{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_full&page=10215","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_full&page=10213","results":[{"id":"mp-1097778","created_at":"2022-09-04T14:46:03.832168Z","structure_string":"Sr4 Ti4 O10\n1.0\n-2.811910 2.813570 7.855659\n2.811910 -2.813570 7.855659\n2.811910 2.813570 -7.855659\nSr Ti O\n4 4 10\ndirect\n0.116421 0.631801 0.484620 Sr\n0.350105 0.868039 0.482066 Sr\n0.614028 0.131961 0.482066 Sr\n0.852818 0.368199 0.484620 Sr\n0.233502 0.250097 0.983405 Ti\n0.733307 0.749903 0.983405 Ti\n0.964925 0.000000 0.964925 Ti\n0.498329 0.500000 0.998329 Ti\n0.490322 0.506920 0.482913 O\n0.975992 0.493080 0.983401 O\n0.490322 0.007409 0.983401 O\n0.975992 0.992591 0.482913 O\n0.141489 0.120773 0.020716 O\n0.324861 0.378769 0.946091 O\n0.567322 0.621231 0.946091 O\n0.899943 0.879227 0.020716 O\n0.723837 0.756006 0.479843 O\n0.723837 0.243994 0.967831 O\n","nsites":18,"nelements":3,"elements":["Sr","Ti","O"],"chemical_system":"O-Sr-Ti","density":4.688658164213469,"density_atomic":0.07240536541525353,"volume":248.6003612683649,"volume_molar":8.317257603027475,"formula_full":"Sr4 Ti4 O10","formula_reduced":"Sr2Ti2O5","formula_anonymous":"A2B2C5","energy":-146.7007398,"energy_per_atom":-8.150041100000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-139.8307398,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.6767235,"is_theoretical":true,"updated_at":"2021-11-28T01:37:18.841000Z","spacegroup":44},{"id":"mp-1076454","created_at":"2022-09-04T14:39:15.717488Z","structure_string":"Sr4 Ti4 O10\n1.0\n-2.824693 2.838586 7.920449\n2.824693 -2.838586 7.920449\n2.824693 2.838586 -7.920449\nSr Ti O\n4 4 10\ndirect\n0.899114 0.390873 0.515291 Sr\n0.100886 0.616177 0.491759 Sr\n0.375582 0.890873 0.491759 Sr\n0.624418 0.116177 0.515291 Sr\n0.000000 0.004213 0.004213 Ti\n0.500000 0.504213 0.004213 Ti\n0.710865 0.727136 0.938001 Ti\n0.289135 0.227136 0.016270 Ti\n0.255812 0.257883 0.502685 O\n0.744188 0.246873 0.002071 O\n0.255198 0.757883 0.002071 O\n0.744802 0.746873 0.502685 O\n0.897960 0.871192 0.031342 O\n0.102040 0.133383 0.973233 O\n0.339850 0.371192 0.973233 O\n0.660150 0.633383 0.031342 O\n0.572649 0.416270 0.488919 O\n0.427350 0.916270 0.843620 O\n","nsites":18,"nelements":3,"elements":["Sr","Ti","O"],"chemical_system":"O-Sr-Ti","density":4.588462881816368,"density_atomic":0.07085808348921795,"volume":254.02888581849595,"volume_molar":8.498876152805279,"formula_full":"Sr4 Ti4 O10","formula_reduced":"Sr2Ti2O5","formula_anonymous":"A2B2C5","energy":-146.47241325000002,"energy_per_atom":-8.137356291666668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-139.60241325,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.8330115,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.074000Z","spacegroup":46},{"id":"mp-1196423","created_at":"2022-09-04T14:40:05.414787Z","structure_string":"Sr4 Ti4 O8 F24\n1.0\n10.458404 0.000000 0.000000\n0.000000 6.174379 0.000000\n0.000000 4.663148 10.765371\nSr Ti O F\n4 4 8 24\ndirect\n0.716352 0.276787 0.554432 Sr\n0.216352 0.723213 0.945568 Sr\n0.283648 0.723213 0.445568 Sr\n0.783648 0.276787 0.054432 Sr\n0.530404 0.631843 0.751803 Ti\n0.030404 0.368157 0.748197 Ti\n0.469596 0.368157 0.248197 Ti\n0.969596 0.631843 0.251803 Ti\n0.681049 0.902704 0.998814 O\n0.181049 0.097296 0.501186 O\n0.318951 0.097296 0.001186 O\n0.818951 0.902704 0.498814 O\n0.936322 0.675582 0.907566 O\n0.436322 0.324418 0.592434 O\n0.063678 0.324418 0.092434 O\n0.563678 0.675582 0.407566 O\n0.631102 0.911754 0.698987 F\n0.131102 0.088246 0.801013 F\n0.368898 0.088246 0.301013 F\n0.868898 0.911754 0.198987 F\n0.647828 0.519602 0.662084 F\n0.147828 0.480398 0.837916 F\n0.352172 0.480398 0.337916 F\n0.852172 0.519602 0.162084 F\n0.914983 0.230897 0.673785 F\n0.414983 0.769103 0.826215 F\n0.085017 0.769103 0.326215 F\n0.585017 0.230897 0.173785 F\n0.929243 0.240346 0.897848 F\n0.429243 0.759654 0.602152 F\n0.070757 0.759654 0.102152 F\n0.570757 0.240346 0.397848 F\n0.935922 0.644547 0.700202 F\n0.435922 0.355453 0.799798 F\n0.064078 0.355453 0.299798 F\n0.564078 0.644547 0.200202 F\n0.632172 0.497813 0.894171 F\n0.132172 0.502187 0.605829 F\n0.367828 0.502187 0.105829 F\n0.867828 0.497813 0.394171 F\n","nsites":40,"nelements":4,"elements":["Sr","Ti","O","F"],"chemical_system":"F-O-Sr-Ti","density":2.6894476680956716,"density_atomic":0.05754032250239552,"volume":695.1646820946254,"volume_molar":10.465948917386214,"formula_full":"Sr4 Ti4 O8 F24","formula_reduced":"SrTi(OF3)2","formula_anonymous":"ABC2D6","energy":-232.16071296,"energy_per_atom":-5.804017824000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-215.57671296,"band_gap":0.4866000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9999223,"is_theoretical":false,"updated_at":"2021-11-28T01:34:49.122000Z","spacegroup":14},{"id":"mp-558553","created_at":"2022-09-04T14:48:08.136759Z","structure_string":"Sr4 Ti5 Si4 O22\n1.0\n2.841409 7.068252 0.000000\n-2.841409 7.068252 0.000000\n0.000000 4.970939 10.930398\nSr Ti Si O\n4 5 4 22\ndirect\n0.953765 0.953765 0.739638 Sr\n0.765080 0.765080 0.267265 Sr\n0.046235 0.046235 0.260362 Sr\n0.234920 0.234920 0.732735 Sr\n0.242356 0.757644 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.725480 0.725480 0.000756 Ti\n0.757644 0.242356 0.000000 Ti\n0.274520 0.274520 0.999244 Ti\n0.594304 0.594304 0.729385 Si\n0.157511 0.157511 0.453472 Si\n0.842489 0.842489 0.546528 Si\n0.405696 0.405696 0.270615 Si\n0.671701 0.202184 0.182199 O\n0.866389 0.345257 0.418227 O\n0.654743 0.133611 0.581773 O\n0.458238 0.957871 0.117933 O\n0.908002 0.908002 0.000020 O\n0.404843 0.404843 0.000976 O\n0.146666 0.146666 0.590562 O\n0.853334 0.853334 0.409438 O\n0.797816 0.328299 0.817801 O\n0.469255 0.469255 0.357198 O\n0.328299 0.797816 0.817801 O\n0.278665 0.278665 0.344782 O\n0.541762 0.042129 0.882067 O\n0.595157 0.595157 0.999024 O\n0.042129 0.541762 0.882067 O\n0.530745 0.530745 0.642802 O\n0.091998 0.091998 0.999980 O\n0.957871 0.458238 0.117933 O\n0.133611 0.654743 0.581773 O\n0.721335 0.721335 0.655218 O\n0.345257 0.866389 0.418227 O\n0.202184 0.671701 0.182199 O\n","nsites":35,"nelements":4,"elements":["Sr","Ti","Si","O"],"chemical_system":"O-Si-Sr-Ti","density":3.986917125483158,"density_atomic":0.07971798200344203,"volume":439.0477420576048,"volume_molar":7.554306580088767,"formula_full":"Sr4 Ti5 Si4 O22","formula_reduced":"Sr4Ti5(Si2O11)2","formula_anonymous":"A4B4C5D22","energy":-298.1978276,"energy_per_atom":-8.51993793142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-283.0838276,"band_gap":1.9364000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":4.2e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:38:26.998000Z","spacegroup":12},{"id":"mp-572124","created_at":"2022-09-04T14:40:35.165628Z","structure_string":"Sr4 Ti8 O20\n1.0\n3.911083 -8.019991 0.000000\n3.911083 8.019991 0.000000\n0.000000 0.000000 12.229871\nSr Ti O\n4 8 20\ndirect\n0.394682 0.120871 0.381096 Sr\n0.879129 0.605318 0.381096 Sr\n0.120871 0.394682 0.381096 Sr\n0.605318 0.879129 0.381096 Sr\n0.237037 0.237037 0.055040 Ti\n0.238683 0.761317 0.231542 Ti\n0.000000 0.000000 0.256332 Ti\n0.761317 0.238683 0.231542 Ti\n0.500000 0.500000 0.247240 Ti\n0.633670 0.366330 0.058079 Ti\n0.762963 0.762963 0.055040 Ti\n0.366330 0.633670 0.058079 Ti\n0.740567 0.259433 0.397847 O\n0.123382 0.876618 0.253119 O\n0.500000 0.000000 0.246040 O\n0.246184 0.246184 0.221157 O\n0.000000 0.000000 0.070724 O\n0.000000 0.500000 0.246040 O\n0.753816 0.753816 0.221157 O\n0.256516 0.743484 0.077354 O\n0.192819 0.393502 0.994310 O\n0.377663 0.622337 0.221557 O\n0.622337 0.377663 0.221557 O\n0.606498 0.807181 0.994310 O\n0.807181 0.606498 0.994310 O\n0.393502 0.192819 0.994310 O\n0.876618 0.123382 0.253119 O\n0.743484 0.256516 0.077354 O\n0.500000 0.500000 0.395075 O\n0.259433 0.740567 0.397847 O\n0.500000 0.500000 0.084195 O\n0.000000 0.000000 0.402344 O\n","nsites":32,"nelements":3,"elements":["Sr","Ti","O"],"chemical_system":"O-Sr-Ti","density":2.2799287512868105,"density_atomic":0.04170875179593779,"volume":767.2250696103696,"volume_molar":14.438554261857638,"formula_full":"Sr4 Ti8 O20","formula_reduced":"SrTi2O5","formula_anonymous":"AB2C5","energy":-274.93926025,"energy_per_atom":-8.5918518828125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-261.19926025,"band_gap":1.9511,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004947,"is_theoretical":true,"updated_at":"2021-11-28T01:35:03.242000Z","spacegroup":35},{"id":"mp-680689","created_at":"2022-09-04T14:43:10.503694Z","structure_string":"Sr4 Ti8 O20\n1.0\n3.991424 -8.199063 0.000000\n3.991424 8.199063 0.000000\n0.000000 0.000000 11.555705\nSr Ti O\n4 8 20\ndirect\n0.500000 0.500000 0.387615 Sr\n0.230619 0.769381 0.395825 Sr\n0.769381 0.230619 0.395825 Sr\n0.000000 0.000000 0.363264 Sr\n0.397273 0.126899 0.246830 Ti\n0.602727 0.873101 0.246830 Ti\n0.873101 0.602727 0.246830 Ti\n0.126899 0.397273 0.246830 Ti\n0.714395 0.714395 0.068654 Ti\n0.285605 0.285605 0.068654 Ti\n0.123246 0.876754 0.042401 Ti\n0.876754 0.123246 0.042401 Ti\n0.811893 0.188107 0.933006 O\n0.715028 0.715028 0.228437 O\n0.328039 0.105810 0.399825 O\n0.365195 0.634805 0.268351 O\n0.863541 0.136459 0.221880 O\n0.357895 0.130723 0.076381 O\n0.500000 0.000000 0.267254 O\n0.130723 0.357895 0.076381 O\n0.642105 0.869277 0.076381 O\n0.894190 0.671961 0.399825 O\n0.634805 0.365195 0.268351 O\n0.000000 0.500000 0.267254 O\n0.136459 0.863541 0.221880 O\n0.188107 0.811893 0.933006 O\n0.105810 0.328039 0.399825 O\n0.284972 0.284972 0.228437 O\n0.671961 0.894190 0.399825 O\n0.500000 0.500000 0.014054 O\n0.000000 0.000000 0.015574 O\n0.869277 0.642105 0.076381 O\n","nsites":32,"nelements":3,"elements":["Sr","Ti","O"],"chemical_system":"O-Sr-Ti","density":2.3127331777768294,"density_atomic":0.042308872164395814,"volume":756.3425438442426,"volume_molar":14.233753943145315,"formula_full":"Sr4 Ti8 O20","formula_reduced":"SrTi2O5","formula_anonymous":"AB2C5","energy":-274.12006598,"energy_per_atom":-8.566252061875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-260.38006598,"band_gap":1.8634,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002734,"is_theoretical":true,"updated_at":"2021-11-28T01:35:59.439000Z","spacegroup":35},{"id":"mp-1218439","created_at":"2022-09-04T14:46:13.105843Z","structure_string":"Sr4 Tl1 Cu2 Bi1 O10\n1.0\n-2.644376 2.644376 9.132675\n2.644376 -2.644376 9.132675\n2.644376 2.644376 -9.132675\nSr Tl Cu Bi O\n4 1 2 1 10\ndirect\n0.352027 0.852027 0.500000 Sr\n0.852027 0.352027 0.500000 Sr\n0.147973 0.647973 0.500000 Sr\n0.647973 0.147973 0.500000 Sr\n0.500000 0.500000 0.000000 Tl\n0.752855 0.752855 0.000000 Cu\n0.247145 0.247145 0.000000 Cu\n0.000000 0.000000 0.000000 Bi\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.879593 0.879593 0.000000 O\n0.385948 0.385948 0.000000 O\n0.614052 0.614052 0.000000 O\n0.120407 0.120407 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n","nsites":18,"nelements":5,"elements":["Sr","Tl","Cu","Bi","O"],"chemical_system":"Bi-Cu-O-Sr-Tl","density":6.831535902846109,"density_atomic":0.07046413046531123,"volume":255.44911831220585,"volume_molar":8.546391930522208,"formula_full":"Sr4 Tl1 Cu2 Bi1 O10","formula_reduced":"Sr4TlCu2BiO10","formula_anonymous":"ABC2D4E10","energy":-107.74153832,"energy_per_atom":-5.985641017777778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-100.87153832,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0931148,"is_theoretical":true,"updated_at":"2021-11-28T01:37:26.318000Z","spacegroup":139},{"id":"mp-1218464","created_at":"2022-09-04T14:41:52.890783Z","structure_string":"Sr4 Tl1 Fe2 O9\n1.0\n0.000000 2.735382 15.295661\n2.711193 0.000000 15.295661\n2.711193 2.735382 0.000000\nSr Tl Fe O\n4 1 2 9\ndirect\n0.582485 0.582012 0.417988 Sr\n0.417988 0.417515 0.582485 Sr\n0.705247 0.705313 0.294687 Sr\n0.294687 0.294753 0.705247 Sr\n0.026837 0.973163 0.026837 Tl\n0.148492 0.148743 0.851257 Fe\n0.851257 0.851508 0.148492 Fe\n0.062601 0.074873 0.925127 O\n0.925127 0.937399 0.062601 O\n0.642809 0.643221 0.857406 O\n0.143436 0.142594 0.356779 O\n0.356779 0.357191 0.143436 O\n0.857406 0.856564 0.642809 O\n0.212880 0.213139 0.786861 O\n0.786861 0.787120 0.212880 O\n0.455507 0.544493 0.455507 O\n","nsites":16,"nelements":4,"elements":["Sr","Tl","Fe","O"],"chemical_system":"Fe-O-Sr-Tl","density":5.932682649930535,"density_atomic":0.0705250362420543,"volume":226.86978770326598,"volume_molar":8.539011223377406,"formula_full":"Sr4 Tl1 Fe2 O9","formula_reduced":"Sr4TlFe2O9","formula_anonymous":"AB2C4D9","energy":-108.20884088,"energy_per_atom":-6.763052555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.51384088,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.0002781,"is_theoretical":true,"updated_at":"2021-11-28T01:35:30.838000Z","spacegroup":42},{"id":"mp-1218552","created_at":"2022-09-04T14:44:21.213942Z","structure_string":"Sr4 Tl2 C1 O9\n1.0\n5.129877 0.000000 0.000000\n0.000000 5.083271 0.000000\n2.564938 2.541635 9.543098\nSr Tl C O\n4 2 1 9\ndirect\n0.611341 0.122350 0.777319 Sr\n0.113371 0.638906 0.773258 Sr\n0.388659 0.899668 0.222681 Sr\n0.886629 0.412164 0.226742 Sr\n0.252566 0.262591 0.494868 Tl\n0.747434 0.757459 0.505132 Tl\n0.000000 0.021702 0.000000 C\n0.141451 0.157510 0.717097 O\n0.858549 0.874608 0.282903 O\n0.749476 0.257030 0.501048 O\n0.250524 0.758078 0.498952 O\n0.634635 0.644014 0.730729 O\n0.365365 0.374743 0.269271 O\n0.218800 0.892485 0.000000 O\n0.781200 0.892485 0.000000 O\n0.000000 0.277207 0.000000 O\n","nsites":16,"nelements":4,"elements":["Sr","Tl","C","O"],"chemical_system":"C-O-Sr-Tl","density":6.107312425431588,"density_atomic":0.0642954711881284,"volume":248.85111974969496,"volume_molar":9.366352946351745,"formula_full":"Sr4 Tl2 C1 O9","formula_reduced":"Sr4Tl2CO9","formula_anonymous":"AB2C4D9","energy":-103.37449781,"energy_per_atom":-6.460906113125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.19149781,"band_gap":1.3472999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003981,"is_theoretical":true,"updated_at":"2021-11-28T01:36:36.427000Z","spacegroup":44},{"id":"mp-1218526","created_at":"2022-09-04T14:48:12.629853Z","structure_string":"Sr4 Tl4 O10\n1.0\n3.563030 0.000000 0.000000\n1.781515 5.835097 0.000000\n0.000000 0.000000 14.102251\nSr Tl O\n4 4 10\ndirect\n0.966941 0.066118 0.264435 Sr\n0.033059 0.933882 0.764435 Sr\n0.213369 0.573261 0.110599 Sr\n0.786631 0.426739 0.610599 Sr\n0.489121 0.021758 0.999207 Tl\n0.510879 0.978242 0.499207 Tl\n0.764212 0.471575 0.890980 Tl\n0.235788 0.528425 0.390980 Tl\n0.879296 0.241409 0.443536 O\n0.160060 0.679880 0.532848 O\n0.839940 0.320120 0.032848 O\n0.120704 0.758591 0.943536 O\n0.318077 0.363845 0.257957 O\n0.681923 0.636155 0.757957 O\n0.593336 0.813328 0.360665 O\n0.439650 0.120700 0.639772 O\n0.560350 0.879300 0.139772 O\n0.406664 0.186672 0.860665 O\n","nsites":18,"nelements":3,"elements":["Sr","Tl","O"],"chemical_system":"O-Sr-Tl","density":7.521310672742192,"density_atomic":0.06139266779266995,"volume":293.1946215595005,"volume_molar":9.809218228368016,"formula_full":"Sr4 Tl4 O10","formula_reduced":"Sr2Tl2O5","formula_anonymous":"A2B2C5","energy":-102.40230761,"energy_per_atom":-5.6890170894444445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.53230761,"band_gap":1.5206999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023269,"is_theoretical":true,"updated_at":"2021-11-28T01:38:31.460000Z","spacegroup":36},{"id":"mp-17090","created_at":"2022-09-04T14:43:05.317813Z","structure_string":"Sr4 Tl4 P4 S16\n1.0\n6.666484 0.000000 0.000000\n0.000000 8.803218 0.000000\n0.000000 0.000000 12.876789\nSr Tl P S\n4 4 4 16\ndirect\n0.250000 0.607567 0.135410 Sr\n0.750000 0.392433 0.864590 Sr\n0.750000 0.107567 0.364590 Sr\n0.250000 0.892433 0.635410 Sr\n0.750000 0.878751 0.888821 Tl\n0.250000 0.121249 0.111179 Tl\n0.250000 0.378751 0.611179 Tl\n0.750000 0.621249 0.388821 Tl\n0.750000 0.128209 0.647436 P\n0.250000 0.628209 0.852564 P\n0.750000 0.371791 0.147436 P\n0.250000 0.871791 0.352564 P\n0.495490 0.639380 0.755162 S\n0.995490 0.360620 0.244838 S\n0.504510 0.139380 0.744838 S\n0.004510 0.860620 0.255162 S\n0.995490 0.139380 0.744838 S\n0.504510 0.360620 0.244838 S\n0.495490 0.860620 0.255162 S\n0.004510 0.639380 0.755162 S\n0.250000 0.687742 0.449478 S\n0.750000 0.312258 0.550522 S\n0.750000 0.187742 0.050522 S\n0.250000 0.812258 0.949478 S\n0.250000 0.073924 0.431683 S\n0.750000 0.926076 0.568317 S\n0.750000 0.573924 0.068317 S\n0.250000 0.426076 0.931683 S\n","nsites":28,"nelements":4,"elements":["Sr","Tl","P","S"],"chemical_system":"P-S-Sr-Tl","density":3.9661393995655536,"density_atomic":0.03705204255220013,"volume":755.6938314683375,"volume_molar":16.25319508773588,"formula_full":"Sr4 Tl4 P4 S16","formula_reduced":"SrTlPS4","formula_anonymous":"ABCD4","energy":-138.13461016,"energy_per_atom":-4.933378934285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-130.08661016,"band_gap":2.0981,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007316,"is_theoretical":false,"updated_at":"2021-11-28T01:36:00.072000Z","spacegroup":62},{"id":"mp-560156","created_at":"2022-09-04T14:46:27.259873Z","structure_string":"Sr4 Tl4 V4 O16\n1.0\n5.955183 0.000000 0.000000\n0.000000 7.667870 0.000000\n0.000000 0.000000 10.189353\nSr Tl V O\n4 4 4 16\ndirect\n0.978064 0.250777 0.705004 Sr\n0.021936 0.750777 0.794996 Sr\n0.521936 0.749223 0.205004 Sr\n0.478064 0.249223 0.294996 Sr\n0.480386 0.414528 0.922676 Tl\n0.980386 0.085472 0.077324 Tl\n0.519614 0.914528 0.577324 Tl\n0.019614 0.585472 0.422676 Tl\n0.514923 0.468237 0.581845 V\n0.485077 0.968237 0.918155 V\n0.014923 0.031763 0.418155 V\n0.985077 0.531763 0.081845 V\n0.239968 0.491015 0.163549 O\n0.498572 0.050210 0.078796 O\n0.746886 0.549628 0.667194 O\n0.998572 0.449790 0.921204 O\n0.253114 0.049628 0.832806 O\n0.739968 0.008985 0.836451 O\n0.260032 0.508985 0.663549 O\n0.246886 0.950372 0.332806 O\n0.432819 0.746836 0.934608 O\n0.932819 0.753164 0.065392 O\n0.760032 0.991015 0.336451 O\n0.501428 0.550210 0.421204 O\n0.753114 0.450372 0.167194 O\n0.001428 0.949790 0.578796 O\n0.067181 0.253164 0.434608 O\n0.567181 0.246836 0.565392 O\n","nsites":28,"nelements":4,"elements":["Sr","Tl","V","O"],"chemical_system":"O-Sr-Tl-V","density":5.80932361031048,"density_atomic":0.06017852934380815,"volume":465.28222449625144,"volume_molar":10.007125175151236,"formula_full":"Sr4 Tl4 V4 O16","formula_reduced":"SrTlVO4","formula_anonymous":"ABCD4","energy":-202.34475233,"energy_per_atom":-7.2265982975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-184.55275233,"band_gap":3.2379,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.65e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:37.794000Z","spacegroup":19}]}