{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=total_magnetization&page=53","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=total_magnetization&page=51","results":[{"id":"mp-603572","created_at":"2022-09-04T14:40:12.881974Z","structure_string":"Na16 Mo8 H32 O48\n1.0\n8.276008 0.000000 0.000000\n0.000000 11.397569 0.000000\n0.000000 0.000000 14.414278\nNa Mo H O\n16 8 32 48\ndirect\n0.822911 0.983475 0.162060 Na\n0.677089 0.483475 0.162060 Na\n0.183986 0.521514 0.569442 Na\n0.316014 0.478486 0.069442 Na\n0.822911 0.516525 0.662060 Na\n0.177089 0.483475 0.337940 Na\n0.683986 0.521514 0.930558 Na\n0.816014 0.021514 0.930558 Na\n0.816014 0.478486 0.430558 Na\n0.683986 0.978486 0.430558 Na\n0.322911 0.983475 0.337940 Na\n0.322911 0.516525 0.837940 Na\n0.316014 0.021514 0.569442 Na\n0.177089 0.016525 0.837940 Na\n0.183986 0.978486 0.069442 Na\n0.677089 0.016525 0.662060 Na\n0.970876 0.727808 0.045715 Mo\n0.029124 0.272192 0.954285 Mo\n0.470876 0.727808 0.454285 Mo\n0.029124 0.227808 0.454285 Mo\n0.529124 0.227808 0.045715 Mo\n0.970876 0.772192 0.545715 Mo\n0.529124 0.272192 0.545715 Mo\n0.470876 0.772192 0.954285 Mo\n0.019453 0.950947 0.663323 H\n0.513668 0.916176 0.180441 H\n0.122741 0.742014 0.901878 H\n0.519453 0.549053 0.336677 H\n0.980547 0.049053 0.336677 H\n0.480547 0.450947 0.663323 H\n0.120394 0.750839 0.194526 H\n0.379606 0.250839 0.194526 H\n0.620394 0.750839 0.305474 H\n0.986332 0.416176 0.180441 H\n0.377259 0.257986 0.401878 H\n0.986332 0.083824 0.680441 H\n0.486332 0.083824 0.819559 H\n0.620394 0.749161 0.805474 H\n0.379606 0.249161 0.694526 H\n0.513668 0.583824 0.680441 H\n0.980547 0.450947 0.836677 H\n0.480547 0.049053 0.163323 H\n0.013668 0.916176 0.319559 H\n0.122741 0.757986 0.401878 H\n0.877259 0.257986 0.098122 H\n0.877259 0.242014 0.598122 H\n0.486332 0.416176 0.319559 H\n0.879606 0.250839 0.305474 H\n0.019453 0.549053 0.163323 H\n0.622741 0.742014 0.598122 H\n0.879606 0.249161 0.805474 H\n0.013668 0.583824 0.819559 H\n0.377259 0.242014 0.901878 H\n0.120394 0.749161 0.694526 H\n0.519453 0.950947 0.836677 H\n0.622741 0.757986 0.098122 H\n0.066884 0.115595 0.974083 O\n0.452176 0.307934 0.165376 O\n0.047824 0.692066 0.665376 O\n0.933116 0.615595 0.525917 O\n0.021209 0.697469 0.912794 O\n0.379586 0.120643 0.085722 O\n0.120414 0.620643 0.085722 O\n0.475719 0.493337 0.288220 O\n0.478791 0.302531 0.412794 O\n0.978791 0.197469 0.587206 O\n0.521209 0.697469 0.587206 O\n0.978791 0.302531 0.087206 O\n0.933116 0.884405 0.025917 O\n0.620414 0.879357 0.914278 O\n0.952176 0.307934 0.334624 O\n0.975719 0.493337 0.211780 O\n0.280812 0.657498 0.432972 O\n0.975719 0.006663 0.711780 O\n0.620414 0.620643 0.414278 O\n0.524281 0.506663 0.711780 O\n0.024281 0.506663 0.788220 O\n0.280812 0.842502 0.932972 O\n0.433116 0.884405 0.474083 O\n0.219188 0.157498 0.432972 O\n0.566884 0.384405 0.025917 O\n0.879586 0.379357 0.914278 O\n0.879586 0.120643 0.414278 O\n0.521209 0.802531 0.087206 O\n0.566884 0.115595 0.525917 O\n0.120414 0.879357 0.585722 O\n0.433116 0.615595 0.974083 O\n0.379586 0.379357 0.585722 O\n0.475719 0.006663 0.788220 O\n0.219188 0.342502 0.932972 O\n0.780812 0.842502 0.567028 O\n0.478791 0.197469 0.912794 O\n0.547824 0.807934 0.334624 O\n0.547824 0.692066 0.834624 O\n0.452176 0.192066 0.665376 O\n0.066884 0.384405 0.474083 O\n0.719188 0.157498 0.067028 O\n0.952176 0.192066 0.834624 O\n0.047824 0.807934 0.165376 O\n0.780812 0.657498 0.067028 O\n0.524281 0.993337 0.211780 O\n0.021209 0.802531 0.412794 O\n0.024281 0.993337 0.288220 O\n0.719188 0.342502 0.567028 O\n","nsites":104,"nelements":4,"elements":["Na","Mo","H","O"],"chemical_system":"H-Mo-Na-O","density":2.3639296842191784,"density_atomic":0.07649046720917416,"volume":1359.646551976171,"volume_molar":7.873060499854959,"formula_full":"Na16 Mo8 H32 O48","formula_reduced":"Na2Mo(H2O3)2","formula_anonymous":"AB2C4D6","energy":-620.66185848,"energy_per_atom":-5.967902485384615,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-562.06985848,"band_gap":3.1622,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:49.383000Z","spacegroup":61},{"id":"mp-1199191","created_at":"2022-09-04T14:39:20.226753Z","structure_string":"Sb8 S16 O60\n1.0\n7.202885 0.000000 0.000000\n0.000000 9.453501 0.000000\n0.000000 6.138877 17.825513\nSb S O\n8 16 60\ndirect\n0.666736 0.525697 0.356954 Sb\n0.833264 0.525697 0.856954 Sb\n0.333264 0.474303 0.643046 Sb\n0.166736 0.474303 0.143046 Sb\n0.153837 0.964124 0.643300 Sb\n0.346163 0.964124 0.143300 Sb\n0.846163 0.035876 0.356700 Sb\n0.653837 0.035876 0.856700 Sb\n0.458457 0.265242 0.509341 S\n0.041543 0.265242 0.009341 S\n0.541543 0.734758 0.490659 S\n0.958457 0.734758 0.990659 S\n0.747346 0.366013 0.222127 S\n0.752654 0.366013 0.722127 S\n0.252654 0.633987 0.777873 S\n0.247346 0.633987 0.277873 S\n0.058852 0.256038 0.484311 S\n0.441148 0.256038 0.984311 S\n0.941148 0.743962 0.515689 S\n0.558852 0.743962 0.015689 S\n0.739266 0.862096 0.728581 S\n0.760734 0.862096 0.228581 S\n0.260734 0.137904 0.271419 S\n0.239266 0.137904 0.771419 S\n0.812197 0.211578 0.233347 O\n0.687803 0.211578 0.733347 O\n0.187803 0.788422 0.766653 O\n0.312197 0.788422 0.266653 O\n0.894896 0.477497 0.180153 O\n0.605104 0.477497 0.680153 O\n0.105104 0.522503 0.819847 O\n0.394896 0.522503 0.319847 O\n0.554160 0.300965 0.435781 O\n0.945840 0.300965 0.935781 O\n0.445840 0.699035 0.564219 O\n0.054160 0.699035 0.064219 O\n0.744520 0.376986 0.302243 O\n0.755480 0.376986 0.802243 O\n0.255480 0.623014 0.697757 O\n0.244520 0.623014 0.197757 O\n0.533833 0.344406 0.557072 O\n0.966167 0.344406 0.057072 O\n0.466167 0.655594 0.442928 O\n0.033833 0.655594 0.942928 O\n0.423420 0.106668 0.542866 O\n0.076580 0.106668 0.042866 O\n0.576580 0.893332 0.457134 O\n0.923420 0.893332 0.957134 O\n0.572390 0.406292 0.184859 O\n0.927610 0.406292 0.684859 O\n0.427610 0.593708 0.815141 O\n0.072390 0.593708 0.315141 O\n0.251369 0.347862 0.486289 O\n0.248631 0.347862 0.986289 O\n0.748631 0.652138 0.513711 O\n0.751369 0.652138 0.013711 O\n0.926213 0.375524 0.461862 O\n0.573787 0.375524 0.961862 O\n0.073787 0.624476 0.538138 O\n0.426213 0.624476 0.038138 O\n0.086291 0.165365 0.436152 O\n0.413709 0.165365 0.936152 O\n0.913709 0.834635 0.563848 O\n0.586291 0.834635 0.063848 O\n0.028948 0.163297 0.565017 O\n0.471052 0.163297 0.065017 O\n0.971052 0.836703 0.434983 O\n0.528948 0.836703 0.934983 O\n0.887718 0.970129 0.685902 O\n0.612282 0.970129 0.185902 O\n0.112282 0.029871 0.314098 O\n0.387718 0.029871 0.814098 O\n0.805249 0.705883 0.741959 O\n0.694751 0.705883 0.241959 O\n0.194751 0.294117 0.258041 O\n0.305249 0.294117 0.758041 O\n0.735017 0.877446 0.807583 O\n0.764983 0.877446 0.307583 O\n0.264983 0.122554 0.192417 O\n0.235017 0.122554 0.692417 O\n0.564611 0.897571 0.690844 O\n0.935389 0.897571 0.190844 O\n0.435389 0.102429 0.309156 O\n0.064611 0.102429 0.809156 O\n","nsites":84,"nelements":3,"elements":["Sb","S","O"],"chemical_system":"O-S-Sb","density":3.347779011022635,"density_atomic":0.0692050988587396,"volume":1213.7833972531348,"volume_molar":8.70187436953497,"formula_full":"Sb8 S16 O60","formula_reduced":"Sb2S4O15","formula_anonymous":"A2B4C15","energy":-543.68732668,"energy_per_atom":-6.472468174761905,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-502.46732668,"band_gap":4.4244,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:31.530000Z","spacegroup":14},{"id":"mp-1233274","created_at":"2022-09-04T14:39:16.618064Z","structure_string":"Rb2 Ba8 Ca1 Sb6 O2\n1.0\n8.628227 -0.362976 -3.897241\n-2.303270 8.100155 -3.847982\n0.005252 0.116575 10.481182\nRb Ba Ca Sb O\n2 8 1 6 2\ndirect\n0.004023 0.007531 0.000075 Rb\n0.412672 0.412425 0.813199 Rb\n0.507862 0.722325 0.693136 Ba\n0.197720 0.987446 0.701439 Ba\n0.827233 0.038844 0.325834 Ba\n0.992663 0.545517 0.741157 Ba\n0.512950 0.300494 0.326332 Ba\n0.759015 0.206102 0.739476 Ba\n0.025877 0.487532 0.292951 Ba\n0.272541 0.823989 0.292633 Ba\n0.589407 0.593189 0.171396 Ca\n0.825264 0.641277 0.022549 Sb\n0.618643 0.144945 0.012831 Sb\n0.208297 0.396029 0.024005 Sb\n0.406036 0.878861 0.012746 Sb\n0.219716 0.227055 0.428940 Sb\n0.776251 0.773196 0.537503 Sb\n0.771596 0.271484 0.532356 O\n0.257949 0.763188 0.506442 O\n","nsites":19,"nelements":5,"elements":["Rb","Ba","Ca","Sb","O"],"chemical_system":"Ba-Ca-O-Rb-Sb","density":4.721022122730373,"density_atomic":0.02606821539564864,"volume":728.856951334364,"volume_molar":23.101469236000053,"formula_full":"Rb2 Ba8 Ca1 Sb6 O2","formula_reduced":"Rb2Ba8Ca(Sb3O)2","formula_anonymous":"AB2C2D6E8","energy":-79.21344337,"energy_per_atom":-4.169128598421052,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.68744337,"band_gap":0.1108000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.694000Z","spacegroup":5},{"id":"mp-1522379","created_at":"2022-09-04T14:39:35.457708Z","structure_string":"Na1 Ca1 Sn1 Sb1 O6\n1.0\n-0.000000 -4.013593 -4.013593\n4.013593 0.000000 -4.013593\n4.013593 -4.013593 0.000000\nNa Ca Sn Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Sn\n-0.000000 -0.000000 -0.000000 Sb\n0.754125 0.245875 0.245875 O\n0.245875 0.754125 0.754125 O\n0.754125 0.245875 0.754125 O\n0.245875 0.754125 0.245875 O\n0.754125 0.754125 0.245875 O\n0.245875 0.245875 0.754125 O\n","nsites":10,"nelements":5,"elements":["Na","Ca","Sn","Sb","O"],"chemical_system":"Ca-Na-O-Sb-Sn","density":5.130657657559794,"density_atomic":0.07733391782623976,"volume":129.3093674947237,"volume_molar":7.7871921263979464,"formula_full":"Na1 Ca1 Sn1 Sb1 O6","formula_reduced":"NaCaSnSbO6","formula_anonymous":"ABCDE6","energy":-63.22971946,"energy_per_atom":-6.322971946,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-59.10771946,"band_gap":0.2520999999999995,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.739000Z","spacegroup":216},{"id":"mp-995224","created_at":"2022-09-04T14:39:14.522497Z","structure_string":"C8 O16\n1.0\n-4.664714 4.664714 3.879998\n4.664714 -4.664714 3.879998\n4.664714 4.664714 -3.879998\nC O\n8 16\ndirect\n0.241916 0.376449 0.488829 C\n0.887620 0.753087 0.511171 C\n0.626449 0.637620 0.634533 C\n0.003087 0.991916 0.365467 C\n0.008084 0.373551 0.011171 C\n0.362380 0.996913 0.988829 C\n0.623551 0.112380 0.865467 C\n0.246913 0.758084 0.134533 C\n0.426902 0.544056 0.478242 O\n0.065814 0.948660 0.521758 O\n0.794056 0.815814 0.617154 O\n0.198660 0.176902 0.382846 O\n0.823098 0.205944 0.021758 O\n0.184186 0.801340 0.978242 O\n0.455944 0.934186 0.882846 O\n0.051340 0.573098 0.117154 O\n0.139701 0.411656 0.568501 O\n0.843155 0.571200 0.431499 O\n0.661656 0.593155 0.771955 O\n0.821200 0.889701 0.228045 O\n0.110299 0.338344 0.931499 O\n0.406845 0.178800 0.068501 O\n0.588344 0.156845 0.728045 O\n0.428800 0.860299 0.271955 O\n","nsites":24,"nelements":2,"elements":["C","O"],"chemical_system":"C-O","density":1.7311870011097126,"density_atomic":0.07106728187892009,"volume":337.70814593542036,"volume_molar":8.473858294257182,"formula_full":"C8 O16","formula_reduced":"CO2","formula_anonymous":"AB2","energy":-188.325438,"energy_per_atom":-7.84689325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-177.333438,"band_gap":5.2707,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:45.097000Z","spacegroup":88},{"id":"mp-1202609","created_at":"2022-09-04T14:41:11.139474Z","structure_string":"P8 H88 C32 Cl16\n1.0\n10.817841 0.000000 0.000000\n0.000000 12.758780 0.000000\n0.000000 0.000000 13.754083\nP H C Cl\n8 88 32 16\ndirect\n0.801411 0.402768 0.131656 P\n0.698589 0.902768 0.868344 P\n0.301411 0.597232 0.368344 P\n0.198589 0.097232 0.631656 P\n0.198589 0.597232 0.868344 P\n0.301411 0.097232 0.131656 P\n0.698589 0.402768 0.631656 P\n0.801411 0.902768 0.368344 P\n0.863857 0.367920 0.970970 H\n0.636143 0.867920 0.029030 H\n0.363857 0.632080 0.529030 H\n0.136143 0.132080 0.470970 H\n0.136143 0.632080 0.029030 H\n0.363857 0.132080 0.970970 H\n0.636143 0.367920 0.470970 H\n0.863857 0.867920 0.529030 H\n0.836508 0.248050 0.039473 H\n0.663492 0.748050 0.960527 H\n0.336508 0.751950 0.460527 H\n0.163492 0.251950 0.539473 H\n0.163492 0.751950 0.960527 H\n0.336508 0.251950 0.039473 H\n0.663492 0.248050 0.539473 H\n0.836508 0.748050 0.460527 H\n0.976703 0.324667 0.057587 H\n0.523297 0.824667 0.942413 H\n0.476703 0.675333 0.442413 H\n0.023297 0.175333 0.557587 H\n0.023297 0.675333 0.942413 H\n0.476703 0.175333 0.057587 H\n0.523297 0.324667 0.557587 H\n0.976703 0.824667 0.442413 H\n0.976484 0.509979 0.159332 H\n0.523516 0.009979 0.840668 H\n0.476484 0.490021 0.340668 H\n0.023516 0.990021 0.659332 H\n0.023516 0.490021 0.840668 H\n0.476484 0.990021 0.159332 H\n0.523516 0.509979 0.659332 H\n0.976484 0.009979 0.340668 H\n0.836663 0.562137 0.214638 H\n0.663337 0.062137 0.785362 H\n0.336663 0.437863 0.285362 H\n0.163337 0.937863 0.714638 H\n0.163337 0.437863 0.785362 H\n0.336663 0.937863 0.214638 H\n0.663337 0.562137 0.714638 H\n0.836663 0.062137 0.285362 H\n0.861785 0.572276 0.083867 H\n0.638215 0.072276 0.916133 H\n0.361785 0.427724 0.416133 H\n0.138215 0.927724 0.583867 H\n0.138215 0.427724 0.916133 H\n0.361785 0.927724 0.083867 H\n0.638215 0.572276 0.583867 H\n0.861785 0.072276 0.416133 H\n0.597753 0.472035 0.155723 H\n0.902247 0.972035 0.844277 H\n0.097753 0.527965 0.344277 H\n0.402247 0.027965 0.655723 H\n0.402247 0.527965 0.844277 H\n0.097753 0.027965 0.155723 H\n0.902247 0.472035 0.655723 H\n0.597753 0.972035 0.344277 H\n0.594394 0.345786 0.098378 H\n0.905606 0.845786 0.901622 H\n0.094394 0.654214 0.401622 H\n0.405606 0.154214 0.598378 H\n0.405606 0.654214 0.901622 H\n0.094394 0.154214 0.098378 H\n0.905606 0.345786 0.598378 H\n0.594394 0.845786 0.401622 H\n0.638424 0.460177 0.029400 H\n0.861576 0.960177 0.970600 H\n0.138424 0.539823 0.470600 H\n0.361576 0.039823 0.529400 H\n0.361576 0.539823 0.970600 H\n0.138424 0.039823 0.029400 H\n0.861576 0.460177 0.529400 H\n0.638424 0.960177 0.470600 H\n0.747919 0.377227 0.298588 H\n0.752081 0.877227 0.701412 H\n0.247919 0.622773 0.201412 H\n0.252081 0.122773 0.798588 H\n0.252081 0.622773 0.701412 H\n0.247919 0.122773 0.298588 H\n0.752081 0.377227 0.798588 H\n0.747919 0.877227 0.201412 H\n0.758017 0.253160 0.231566 H\n0.741983 0.753160 0.768434 H\n0.258017 0.746840 0.268434 H\n0.241983 0.246840 0.731566 H\n0.241983 0.746840 0.768434 H\n0.258017 0.246840 0.231566 H\n0.741983 0.253160 0.731566 H\n0.758017 0.753160 0.268434 H\n0.800332 0.330002 0.245877 C\n0.699668 0.830002 0.754123 C\n0.300332 0.669998 0.254123 C\n0.199668 0.169998 0.745877 C\n0.199668 0.669998 0.754123 C\n0.300332 0.169998 0.245877 C\n0.699668 0.330002 0.745877 C\n0.800332 0.830002 0.254123 C\n0.877482 0.327038 0.040365 C\n0.622518 0.827038 0.959635 C\n0.377482 0.672962 0.459635 C\n0.122518 0.172962 0.540365 C\n0.122518 0.672962 0.959635 C\n0.377482 0.172962 0.040365 C\n0.622518 0.327038 0.540365 C\n0.877482 0.827038 0.459635 C\n0.877007 0.525165 0.149724 C\n0.622993 0.025165 0.850276 C\n0.377007 0.474835 0.350276 C\n0.122993 0.974835 0.649724 C\n0.122993 0.474835 0.850276 C\n0.377007 0.974835 0.149724 C\n0.622993 0.525165 0.649724 C\n0.877007 0.025165 0.350276 C\n0.641731 0.421743 0.101138 C\n0.858269 0.921743 0.898862 C\n0.141731 0.578257 0.398862 C\n0.358269 0.078257 0.601138 C\n0.358269 0.578257 0.898862 C\n0.141731 0.078257 0.101138 C\n0.858269 0.421743 0.601138 C\n0.641731 0.921743 0.398862 C\n0.951855 0.310336 0.293446 Cl\n0.548145 0.810336 0.706554 Cl\n0.451855 0.689664 0.206554 Cl\n0.048145 0.189664 0.793446 Cl\n0.048145 0.689664 0.706554 Cl\n0.451855 0.189664 0.293446 Cl\n0.548145 0.310336 0.793446 Cl\n0.951855 0.810336 0.206554 Cl\n0.714081 0.575062 0.385985 Cl\n0.785919 0.075062 0.614015 Cl\n0.214081 0.424938 0.114015 Cl\n0.285919 0.924938 0.885985 Cl\n0.285919 0.424938 0.614015 Cl\n0.214081 0.924938 0.385985 Cl\n0.785919 0.575062 0.885985 Cl\n0.714081 0.075062 0.114015 Cl\n","nsites":144,"nelements":4,"elements":["P","H","C","Cl"],"chemical_system":"C-Cl-H-P","density":1.126705168292269,"density_atomic":0.07585445780518903,"volume":1898.3722798444323,"volume_molar":7.939072975073112,"formula_full":"P8 H88 C32 Cl16","formula_reduced":"PH11(C2Cl)2","formula_anonymous":"AB2C4D11","energy":-715.15736205,"energy_per_atom":-4.966370569791667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-705.33336205,"band_gap":3.9324,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:15.528000Z","spacegroup":61},{"id":"mp-1044405","created_at":"2022-09-04T14:39:14.439126Z","structure_string":"Zn4 Mo12 O28\n1.0\n5.894880 0.000000 0.000000\n0.000000 9.885086 0.000000\n0.000000 0.000000 11.266161\nZn Mo O\n4 12 28\ndirect\n0.367112 0.016485 0.250000 Zn\n0.867112 0.483515 0.750000 Zn\n0.632888 0.983515 0.750000 Zn\n0.132888 0.516485 0.250000 Zn\n0.704231 0.682084 0.978277 Mo\n0.204231 0.817916 0.021723 Mo\n0.295769 0.317916 0.478277 Mo\n0.795769 0.182084 0.521723 Mo\n0.715278 0.787607 0.250000 Mo\n0.215278 0.712393 0.750000 Mo\n0.284722 0.212393 0.750000 Mo\n0.784722 0.287607 0.250000 Mo\n0.204231 0.817916 0.478277 Mo\n0.704231 0.682084 0.521723 Mo\n0.795769 0.182084 0.978277 Mo\n0.295769 0.317916 0.021723 Mo\n0.062431 0.269554 0.888815 O\n0.562431 0.230446 0.111185 O\n0.937569 0.730446 0.388815 O\n0.437569 0.769554 0.611185 O\n0.937569 0.730446 0.111185 O\n0.437569 0.769554 0.888815 O\n0.062431 0.269554 0.611185 O\n0.562431 0.230446 0.388815 O\n0.509085 0.252836 0.884548 O\n0.009085 0.247164 0.115452 O\n0.490915 0.747164 0.384548 O\n0.990915 0.752836 0.615452 O\n0.490915 0.747164 0.115452 O\n0.990915 0.752836 0.884548 O\n0.509085 0.252836 0.615452 O\n0.009085 0.247164 0.384548 O\n0.804265 0.476001 0.250000 O\n0.304265 0.023999 0.750000 O\n0.195735 0.523999 0.750000 O\n0.695735 0.976001 0.250000 O\n0.769602 0.015445 0.596839 O\n0.269602 0.484555 0.403161 O\n0.230398 0.984555 0.096839 O\n0.730398 0.515445 0.903161 O\n0.230398 0.984555 0.403161 O\n0.730398 0.515445 0.596839 O\n0.769602 0.015445 0.903161 O\n0.269602 0.484555 0.096839 O\n","nsites":44,"nelements":3,"elements":["Zn","Mo","O"],"chemical_system":"Mo-O-Zn","density":4.7069607040391,"density_atomic":0.06702260479974138,"volume":656.4949263232721,"volume_molar":8.985238305783122,"formula_full":"Zn4 Mo12 O28","formula_reduced":"ZnMo3O7","formula_anonymous":"AB3C7","energy":-337.55175970999994,"energy_per_atom":-7.671630902499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-279.89175971,"band_gap":1.1471,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.915000Z","spacegroup":62},{"id":"mp-1233698","created_at":"2022-09-04T14:39:45.710378Z","structure_string":"Tb4 Mg1 P4 O16\n1.0\n-0.446854 0.303654 6.344829\n8.012613 -0.018496 -2.061803\n0.073487 6.625421 0.331615\nTb Mg P O\n4 1 4 16\ndirect\n0.377033 0.134153 0.724095 Tb\n0.971199 0.745942 0.944397 Tb\n0.588897 0.891748 0.292072 Tb\n0.008007 0.285375 0.017376 Tb\n0.277500 0.495828 0.455763 Mg\n0.934295 0.212318 0.582701 P\n0.426386 0.711707 0.820538 P\n0.084280 0.790626 0.417503 P\n0.563840 0.321855 0.171330 P\n0.003802 0.323775 0.374320 O\n0.605994 0.729646 0.967602 O\n0.974017 0.694469 0.613085 O\n0.386620 0.309071 0.020686 O\n0.047144 0.033375 0.920117 O\n0.495127 0.688402 0.594542 O\n0.911350 0.813863 0.281207 O\n0.469480 0.344310 0.390295 O\n0.756328 0.040026 0.529814 O\n0.210680 0.561208 0.883182 O\n0.267144 0.963482 0.452054 O\n0.780042 0.466296 0.101599 O\n0.781920 0.282675 0.741642 O\n0.357505 0.875928 0.851564 O\n0.227175 0.691465 0.291024 O\n0.629655 0.152458 0.154084 O\n","nsites":25,"nelements":4,"elements":["Tb","Mg","P","O"],"chemical_system":"Mg-O-P-Tb","density":5.234543586294164,"density_atomic":0.07578470386737851,"volume":329.88187225418767,"volume_molar":7.946380275548227,"formula_full":"Tb4 Mg1 P4 O16","formula_reduced":"Tb4Mg(PO4)4","formula_anonymous":"AB4C4D16","energy":-202.62127264,"energy_per_atom":-8.1048509056,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-191.62927264,"band_gap":3.0746999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.114000Z","spacegroup":1},{"id":"mp-3980","created_at":"2022-09-04T14:39:11.863191Z","structure_string":"Li1 Sb1 F6\n1.0\n4.861978 -2.659839 0.000000\n4.861978 2.659839 0.000000\n3.406862 0.000000 4.371140\nLi Sb F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.861366 0.659088 0.239398 F\n0.239398 0.861366 0.659088 F\n0.340912 0.760602 0.138634 F\n0.659088 0.239398 0.861366 F\n0.760602 0.138634 0.340912 F\n0.138634 0.340912 0.760602 F\n","nsites":8,"nelements":3,"elements":["Li","Sb","F"],"chemical_system":"F-Li-Sb","density":3.564597250374786,"density_atomic":0.07076148459684574,"volume":113.05585299091658,"volume_molar":8.510478255664584,"formula_full":"Li1 Sb1 F6","formula_reduced":"LiSbF6","formula_anonymous":"ABC6","energy":-40.46785831,"energy_per_atom":-5.05848228875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.69585831,"band_gap":4.933400000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:38.753000Z","spacegroup":148},{"id":"mp-1517357","created_at":"2022-09-04T14:39:58.658518Z","structure_string":"Sr2 Ce1 Ni1 O6\n1.0\n-0.000000 -4.058975 -4.058975\n4.058975 0.000000 -4.058975\n4.058975 -4.058975 -0.000000\nSr Ce Ni O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 -0.000000 -0.000000 Ce\n0.500000 0.500000 0.500000 Ni\n0.731675 0.268325 0.268325 O\n0.268325 0.731675 0.731675 O\n0.731675 0.268325 0.731675 O\n0.268325 0.731675 0.268325 O\n0.731675 0.731675 0.268325 O\n0.268325 0.268325 0.731675 O\n","nsites":10,"nelements":4,"elements":["Sr","Ce","Ni","O"],"chemical_system":"Ce-Ni-O-Sr","density":5.835931007545351,"density_atomic":0.07476887997984881,"volume":133.74548345107124,"volume_molar":8.054341273566017,"formula_full":"Sr2 Ce1 Ni1 O6","formula_reduced":"Sr2CeNiO6","formula_anonymous":"ABC2D6","energy":-71.26067291999999,"energy_per_atom":-7.126067291999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.59767292,"band_gap":1.3228999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.317000Z","spacegroup":225},{"id":"mp-1215058","created_at":"2022-09-04T14:39:07.895609Z","structure_string":"Ba6 Na12 Ge48 O108\n1.0\n-5.856504 -10.143763 -0.000000\n-5.856504 10.143763 0.000000\n0.000000 0.000000 -19.558096\nBa Na Ge O\n6 12 48 108\ndirect\n0.665776 0.665776 0.750000 Ba\n0.334224 0.334224 0.250000 Ba\n0.000000 0.334224 0.750000 Ba\n1.000000 0.665776 0.250000 Ba\n0.334224 0.000000 0.750000 Ba\n0.665776 1.000000 0.250000 Ba\n0.993014 0.329725 0.963376 Na\n0.006986 0.670275 0.036624 Na\n0.336711 0.006986 0.963376 Na\n0.663289 0.670275 0.536624 Na\n0.663289 0.993014 0.036624 Na\n0.336711 0.329725 0.463376 Na\n0.670275 0.663289 0.963376 Na\n0.329725 0.993014 0.536624 Na\n0.329725 0.336711 0.036624 Na\n0.670275 0.006986 0.463376 Na\n0.006986 0.336711 0.536624 Na\n0.993014 0.663289 0.463376 Na\n0.666667 0.333333 0.977258 Ge\n0.333333 0.666667 0.022742 Ge\n0.333333 0.666667 0.522742 Ge\n0.666667 0.333333 0.477258 Ge\n0.666667 0.333333 0.727176 Ge\n0.333333 0.666667 0.272824 Ge\n0.333333 0.666667 0.772824 Ge\n0.666667 0.333333 0.227176 Ge\n-0.000000 -0.000000 -0.000000 Ge\n-0.000000 -0.000000 0.500000 Ge\n0.826346 0.003853 0.874336 Ge\n0.173654 0.996147 0.125664 Ge\n0.177507 0.173654 0.874336 Ge\n0.822493 0.996147 0.625664 Ge\n0.822493 0.826346 0.125664 Ge\n0.177507 0.003853 0.374336 Ge\n0.996147 0.822493 0.874336 Ge\n0.003853 0.826346 0.625664 Ge\n0.003853 0.177507 0.125664 Ge\n0.996147 0.173654 0.374336 Ge\n0.173654 0.177507 0.625664 Ge\n0.826346 0.822493 0.374336 Ge\n0.661107 0.145906 0.851969 Ge\n0.338893 0.854094 0.148031 Ge\n0.484798 0.338893 0.851969 Ge\n0.515202 0.854094 0.648031 Ge\n0.515202 0.661107 0.148031 Ge\n0.484798 0.145906 0.351969 Ge\n0.854094 0.515202 0.851969 Ge\n0.145906 0.661107 0.648031 Ge\n0.145906 0.484798 0.148031 Ge\n0.854094 0.338893 0.351969 Ge\n0.338893 0.484798 0.648031 Ge\n0.661107 0.515202 0.351969 Ge\n0.511200 0.846186 0.893362 Ge\n0.488800 0.153814 0.106638 Ge\n0.334986 0.488800 0.893362 Ge\n0.665014 0.153814 0.606638 Ge\n0.665014 0.511200 0.106638 Ge\n0.334986 0.846186 0.393362 Ge\n0.153814 0.665014 0.893362 Ge\n0.846186 0.511200 0.606638 Ge\n0.846186 0.334986 0.106638 Ge\n0.153814 0.488800 0.393362 Ge\n0.488800 0.334986 0.606638 Ge\n0.511200 0.665014 0.393362 Ge\n-0.000000 -0.000000 0.750000 Ge\n-0.000000 -0.000000 0.250000 Ge\n0.735335 0.245814 0.923408 O\n0.264665 0.754186 0.076592 O\n0.510479 0.264665 0.923408 O\n0.489521 0.754186 0.576592 O\n0.489521 0.735335 0.076592 O\n0.510479 0.245814 0.423408 O\n0.754186 0.489521 0.923408 O\n0.245814 0.735335 0.576592 O\n0.245814 0.510479 0.076592 O\n0.754186 0.264665 0.423408 O\n0.264665 0.510479 0.576592 O\n0.735335 0.489521 0.423408 O\n0.676234 0.893675 0.920891 O\n0.323766 0.106325 0.079109 O\n0.217441 0.323766 0.920891 O\n0.782559 0.106325 0.579109 O\n0.782559 0.676234 0.079109 O\n0.217441 0.893675 0.420891 O\n0.106325 0.782559 0.920891 O\n0.893675 0.676234 0.579109 O\n0.893675 0.217441 0.079109 O\n0.106325 0.323766 0.420891 O\n0.323766 0.217441 0.579109 O\n0.676234 0.782559 0.420891 O\n0.817984 0.406660 0.782609 O\n0.182016 0.593340 0.217391 O\n0.588676 0.182016 0.782609 O\n0.411324 0.593340 0.717391 O\n0.411324 0.817984 0.217391 O\n0.588676 0.406660 0.282609 O\n0.593340 0.411324 0.782609 O\n0.406660 0.817984 0.717391 O\n0.406660 0.588676 0.217391 O\n0.593340 0.182016 0.282609 O\n0.182016 0.588676 0.717391 O\n0.817984 0.411324 0.282609 O\n0.937362 0.091351 0.941799 O\n0.062638 0.908649 0.058201 O\n0.153989 0.062638 0.941799 O\n0.846011 0.908649 0.558201 O\n0.846011 0.937362 0.058201 O\n0.153989 0.091351 0.441799 O\n0.908649 0.846011 0.941799 O\n0.091351 0.937362 0.558201 O\n0.091351 0.153989 0.058201 O\n0.908649 0.062638 0.441799 O\n0.062638 0.153989 0.558201 O\n0.937362 0.846011 0.441799 O\n0.793224 0.117992 0.827206 O\n0.206776 0.882008 0.172794 O\n0.324768 0.206776 0.827206 O\n0.675232 0.882008 0.672794 O\n0.675232 0.793224 0.172794 O\n0.324768 0.117992 0.327206 O\n0.882008 0.675232 0.827206 O\n0.117992 0.793224 0.672794 O\n0.117992 0.324768 0.172794 O\n0.882008 0.206776 0.327206 O\n0.206776 0.324768 0.672794 O\n0.793224 0.675232 0.327206 O\n0.479202 0.487074 0.866338 O\n0.520798 0.512926 0.133662 O\n0.007872 0.520798 0.866338 O\n0.992128 0.512926 0.633662 O\n0.992128 0.479202 0.133662 O\n0.007872 0.487074 0.366338 O\n0.512926 0.992128 0.866338 O\n0.487074 0.479202 0.633662 O\n0.487074 0.007872 0.133662 O\n0.512926 0.520798 0.366338 O\n0.520798 0.007872 0.633662 O\n0.479202 0.992128 0.366338 O\n0.847855 0.911370 0.808875 O\n0.152145 0.088630 0.191125 O\n0.063515 0.152145 0.808875 O\n0.936485 0.088630 0.691125 O\n0.936485 0.847855 0.191125 O\n0.063515 0.911370 0.308875 O\n0.088630 0.936485 0.808875 O\n0.911370 0.847855 0.691125 O\n0.911370 0.063515 0.191125 O\n0.088630 0.152145 0.308875 O\n0.152145 0.063515 0.691125 O\n0.847855 0.936485 0.308875 O\n0.402025 0.579425 0.968619 O\n0.597975 0.420575 0.031381 O\n0.177400 0.597975 0.968619 O\n0.822600 0.420575 0.531381 O\n0.822600 0.402025 0.031381 O\n0.177400 0.579425 0.468619 O\n0.420575 0.822600 0.968619 O\n0.579425 0.402025 0.531381 O\n0.579425 0.177400 0.031381 O\n0.420575 0.597975 0.468619 O\n0.597975 0.177400 0.531381 O\n0.402025 0.822600 0.468619 O\n0.485790 0.728975 0.829822 O\n0.514210 0.271025 0.170178 O\n0.243185 0.514210 0.829822 O\n0.756815 0.271025 0.670178 O\n0.756815 0.485790 0.170178 O\n0.243185 0.728975 0.329822 O\n0.271025 0.756815 0.829822 O\n0.728975 0.485790 0.670178 O\n0.728975 0.243185 0.170178 O\n0.271025 0.514210 0.329822 O\n0.514210 0.243185 0.670178 O\n0.485790 0.756815 0.329822 O\n","nsites":174,"nelements":4,"elements":["Ba","Na","Ge","O"],"chemical_system":"Ba-Ge-Na-O","density":4.512254376921279,"density_atomic":0.07487815608213981,"volume":2323.7751716151442,"volume_molar":8.042586883942274,"formula_full":"Ba6 Na12 Ge48 O108","formula_reduced":"BaNa2(Ge4O9)2","formula_anonymous":"AB2C8D18","energy":-1172.70909289,"energy_per_atom":-6.739707430402299,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1098.51309289,"band_gap":3.0289,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.038000Z","spacegroup":165},{"id":"mp-998417","created_at":"2022-09-04T14:41:52.066748Z","structure_string":"Cs1 Sr1 I3\n1.0\n4.576151 4.577025 0.000000\n-4.576151 4.577025 0.000000\n0.000000 0.014678 6.464792\nCs Sr I\n1 1 3\ndirect\n0.001758 0.001758 0.999585 Cs\n0.505731 0.505731 0.517708 Sr\n0.002374 0.499111 0.513510 I\n0.487754 0.487754 0.016780 I\n0.499111 0.002374 0.513510 I\n","nsites":5,"nelements":3,"elements":["Cs","Sr","I"],"chemical_system":"Cs-I-Sr","density":3.6866164653866442,"density_atomic":0.018462980935900427,"volume":270.812173687388,"volume_molar":32.61738058934037,"formula_full":"Cs1 Sr1 I3","formula_reduced":"CsSrI3","formula_anonymous":"ABC3","energy":-16.46871662,"energy_per_atom":-3.293743324,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.33171662,"band_gap":3.6132,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:34.244000Z","spacegroup":8}]}