.001524 0.065222 0.767085 H\n0.422679 0.881379 0.219969 H\n0.794966 0.186964 0.118297 H\n0.467812 0.575180 0.080028 H\n0.434778 0.498476 0.732915 H\n0.557717 0.778837 0.480513 H\n0.080028 0.467812 0.575180 H\n0.065222 0.767085 0.001524 H\n0.618297 0.686964 0.294966 H\n0.675174 0.927322 0.829762 H\n0.322677 0.118116 0.977405 H\n0.186964 0.118297 0.794966 H\n0.207307 0.138902 0.568707 H\n0.113022 0.386978 0.250000 H\n0.419972 0.924820 0.032188 H\n0.769344 0.821807 0.207498 H\n0.613022 0.750000 0.886978 H\n0.381884 0.177323 0.522595 H\n0.568707 0.207307 0.138902 H\n0.705034 0.381703 0.313036 H\n0.780031 0.577321 0.118621 H\n0.431293 0.792693 0.861098 H\n0.381703 0.313036 0.705034 H\n0.175174 0.329762 0.427322 H\n0.721163 0.942283 0.019487 H\n0.205034 0.813036 0.881703 H\n0.022595 0.677323 0.881884 H\n0.707498 0.321807 0.269344 H\n0.498476 0.732915 0.434778 H\n0.618621 0.077321 0.280031 H\n0.294966 0.618297 0.686964 H\n0.068707 0.638902 0.707307 H\n0.922679 0.719969 0.381379 H\n0.813036 0.881703 0.205034 H\n0.057717 0.980513 0.278837 H\n0.381379 0.922679 0.719969 H\n0.269344 0.707498 0.321807 H\n0.230656 0.178193 0.792502 H\n0.480513 0.557717 0.778837 H\n0.386978 0.250000 0.113022 H\n0.732915 0.434778 0.498476 H\n0.519487 0.442283 0.221163 H\n0.767085 0.001524 0.065222 H\n0.919972 0.532188 0.424820 H\n0.565222 0.501524 0.267085 H\n0.678193 0.730656 0.292502 H\n0.824826 0.670238 0.572678 H\n0.118621 0.780031 0.577321 H\n0.719969 0.381379 0.922679 H\n0.118297 0.794966 0.186964 H\n0.072678 0.170238 0.324826 H\n0.361098 0.292693 0.931293 H\n0.638902 0.707307 0.068707 H\n0.267085 0.565222 0.501524 H\n0.881379 0.219969 0.422679 H\n0.170238 0.324826 0.072678 H\n0.861098 0.431293 0.792693 H\n0.532188 0.424820 0.919972 H\n0.778837 0.480513 0.557717 H\n0.522595 0.381884 0.177323 H\n0.424820 0.919972 0.532188 H\n0.927422 0.211637 0.507867 C\n0.314602 0.579370 0.760970 C\n0.427422 0.007867 0.711637 C\n0.372209 0.040602 0.953712 C\n0.814602 0.260970 0.079370 C\n0.257402 0.544002 0.121079 C\n0.955998 0.242598 0.378921 C\n0.260970 0.079370 0.814602 C\n0.711637 0.427422 0.007867 C\n0.992133 0.288363 0.572578 C\n0.288363 0.572578 0.992133 C\n0.455998 0.878921 0.742598 C\n0.544002 0.121079 0.257402 C\n0.953712 0.372209 0.040602 C\n0.378921 0.955998 0.242598 C\n0.872209 0.453712 0.540602 C\n0.788363 0.492133 0.072578 C\n0.959398 0.046288 0.627791 C\n0.878921 0.742598 0.455998 C\n0.239030 0.685398 0.420630 C\n0.211637 0.507867 0.927422 C\n0.760970 0.314602 0.579370 C\n0.540602 0.872209 0.453712 C\n0.046288 0.627791 0.959398 C\n0.459398 0.127791 0.546288 C\n0.579370 0.760970 0.314602 C\n0.546288 0.459398 0.127791 C\n0.044002 0.757402 0.621079 C\n0.185398 0.739030 0.920630 C\n0.127791 0.546288 0.459398 C\n0.685398 0.420630 0.239030 C\n0.007867 0.711637 0.427422 C\n0.920630 0.185398 0.739030 C\n0.742598 0.455998 0.878921 C\n0.621079 0.044002 0.757402 C\n0.507867 0.927422 0.211637 C\n0.453712 0.540602 0.872209 C\n0.739030 0.920630 0.185398 C\n0.627791 0.959398 0.046288 C\n0.420630 0.239030 0.685398 C\n0.040602 0.953712 0.372209 C\n0.079370 0.814602 0.260970 C\n0.121079 0.257402 0.544002 C\n0.572578 0.992133 0.288363 C\n0.757402 0.621079 0.044002 C\n0.242598 0.378921 0.955998 C\n0.492133 0.072578 0.788363 C\n0.072578 0.788363 0.492133 C\n","nsites":168,"nelements":3,"elements":["Ga","H","C"],"chemical_system":"C-Ga-H","density":1.1465002379921703,"density_atomic":0.10452171674514728,"volume":1607.3214756855768,"volume_molar":5.761616769731822,"formula_full":"Ga6 H114 C48","formula_reduced":"GaH19C8","formula_anonymous":"AB8C19","energy":-868.6775018,"energy_per_atom":-5.17069941547619,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-868.6775018,"band_gap":3.4711,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001372,"is_theoretical":false,"updated_at":"2021-11-28T01:35:37.940000Z","spacegroup":167},{"id":"mp-1246405","created_at":"2022-09-04T14:43:51.564990Z","structure_string":"Sr24 Sb48 N96\n1.0\n19.787323 0.000057 0.000000\n-9.893612 17.136364 0.000000\n0.000000 0.000000 8.905593\nSr Sb N\n24 48 96\ndirect\n0.999983 0.999984 0.323060 Sr\n0.000017 0.000016 0.823060 Sr\n0.329200 0.153359 0.306295 Sr\n0.824160 0.670801 0.306302 Sr\n0.846643 0.175840 0.306294 Sr\n0.670800 0.846641 0.806295 Sr\n0.175840 0.329199 0.806302 Sr\n0.153357 0.824160 0.806294 Sr\n0.129637 0.329741 0.303780 Sr\n0.200100 0.870368 0.303768 Sr\n0.670278 0.799911 0.303752 Sr\n0.870363 0.670259 0.803780 Sr\n0.799900 0.129632 0.803768 Sr\n0.329722 0.200089 0.803752 Sr\n0.666655 0.333339 0.321725 Sr\n0.333345 0.666661 0.821725 Sr\n0.666670 0.333337 0.815304 Sr\n0.333330 0.666663 0.315304 Sr\n0.475650 0.468826 0.816456 Sr\n0.993171 0.524348 0.816449 Sr\n0.531176 0.006829 0.816456 Sr\n0.524350 0.531174 0.316456 Sr\n0.006829 0.475652 0.316449 Sr\n0.468824 0.993171 0.316456 Sr\n0.986237 0.151612 0.598627 Sb\n0.165371 0.013764 0.598631 Sb\n0.848387 0.834628 0.598631 Sb\n0.013763 0.848388 0.098627 Sb\n0.834629 0.986236 0.098631 Sb\n0.151613 0.165372 0.098631 Sb\n0.161106 0.175603 0.495007 Sb\n0.014493 0.838895 0.495010 Sb\n0.824400 0.985507 0.495024 Sb\n0.838894 0.824397 0.995007 Sb\n0.985507 0.161105 0.995010 Sb\n0.175600 0.014493 0.995024 Sb\n0.338599 0.337730 0.518693 Sb\n0.999128 0.661401 0.518692 Sb\n0.662270 0.000871 0.518693 Sb\n0.661401 0.662270 0.018693 Sb\n0.000872 0.338599 0.018692 Sb\n0.337730 0.999129 0.018693 Sb\n0.325432 0.323342 0.114081 Sb\n0.997913 0.674569 0.114079 Sb\n0.676658 0.002087 0.114079 Sb\n0.674568 0.676658 0.614081 Sb\n0.002087 0.325431 0.614079 Sb\n0.323342 0.997913 0.614079 Sb\n0.504579 0.343178 0.139079 Sb\n0.838599 0.495420 0.139071 Sb\n0.656822 0.161402 0.139069 Sb\n0.495421 0.656822 0.639079 Sb\n0.161401 0.504580 0.639071 Sb\n0.343178 0.838598 0.639069 Sb\n0.516875 0.356822 0.535470 Sb\n0.839944 0.483122 0.535456 Sb\n0.643177 0.160057 0.535459 Sb\n0.483125 0.643178 0.035470 Sb\n0.160056 0.516878 0.035456 Sb\n0.356823 0.839943 0.035459 Sb\n0.309505 0.486521 0.141429 Sb\n0.177019 0.690497 0.141426 Sb\n0.513482 0.822984 0.141437 Sb\n0.690495 0.513479 0.641429 Sb\n0.822981 0.309503 0.641426 Sb\n0.486518 0.177016 0.641437 Sb\n0.322757 0.500936 0.532699 Sb\n0.178178 0.677245 0.532696 Sb\n0.499067 0.821823 0.532701 Sb\n0.677243 0.499064 0.032699 Sb\n0.821822 0.322755 0.032696 Sb\n0.500933 0.178177 0.032701 Sb\n0.606589 0.382495 0.028976 N\n0.775910 0.393412 0.028966 N\n0.617502 0.224089 0.028958 N\n0.393411 0.617505 0.528976 N\n0.224090 0.606588 0.528966 N\n0.382498 0.775911 0.528958 N\n0.203796 0.104689 0.458439 N\n0.900895 0.796230 0.458397 N\n0.895320 0.099106 0.458422 N\n0.796204 0.895311 0.958439 N\n0.099105 0.203770 0.958397 N\n0.104680 0.900894 0.958422 N\n0.057101 0.106061 0.592788 N\n0.048958 0.942899 0.592802 N\n0.893933 0.951042 0.592842 N\n0.942899 0.893939 0.092788 N\n0.951042 0.057101 0.092802 N\n0.106067 0.048958 0.092842 N\n0.263471 0.214424 0.034427 N\n0.950958 0.736532 0.034426 N\n0.785577 0.049042 0.034429 N\n0.736529 0.785576 0.534427 N\n0.049042 0.263468 0.534426 N\n0.214423 0.950958 0.534429 N\n0.234187 0.271436 0.618967 N\n0.037238 0.765810 0.618974 N\n0.728567 0.962758 0.618977 N\n0.765813 0.728564 0.118967 N\n0.962762 0.234190 0.118974 N\n0.271433 0.037242 0.118977 N\n0.559426 0.283132 0.553953 N\n0.723704 0.440573 0.553929 N\n0.716865 0.276297 0.553936 N\n0.440574 0.716868 0.053953 N\n0.276296 0.559427 0.053929 N\n0.283135 0.723703 0.053936 N\n0.133102 0.202210 0.295749 N\n0.069107 0.866914 0.295756 N\n0.797830 0.930893 0.295768 N\n0.866898 0.797790 0.795749 N\n0.930893 0.133086 0.795756 N\n0.202170 0.069107 0.795768 N\n0.411202 0.312555 0.630207 N\n0.901347 0.588795 0.630194 N\n0.687447 0.098653 0.630195 N\n0.588798 0.687445 0.130207 N\n0.098653 0.411205 0.130194 N\n0.312553 0.901347 0.130195 N\n0.390091 0.452281 0.568017 N\n0.062190 0.609912 0.568021 N\n0.547720 0.937811 0.568024 N\n0.609909 0.547719 0.068017 N\n0.937810 0.390088 0.068021 N\n0.452280 0.062189 0.068024 N\n0.430415 0.364215 0.017079 N\n0.933796 0.569589 0.017066 N\n0.635792 0.066202 0.017070 N\n0.569585 0.635785 0.517079 N\n0.066204 0.430411 0.517066 N\n0.364208 0.933798 0.517070 N\n0.539970 0.405985 0.330831 N\n0.866031 0.460045 0.330822 N\n0.594015 0.133970 0.330821 N\n0.460030 0.594015 0.830831 N\n0.133969 0.539955 0.830822 N\n0.405985 0.866030 0.830821 N\n0.271279 0.381247 0.041784 N\n0.109968 0.728720 0.041776 N\n0.618756 0.890030 0.041788 N\n0.728721 0.618753 0.541784 N\n0.890032 0.271280 0.541776 N\n0.381244 0.109970 0.541788 N\n0.877088 0.424768 0.663743 N\n0.547675 0.122906 0.663737 N\n0.575230 0.452322 0.663750 N\n0.122912 0.575232 0.163743 N\n0.452325 0.877094 0.163737 N\n0.424770 0.547678 0.163750 N\n0.260698 0.456160 0.345468 N\n0.195454 0.739303 0.345466 N\n0.543858 0.804554 0.345476 N\n0.739302 0.543840 0.845468 N\n0.804546 0.260697 0.845466 N\n0.456142 0.195446 0.845476 N\n0.340712 0.294833 0.319926 N\n0.954127 0.659303 0.319924 N\n0.705182 0.045867 0.319927 N\n0.659288 0.705167 0.819926 N\n0.045873 0.340697 0.819924 N\n0.294818 0.954133 0.819927 N\n0.238016 0.468913 0.688207 N\n0.230895 0.761987 0.688201 N\n0.531083 0.769103 0.688218 N\n0.761984 0.531087 0.188207 N\n0.769105 0.238013 0.188201 N\n0.468917 0.230897 0.188218 N\n","nsites":168,"nelements":3,"elements":["Sr","Sb","N"],"chemical_system":"N-Sb-Sr","density":5.109626563306252,"density_atomic":0.05563396263349373,"volume":3019.738160784141,"volume_molar":10.824576346777151,"formula_full":"Sr24 Sb48 N96","formula_reduced":"Sr(SbN2)2","formula_anonymous":"AB2C4","energy":-1049.44424559,"energy_per_atom":-6.246691938035714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1014.78824559,"band_gap":1.1401999999999997,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0369577,"is_theoretical":true,"updated_at":"2021-11-28T01:36:22.535000Z","spacegroup":173},{"id":"mp-680183","created_at":"2022-09-04T14:42:51.529241Z","structure_string":"Te20 As8 Br16 O20 F104\n1.0\n9.989955 0.000000 0.000000\n-4.692887 17.465972 0.000000\n-4.509079 -5.892354 17.768070\nTe As Br O F\n20 8 16 20 104\ndirect\n0.786142 0.443349 0.110873 Te\n0.213858 0.556651 0.889127 Te\n0.950059 0.285803 0.604644 Te\n0.049941 0.714197 0.395356 Te\n0.663730 0.646526 0.546542 Te\n0.634747 0.715300 0.102091 Te\n0.336270 0.353474 0.453458 Te\n0.806508 0.363395 0.378180 Te\n0.365253 0.284700 0.897909 Te\n0.549793 0.823795 0.406918 Te\n0.450207 0.176205 0.593082 Te\n0.077952 0.789185 0.862408 Te\n0.922048 0.210815 0.137592 Te\n0.475576 0.099570 0.335514 Te\n0.359288 0.113538 0.061186 Te\n0.168648 0.748779 0.109415 Te\n0.640712 0.886462 0.938814 Te\n0.831352 0.251221 0.890585 Te\n0.193492 0.636605 0.621820 Te\n0.524424 0.900430 0.664486 Te\n0.628597 0.530231 0.782109 As\n0.620022 0.277521 0.486760 As\n0.630258 0.235332 0.014309 As\n0.083085 0.006421 0.737012 As\n0.369742 0.764668 0.985691 As\n0.379978 0.722479 0.513240 As\n0.916915 0.993579 0.262988 As\n0.371403 0.469769 0.217891 As\n0.590377 0.570604 0.264270 Br\n0.404226 0.348637 0.209164 Br\n0.976220 0.903871 0.319239 Br\n0.745824 0.530759 0.898592 Br\n0.328665 0.043326 0.788959 Br\n0.999536 0.117032 0.351678 Br\n0.970978 0.003056 0.826846 Br\n0.595774 0.651363 0.790836 Br\n0.023780 0.096129 0.680761 Br\n0.409623 0.429396 0.735730 Br\n0.760369 0.507120 0.703104 Br\n0.029022 0.996944 0.173154 Br\n0.239631 0.492880 0.296896 Br\n0.671335 0.956674 0.211041 Br\n0.000464 0.882968 0.648322 Br\n0.254176 0.469241 0.101408 Br\n0.209143 0.728842 0.016240 O\n0.190844 0.728139 0.486773 O\n0.444599 0.833389 0.562284 O\n0.809156 0.271861 0.513227 O\n0.753515 0.240116 0.105789 O\n0.591837 0.254614 0.572852 O\n0.359883 0.658480 0.943339 O\n0.790857 0.271158 0.983760 O\n0.640117 0.341520 0.056661 O\n0.408163 0.745386 0.427148 O\n0.555401 0.166611 0.437716 O\n0.474740 0.210143 0.051848 O\n0.352744 0.700725 0.599617 O\n0.525260 0.789857 0.948152 O\n0.497053 0.767407 0.075609 O\n0.502947 0.232593 0.924391 O\n0.647256 0.299275 0.400383 O\n0.246485 0.759884 0.894211 O\n0.427665 0.273410 0.451545 O\n0.572335 0.726590 0.548455 O\n0.790415 0.811863 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