{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=10245","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=10243","results":[{"id":"mp-1113935","created_at":"2022-09-04T14:45:59.302066Z","structure_string":"Rb2 Ti1 Hg1 F6\n1.0\n0.000000 4.852445 4.852445\n4.852445 0.000000 4.852445\n4.852445 4.852445 0.000000\nRb Ti Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Hg\n0.195100 0.195100 0.804900 F\n0.195100 0.804900 0.804900 F\n0.804900 0.804900 0.195100 F\n0.195100 0.804900 0.195100 F\n0.804900 0.195100 0.804900 F\n0.804900 0.195100 0.195100 F\n","nsites":10,"nelements":4,"elements":["Rb","Ti","Hg","F"],"chemical_system":"F-Hg-Rb-Ti","density":3.87593443918012,"density_atomic":0.043761090880526175,"volume":228.5134990647601,"volume_molar":13.761404569281137,"formula_full":"Rb2 Ti1 Hg1 F6","formula_reduced":"Rb2TiHgF6","formula_anonymous":"ABC2D6","energy":-52.50968216,"energy_per_atom":-5.2509682159999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.73768216,"band_gap":2.3262,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.99e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:17.007000Z","spacegroup":225},{"id":"mp-1219552","created_at":"2022-09-04T14:39:47.228471Z","structure_string":"Rb2 Ti6 Nb2 O18\n1.0\n3.851863 0.000000 0.000000\n0.000000 6.437830 0.000000\n0.000000 0.000000 15.173721\nRb Ti Nb O\n2 6 2 18\ndirect\n0.500000 0.211547 0.248645 Rb\n0.000000 0.788453 0.748645 Rb\n0.000000 0.303010 0.465037 Ti\n0.000000 0.306030 0.043702 Ti\n0.500000 0.693970 0.543702 Ti\n0.500000 0.696990 0.965037 Ti\n0.000000 0.752945 0.122325 Ti\n0.500000 0.247055 0.622325 Ti\n0.000000 0.753681 0.368674 Nb\n0.500000 0.246319 0.868674 Nb\n0.000000 0.653412 0.991406 O\n0.000000 0.652161 0.510391 O\n0.500000 0.347839 0.010391 O\n0.500000 0.346588 0.491406 O\n0.000000 0.054346 0.413633 O\n0.000000 0.053725 0.089103 O\n0.500000 0.946275 0.589103 O\n0.500000 0.945654 0.913633 O\n0.000000 0.823937 0.247748 O\n0.500000 0.176063 0.747748 O\n0.000000 0.453781 0.355922 O\n0.000000 0.461162 0.145325 O\n0.500000 0.538838 0.645325 O\n0.500000 0.546219 0.855922 O\n0.000000 0.243622 0.900905 O\n0.000000 0.247143 0.597184 O\n0.500000 0.752857 0.097184 O\n0.500000 0.756378 0.400905 O\n","nsites":28,"nelements":4,"elements":["Rb","Ti","Nb","O"],"chemical_system":"Nb-O-Rb-Ti","density":4.112769916613933,"density_atomic":0.07441416287524578,"volume":376.27245833486796,"volume_molar":8.092734672156466,"formula_full":"Rb2 Ti6 Nb2 O18","formula_reduced":"RbTi3NbO9","formula_anonymous":"ABC3D9","energy":-250.15618132,"energy_per_atom":-8.934149332857142,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-237.79018132,"band_gap":2.3867000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001834,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.657000Z","spacegroup":31},{"id":"mp-1219566","created_at":"2022-09-04T14:42:06.184043Z","structure_string":"Rb4 Ti4 Nb4 O20\n1.0\n3.856568 0.000000 0.000000\n0.000000 6.525682 0.000000\n0.000000 0.000000 19.384314\nRb Ti Nb O\n4 4 4 20\ndirect\n0.250000 0.796621 0.193917 Rb\n0.250000 0.296621 0.306083 Rb\n0.750000 0.203379 0.806083 Rb\n0.750000 0.703379 0.693917 Rb\n0.250000 0.314148 0.967804 Ti\n0.250000 0.814148 0.532196 Ti\n0.750000 0.685852 0.032196 Ti\n0.750000 0.185852 0.467804 Ti\n0.250000 0.766353 0.894123 Nb\n0.250000 0.266353 0.605877 Nb\n0.750000 0.233647 0.105877 Nb\n0.750000 0.733647 0.394123 Nb\n0.250000 0.240413 0.077009 O\n0.250000 0.740413 0.422991 O\n0.750000 0.759587 0.922991 O\n0.750000 0.259587 0.577009 O\n0.250000 0.830950 0.803183 O\n0.250000 0.330950 0.696817 O\n0.750000 0.169050 0.196817 O\n0.750000 0.669050 0.303183 O\n0.250000 0.460929 0.884782 O\n0.250000 0.960929 0.615218 O\n0.750000 0.539071 0.115218 O\n0.750000 0.039071 0.384782 O\n0.250000 0.063161 0.930002 O\n0.250000 0.563161 0.569998 O\n0.750000 0.936839 0.069998 O\n0.750000 0.436839 0.430002 O\n0.250000 0.646946 0.009628 O\n0.250000 0.146946 0.490372 O\n0.750000 0.353054 0.990372 O\n0.750000 0.853054 0.509628 O\n","nsites":32,"nelements":4,"elements":["Rb","Ti","Nb","O"],"chemical_system":"Nb-O-Rb-Ti","density":4.16956825695869,"density_atomic":0.06559528785211684,"volume":487.83992033304753,"volume_molar":9.180752089352495,"formula_full":"Rb4 Ti4 Nb4 O20","formula_reduced":"RbTiNbO5","formula_anonymous":"ABCD5","energy":-274.23490471,"energy_per_atom":-8.5698407721875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-260.49490471,"band_gap":2.6967,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021174,"is_theoretical":true,"updated_at":"2021-11-28T01:35:46.283000Z","spacegroup":62},{"id":"mp-1106402","created_at":"2022-09-04T14:47:30.019922Z","structure_string":"Rb4 Ti2 O2 F10\n1.0\n4.441443 -4.950813 0.000000\n4.441443 4.950813 0.000000\n0.000000 0.000000 8.071376\nRb Ti O F\n4 2 2 10\ndirect\n0.491624 0.919185 0.250000 Rb\n0.080815 0.508376 0.750000 Rb\n0.508376 0.080815 0.750000 Rb\n0.919185 0.491624 0.250000 Rb\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.522246 0.522246 0.750000 O\n0.477754 0.477754 0.250000 O\n0.191724 0.808276 0.500000 F\n0.191724 0.808276 0.000000 F\n0.808276 0.191724 0.500000 F\n0.808276 0.191724 0.000000 F\n0.790838 0.790838 0.498462 F\n0.209162 0.209162 0.501538 F\n0.790838 0.790838 0.001538 F\n0.209162 0.209162 0.998462 F\n0.997056 0.997056 0.250000 F\n0.002944 0.002944 0.750000 F\n","nsites":18,"nelements":4,"elements":["Rb","Ti","O","F"],"chemical_system":"F-O-Rb-Ti","density":3.0856287620108196,"density_atomic":0.05071008222878046,"volume":354.95899846488743,"volume_molar":11.875628071023199,"formula_full":"Rb4 Ti2 O2 F10","formula_reduced":"Rb2TiOF5","formula_anonymous":"ABC2D5","energy":-101.34724705,"energy_per_atom":-5.630402613888888,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.35324705,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0396057,"is_theoretical":false,"updated_at":"2021-11-28T01:38:12.418000Z","spacegroup":63},{"id":"mp-6539","created_at":"2022-09-04T14:47:27.353526Z","structure_string":"Rb8 Ti8 P8 O40\n1.0\n6.594719 0.000000 0.000000\n0.000000 10.674352 0.000000\n0.000000 0.000000 13.138024\nRb Ti P O\n8 8 8 40\ndirect\n0.192753 0.452555 0.606378 Rb\n0.807247 0.952555 0.393622 Rb\n0.307247 0.452555 0.106378 Rb\n0.692753 0.952555 0.893622 Rb\n0.282769 0.202703 0.883103 Rb\n0.717231 0.702703 0.116897 Rb\n0.217231 0.202703 0.383103 Rb\n0.782769 0.702703 0.616897 Rb\n0.762780 0.272348 0.746897 Ti\n0.237220 0.772348 0.253103 Ti\n0.737220 0.272348 0.246897 Ti\n0.262780 0.772348 0.753103 Ti\n0.998423 0.523411 0.871301 Ti\n0.001577 0.023411 0.128699 Ti\n0.501577 0.523411 0.371301 Ti\n0.498423 0.023411 0.628699 Ti\n0.002805 0.015199 0.679632 P\n0.997195 0.515199 0.320368 P\n0.497195 0.015199 0.179632 P\n0.502805 0.515199 0.820368 P\n0.835862 0.267337 0.999860 P\n0.164138 0.767337 0.000140 P\n0.664138 0.267337 0.499860 P\n0.335862 0.767337 0.500140 P\n0.959305 0.128793 0.750592 O\n0.040695 0.628793 0.249408 O\n0.540695 0.128793 0.250592 O\n0.459305 0.628793 0.749408 O\n0.043827 0.899649 0.750092 O\n0.956173 0.399649 0.249908 O\n0.456173 0.899649 0.250092 O\n0.543827 0.399649 0.749908 O\n0.192307 0.044068 0.613799 O\n0.807693 0.544068 0.386201 O\n0.307693 0.044068 0.113799 O\n0.692307 0.544068 0.886201 O\n0.814155 0.985149 0.613842 O\n0.185845 0.485149 0.386158 O\n0.685845 0.985149 0.113842 O\n0.698811 0.289454 0.095417 O\n0.314155 0.485149 0.886158 O\n0.448941 0.637804 0.277063 O\n0.948941 0.137804 0.222937 O\n0.051059 0.637804 0.777063 O\n0.957297 0.385399 0.779451 O\n0.042703 0.885399 0.220549 O\n0.542703 0.385399 0.279451 O\n0.457297 0.885399 0.720549 O\n0.480793 0.878909 0.514261 O\n0.519207 0.378909 0.485739 O\n0.019207 0.878909 0.014261 O\n0.980793 0.378909 0.985739 O\n0.462494 0.644932 0.485060 O\n0.537506 0.144932 0.514940 O\n0.037506 0.644932 0.985060 O\n0.962494 0.144932 0.014940 O\n0.203625 0.745711 0.596779 O\n0.796375 0.245711 0.403221 O\n0.296375 0.745711 0.096779 O\n0.703625 0.245711 0.903221 O\n0.198811 0.789454 0.404583 O\n0.801189 0.289454 0.595417 O\n0.301189 0.789454 0.904583 O\n0.551059 0.137804 0.722937 O\n","nsites":64,"nelements":4,"elements":["Rb","Ti","P","O"],"chemical_system":"O-P-Rb-Ti","density":3.509171333173997,"density_atomic":0.06920095818901964,"volume":924.842685345289,"volume_molar":8.702395050008938,"formula_full":"Rb8 Ti8 P8 O40","formula_reduced":"RbTiPO5","formula_anonymous":"ABCD5","energy":-506.71697124,"energy_per_atom":-7.917452675625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-479.23697124,"band_gap":2.7536,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.51e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:38:08.213000Z","spacegroup":33},{"id":"mp-695439","created_at":"2022-09-04T14:43:54.573726Z","structure_string":"Rb8 Ti8 P8 O40\n1.0\n8.617684 0.000000 0.000000\n0.000000 9.950777 0.000000\n0.000000 0.000000 10.311142\nRb Ti P O\n8 8 8 40\ndirect\n0.450573 0.602476 0.652301 Rb\n0.950573 0.102476 0.847699 Rb\n0.321694 0.892926 0.560249 Rb\n0.178306 0.892926 0.060249 Rb\n0.549427 0.102476 0.347699 Rb\n0.821694 0.392926 0.939751 Rb\n0.678306 0.392926 0.439751 Rb\n0.049427 0.602476 0.152301 Rb\n0.716358 0.746116 0.349493 Ti\n0.685784 0.885592 0.106412 Ti\n0.216358 0.246116 0.150507 Ti\n0.283642 0.246116 0.650507 Ti\n0.814216 0.885592 0.606412 Ti\n0.185784 0.385592 0.393588 Ti\n0.783642 0.746116 0.849493 Ti\n0.314216 0.385592 0.893588 Ti\n0.490686 0.058277 0.980572 P\n0.405169 0.715322 0.270970 P\n0.990686 0.558277 0.519428 P\n0.905169 0.215322 0.229030 P\n0.594831 0.215322 0.729030 P\n0.509314 0.558277 0.019428 P\n0.094831 0.715322 0.770970 P\n0.009314 0.058277 0.480572 P\n0.269080 0.168314 0.833422 O\n0.159099 0.039140 0.365119 O\n0.139274 0.567744 0.411739 O\n0.495319 0.901630 0.984273 O\n0.905304 0.146479 0.377785 O\n0.691140 0.881628 0.753303 O\n0.513923 0.844694 0.246919 O\n0.159082 0.356374 0.012327 O\n0.769080 0.668314 0.666578 O\n0.522692 0.633594 0.362969 O\n0.659099 0.539140 0.134881 O\n0.126229 0.136496 0.576719 O\n0.639274 0.067744 0.088261 O\n0.995319 0.401630 0.515727 O\n0.873771 0.636496 0.423281 O\n0.405304 0.646479 0.122215 O\n0.477308 0.133595 0.637031 O\n0.191140 0.381628 0.746697 O\n0.840918 0.856374 0.987673 O\n0.486077 0.344694 0.753081 O\n0.013923 0.344694 0.253081 O\n0.659082 0.856374 0.487673 O\n0.308860 0.381628 0.246697 O\n0.022692 0.133595 0.137031 O\n0.094696 0.646479 0.622215 O\n0.626229 0.636496 0.923281 O\n0.504681 0.401630 0.015727 O\n0.860726 0.067744 0.588261 O\n0.373771 0.136496 0.076719 O\n0.840901 0.539140 0.634881 O\n0.977308 0.633594 0.862969 O\n0.730920 0.668314 0.166578 O\n0.340918 0.356374 0.512327 O\n0.986077 0.844694 0.746919 O\n0.808860 0.881628 0.253303 O\n0.594696 0.146479 0.877785 O\n0.004681 0.901630 0.484273 O\n0.360726 0.567744 0.911739 O\n0.340901 0.039140 0.865119 O\n0.230920 0.168314 0.333422 O\n","nsites":64,"nelements":4,"elements":["Rb","Ti","P","O"],"chemical_system":"O-P-Rb-Ti","density":3.67043985926597,"density_atomic":0.07238117809615124,"volume":884.2077689725128,"volume_molar":8.320036946621926,"formula_full":"Rb8 Ti8 P8 O40","formula_reduced":"RbTiPO5","formula_anonymous":"ABCD5","energy":-452.8765282,"energy_per_atom":-7.076195753125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-446.4365282,"band_gap":2.3171000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016088,"is_theoretical":true,"updated_at":"2021-11-28T01:36:24.579000Z","spacegroup":33},{"id":"mp-1209633","created_at":"2022-09-04T14:43:03.001945Z","structure_string":"Rb8 Ti8 P12 O48\n1.0\n10.086295 0.000000 0.000000\n0.000000 10.086295 0.000000\n0.000000 0.000000 10.086295\nRb Ti P O\n8 8 12 48\ndirect\n0.042291 0.042291 0.042291 Rb\n0.457709 0.957709 0.542291 Rb\n0.957709 0.542291 0.457709 Rb\n0.542291 0.457709 0.957709 Rb\n0.820259 0.820259 0.820259 Rb\n0.679741 0.179741 0.320259 Rb\n0.179741 0.320259 0.679741 Rb\n0.320259 0.679741 0.179741 Rb\n0.607593 0.607593 0.607593 Ti\n0.892407 0.392407 0.107593 Ti\n0.392407 0.107593 0.892407 Ti\n0.107593 0.892407 0.392407 Ti\n0.336288 0.336288 0.336288 Ti\n0.163712 0.663712 0.836288 Ti\n0.663712 0.836288 0.163712 Ti\n0.836288 0.163712 0.663712 Ti\n0.020906 0.207037 0.375608 P\n0.479094 0.792963 0.875608 P\n0.979094 0.707037 0.124392 P\n0.375608 0.020906 0.207037 P\n0.520906 0.292963 0.624392 P\n0.875608 0.479094 0.792963 P\n0.124392 0.979094 0.707037 P\n0.624392 0.520906 0.292963 P\n0.207037 0.375608 0.020906 P\n0.707037 0.124392 0.979094 P\n0.292963 0.624392 0.520906 P\n0.792963 0.875608 0.479094 P\n0.017045 0.059042 0.334301 O\n0.482955 0.940958 0.834301 O\n0.982955 0.559042 0.165699 O\n0.334301 0.017045 0.059042 O\n0.517045 0.440958 0.665699 O\n0.834301 0.482955 0.940958 O\n0.165699 0.982955 0.559042 O\n0.665699 0.517045 0.440958 O\n0.059042 0.334301 0.017045 O\n0.559042 0.165699 0.982955 O\n0.440958 0.665699 0.517045 O\n0.940958 0.834301 0.482955 O\n0.164394 0.256231 0.397552 O\n0.335606 0.743769 0.897552 O\n0.835606 0.756231 0.102448 O\n0.397552 0.164394 0.256231 O\n0.664394 0.243769 0.602448 O\n0.897552 0.335606 0.743769 O\n0.102448 0.835606 0.756231 O\n0.602448 0.664394 0.243769 O\n0.256231 0.397552 0.164394 O\n0.756231 0.102448 0.835606 O\n0.243769 0.602448 0.664394 O\n0.743769 0.897552 0.335606 O\n0.270651 0.495337 0.440128 O\n0.229349 0.504663 0.940128 O\n0.729349 0.995337 0.059872 O\n0.440128 0.270651 0.495337 O\n0.770651 0.004663 0.559872 O\n0.940128 0.229349 0.504663 O\n0.059872 0.729349 0.995337 O\n0.559872 0.770651 0.004663 O\n0.495337 0.440128 0.270651 O\n0.995337 0.059872 0.729349 O\n0.004663 0.559872 0.770651 O\n0.504663 0.940128 0.229349 O\n0.047359 0.790597 0.233844 O\n0.452641 0.209403 0.733844 O\n0.952641 0.290597 0.266156 O\n0.233844 0.047359 0.790597 O\n0.547359 0.709403 0.766156 O\n0.733844 0.452641 0.209403 O\n0.266156 0.952641 0.290597 O\n0.766156 0.547359 0.709403 O\n0.790597 0.233844 0.047359 O\n0.290597 0.266156 0.952641 O\n0.709403 0.766156 0.547359 O\n0.209403 0.733844 0.452641 O\n","nsites":76,"nelements":4,"elements":["Rb","Ti","P","O"],"chemical_system":"O-P-Rb-Ti","density":3.5704709445063125,"density_atomic":0.07406594938342997,"volume":1026.1125474346882,"volume_molar":8.130781837176142,"formula_full":"Rb8 Ti8 P12 O48","formula_reduced":"Rb2Ti2(PO4)3","formula_anonymous":"A2B2C3D12","energy":-598.54886327,"energy_per_atom":-7.875642937763158,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-565.57286327,"band_gap":0.0179,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0026636,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.844000Z","spacegroup":198},{"id":"mp-560586","created_at":"2022-09-04T14:45:20.470076Z","structure_string":"Rb2 Ti4 P6 O24\n1.0\n8.293589 -4.209870 0.000000\n8.293589 4.209870 0.000000\n6.156637 0.000000 6.971545\nRb Ti P O\n2 4 6 24\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.348567 0.348567 0.348567 Ti\n0.849824 0.849824 0.849824 Ti\n0.651433 0.651433 0.651433 Ti\n0.150176 0.150176 0.150176 Ti\n0.969940 0.250542 0.530422 P\n0.530422 0.969940 0.250542 P\n0.250542 0.530422 0.969940 P\n0.749458 0.469578 0.030060 P\n0.030060 0.749458 0.469578 P\n0.469578 0.030060 0.749458 P\n0.559276 0.442139 0.190940 O\n0.486368 0.843867 0.769863 O\n0.294176 0.083726 0.922210 O\n0.442139 0.190940 0.559276 O\n0.352565 0.988576 0.253003 O\n0.705824 0.916274 0.077790 O\n0.916274 0.077790 0.705824 O\n0.769863 0.486368 0.843867 O\n0.809060 0.440724 0.557861 O\n0.156133 0.230137 0.513632 O\n0.988576 0.253003 0.352565 O\n0.190940 0.559276 0.442139 O\n0.557861 0.809060 0.440724 O\n0.011424 0.746997 0.647435 O\n0.230137 0.513632 0.156133 O\n0.077790 0.705824 0.916274 O\n0.083726 0.922210 0.294176 O\n0.843867 0.769863 0.486368 O\n0.922210 0.294176 0.083726 O\n0.647435 0.011424 0.746997 O\n0.253003 0.352565 0.988576 O\n0.513632 0.156133 0.230137 O\n0.440724 0.557861 0.809060 O\n0.746997 0.647435 0.011424 O\n","nsites":36,"nelements":4,"elements":["Rb","Ti","P","O"],"chemical_system":"O-P-Rb-Ti","density":3.179821727343839,"density_atomic":0.07394899489158234,"volume":486.8220325750216,"volume_molar":8.143641125655794,"formula_full":"Rb2 Ti4 P6 O24","formula_reduced":"RbTi2(PO4)3","formula_anonymous":"AB2C3D12","energy":-293.65975451,"energy_per_atom":-8.157215403055556,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-277.17175451,"band_gap":2.6236,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001911,"is_theoretical":true,"updated_at":"2021-11-28T01:36:53.836000Z","spacegroup":148},{"id":"mp-17495","created_at":"2022-09-04T14:39:17.445014Z","structure_string":"Rb4 Ti4 P8 O28\n1.0\n10.432680 0.000000 0.000000\n0.000000 7.670572 0.000000\n0.000000 2.277524 8.043821\nRb Ti P O\n4 4 8 28\ndirect\n0.182824 0.189298 0.944580 Rb\n0.682824 0.810702 0.555420 Rb\n0.817176 0.810702 0.055420 Rb\n0.317176 0.189298 0.444580 Rb\n0.898355 0.237699 0.241215 Ti\n0.398355 0.762301 0.258785 Ti\n0.101645 0.762301 0.758785 Ti\n0.601645 0.237699 0.741215 Ti\n0.597472 0.131662 0.171653 P\n0.097472 0.868338 0.328347 P\n0.402528 0.868338 0.828347 P\n0.902528 0.131662 0.671653 P\n0.634368 0.435619 0.313781 P\n0.134368 0.564381 0.186219 P\n0.365632 0.564381 0.686219 P\n0.865632 0.435619 0.813781 P\n0.589313 0.154115 0.985152 O\n0.089313 0.845885 0.514848 O\n0.410687 0.845885 0.014848 O\n0.910687 0.154115 0.485152 O\n0.499446 0.997567 0.270969 O\n0.999446 0.002433 0.229031 O\n0.500554 0.002433 0.729031 O\n0.000554 0.997567 0.770969 O\n0.733618 0.083754 0.239111 O\n0.233618 0.916246 0.260889 O\n0.266382 0.916246 0.760889 O\n0.766382 0.083754 0.739111 O\n0.559065 0.328014 0.197611 O\n0.059065 0.671986 0.302389 O\n0.440935 0.671986 0.802389 O\n0.940935 0.328014 0.697611 O\n0.723312 0.445331 0.766810 O\n0.223312 0.554669 0.733190 O\n0.276688 0.554669 0.233190 O\n0.776688 0.445331 0.266810 O\n0.892318 0.324109 0.993291 O\n0.392318 0.675891 0.506709 O\n0.107682 0.675891 0.006709 O\n0.607682 0.324109 0.493291 O\n0.924283 0.624561 0.771476 O\n0.424283 0.375439 0.728524 O\n0.075717 0.375439 0.228524 O\n0.575717 0.624561 0.271476 O\n","nsites":44,"nelements":4,"elements":["Rb","Ti","P","O"],"chemical_system":"O-P-Rb-Ti","density":3.170696670112609,"density_atomic":0.06835442612702239,"volume":643.7037437522365,"volume_molar":8.810169437761225,"formula_full":"Rb4 Ti4 P8 O28","formula_reduced":"RbTiP2O7","formula_anonymous":"ABC2D7","energy":-344.00680001,"energy_per_atom":-7.8183363638636365,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-324.77080001,"band_gap":0.0,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":4.0011163,"is_theoretical":false,"updated_at":"2021-11-28T01:34:43.530000Z","spacegroup":14},{"id":"mp-1199924","created_at":"2022-09-04T14:44:17.177825Z","structure_string":"Rb4 Ti6 P8 O36\n1.0\n16.985112 0.000000 0.000000\n0.000000 5.304011 0.000000\n0.000000 5.233519 8.652570\nRb Ti P O\n4 6 8 36\ndirect\n0.127668 0.467911 0.859352 Rb\n0.627668 0.532089 0.640648 Rb\n0.872332 0.532089 0.140648 Rb\n0.372332 0.467911 0.359352 Rb\n0.165683 0.955745 0.347629 Ti\n0.665683 0.044255 0.152371 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.834317 0.044255 0.652371 Ti\n0.334317 0.955745 0.847629 Ti\n0.916465 0.367949 0.826500 P\n0.416465 0.632051 0.673500 P\n0.083535 0.632051 0.173500 P\n0.583535 0.367949 0.326500 P\n0.818874 0.755617 0.423313 P\n0.318874 0.244383 0.076687 P\n0.181126 0.244383 0.576687 P\n0.681126 0.755617 0.923313 P\n0.278953 0.073720 0.234453 O\n0.778953 0.926280 0.265547 O\n0.144063 0.832212 0.193830 O\n0.644063 0.167788 0.306170 O\n0.130784 0.367986 0.184445 O\n0.630784 0.632014 0.315555 O\n0.202559 0.120137 0.473387 O\n0.702559 0.879863 0.026613 O\n0.214421 0.570290 0.490881 O\n0.714421 0.429710 0.009119 O\n0.071992 0.826619 0.433376 O\n0.571992 0.173381 0.066624 O\n0.979467 0.485623 0.697332 O\n0.479467 0.514377 0.802668 O\n0.093093 0.239235 0.602354 O\n0.593093 0.760765 0.897646 O\n0.020533 0.514377 0.302668 O\n0.520533 0.485623 0.197332 O\n0.906907 0.760765 0.397646 O\n0.406907 0.239235 0.102354 O\n0.928008 0.173381 0.566624 O\n0.428008 0.826619 0.933376 O\n0.855937 0.167788 0.806170 O\n0.355937 0.832212 0.693830 O\n0.869216 0.632014 0.815555 O\n0.369216 0.367986 0.684445 O\n0.785579 0.429710 0.509119 O\n0.285579 0.570290 0.990881 O\n0.797441 0.879863 0.526613 O\n0.297441 0.120137 0.973387 O\n0.721047 0.926280 0.765547 O\n0.221047 0.073720 0.734453 O\n0.955012 0.213676 0.988030 O\n0.455012 0.786324 0.511970 O\n0.044988 0.786324 0.011970 O\n0.544988 0.213676 0.488030 O\n","nsites":54,"nelements":4,"elements":["Rb","Ti","P","O"],"chemical_system":"O-P-Rb-Ti","density":3.0949200919468365,"density_atomic":0.06927488401456457,"volume":779.5032899462794,"volume_molar":8.693108398036275,"formula_full":"Rb4 Ti6 P8 O36","formula_reduced":"Rb2Ti3(P2O9)2","formula_anonymous":"A2B3C4D18","energy":-427.21688730000005,"energy_per_atom":-7.91142383888889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-402.4848873,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0123944,"is_theoretical":false,"updated_at":"2021-11-28T01:36:30.808000Z","spacegroup":14},{"id":"mp-6390","created_at":"2022-09-04T14:41:53.475930Z","structure_string":"Rb12 Ti12 P20 O80\n1.0\n6.376701 0.000000 0.000000\n0.000000 15.038295 0.000000\n0.000000 0.000000 18.623521\nRb Ti P O\n12 12 20 80\ndirect\n0.365775 0.223924 0.350929 Rb\n0.634225 0.723924 0.649071 Rb\n0.634225 0.223924 0.850929 Rb\n0.365775 0.723924 0.149071 Rb\n0.342885 0.445275 0.175639 Rb\n0.657115 0.945275 0.824361 Rb\n0.657115 0.445275 0.675639 Rb\n0.342885 0.945275 0.324361 Rb\n0.367055 0.169097 0.152590 Rb\n0.632945 0.669097 0.847410 Rb\n0.632945 0.169097 0.652590 Rb\n0.367055 0.669097 0.347410 Rb\n0.755102 0.332621 0.050803 Ti\n0.244898 0.832621 0.949197 Ti\n0.244898 0.332621 0.550803 Ti\n0.755102 0.832621 0.449197 Ti\n0.748398 0.943240 0.146758 Ti\n0.251602 0.443240 0.853242 Ti\n0.251602 0.943240 0.646758 Ti\n0.748398 0.443240 0.353242 Ti\n0.244899 0.069617 0.954792 Ti\n0.755101 0.569617 0.045208 Ti\n0.755101 0.069617 0.454792 Ti\n0.244899 0.569617 0.545208 Ti\n0.857463 0.096237 0.276883 P\n0.142537 0.596237 0.723117 P\n0.142537 0.096237 0.776883 P\n0.857463 0.596237 0.223117 P\n0.253915 0.301770 0.000750 P\n0.746085 0.801770 0.999250 P\n0.746085 0.301770 0.500750 P\n0.253915 0.801770 0.499250 P\n0.246773 0.946084 0.101247 P\n0.753227 0.446084 0.898753 P\n0.753227 0.946084 0.601247 P\n0.246773 0.446084 0.398753 P\n0.745900 0.099404 0.009184 P\n0.254100 0.599404 0.990816 P\n0.254100 0.099404 0.509184 P\n0.745900 0.599404 0.490816 P\n0.855853 0.287625 0.226518 P\n0.144147 0.787625 0.773482 P\n0.144147 0.287625 0.726518 P\n0.855853 0.787625 0.273482 P\n0.740079 0.859160 0.068329 O\n0.259921 0.359160 0.931671 O\n0.259921 0.859160 0.568329 O\n0.740079 0.359160 0.431671 O\n0.442695 0.326153 0.049607 O\n0.557305 0.826153 0.950393 O\n0.557305 0.326153 0.549607 O\n0.442695 0.826153 0.450393 O\n0.941975 0.076534 0.963589 O\n0.058025 0.576534 0.036411 O\n0.058025 0.076534 0.463589 O\n0.941975 0.576534 0.536411 O\n0.741538 0.198531 0.028321 O\n0.258462 0.698531 0.971679 O\n0.258462 0.198531 0.528321 O\n0.741538 0.698531 0.471679 O\n0.741747 0.839696 0.213506 O\n0.258253 0.339696 0.786494 O\n0.258253 0.839696 0.713506 O\n0.741747 0.339696 0.286494 O\n0.744980 0.023155 0.232833 O\n0.255020 0.523155 0.767167 O\n0.255020 0.023155 0.732833 O\n0.744980 0.523155 0.267167 O\n0.771734 0.185785 0.236972 O\n0.228266 0.685785 0.763028 O\n0.228266 0.185785 0.736972 O\n0.771734 0.685785 0.263028 O\n0.751500 0.452351 0.069472 O\n0.248500 0.952351 0.930528 O\n0.258468 0.202923 0.981627 O\n0.248500 0.452351 0.569472 O\n0.248674 0.102960 0.851565 O\n0.751326 0.602960 0.148435 O\n0.751326 0.102960 0.351565 O\n0.248674 0.602960 0.648435 O\n0.746675 0.309737 0.154684 O\n0.253325 0.809737 0.845316 O\n0.253325 0.309737 0.654684 O\n0.746675 0.809737 0.345316 O\n0.092537 0.093596 0.277576 O\n0.907463 0.593596 0.722424 O\n0.907463 0.093596 0.777576 O\n0.092537 0.593596 0.222424 O\n0.090638 0.792076 0.272930 O\n0.909362 0.292076 0.727070 O\n0.909362 0.792076 0.772930 O\n0.090638 0.292076 0.227070 O\n0.557664 0.575324 0.540326 O\n0.442336 0.075324 0.459674 O\n0.442336 0.575324 0.040326 O\n0.557664 0.075324 0.959674 O\n0.738777 0.543917 0.420311 O\n0.261223 0.043917 0.579689 O\n0.261223 0.543917 0.920311 O\n0.738777 0.043917 0.079689 O\n0.048054 0.444466 0.351000 O\n0.951946 0.944466 0.649000 O\n0.951946 0.444466 0.851000 O\n0.048054 0.944466 0.149000 O\n0.435689 0.443829 0.346479 O\n0.564311 0.943829 0.653521 O\n0.564311 0.443829 0.846479 O\n0.435689 0.943829 0.153521 O\n0.750198 0.862024 0.553669 O\n0.249802 0.362024 0.446331 O\n0.249802 0.862024 0.053669 O\n0.750198 0.362024 0.946331 O\n0.250626 0.533395 0.441944 O\n0.749374 0.033395 0.558056 O\n0.749374 0.533395 0.941944 O\n0.250626 0.033395 0.058056 O\n0.058063 0.824813 0.453666 O\n0.941937 0.324813 0.546334 O\n0.941937 0.824813 0.953666 O\n0.058063 0.324813 0.046334 O\n0.258468 0.702923 0.518373 O\n0.741532 0.202923 0.481627 O\n0.741532 0.702923 0.018373 O\n0.751500 0.952351 0.430528 O\n","nsites":124,"nelements":4,"elements":["Rb","Ti","P","O"],"chemical_system":"O-P-Rb-Ti","density":3.2538071056411413,"density_atomic":0.06943288941656839,"volume":1785.8971597170857,"volume_molar":8.673325869919752,"formula_full":"Rb12 Ti12 P20 O80","formula_reduced":"Rb3Ti3(PO4)5","formula_anonymous":"A3B3C5D20","energy":-980.34983834,"energy_per_atom":-7.906047083387097,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-925.38983834,"band_gap":2.4621,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.3237917,"is_theoretical":false,"updated_at":"2021-11-28T01:35:33.469000Z","spacegroup":29},{"id":"mp-555319","created_at":"2022-09-04T14:42:57.768725Z","structure_string":"Rb12 Ti12 P20 O80\n1.0\n6.375058 0.000000 0.000000\n0.000000 15.085318 0.000000\n0.000000 0.000000 18.679486\nRb Ti P O\n12 12 20 80\ndirect\n0.633001 0.472225 0.849056 Rb\n0.659530 0.750000 0.826644 Rb\n0.366999 0.027775 0.349056 Rb\n0.633001 0.527775 0.650944 Rb\n0.366999 0.527775 0.150944 Rb\n0.633001 0.027775 0.849056 Rb\n0.633001 0.972225 0.650944 Rb\n0.659530 0.250000 0.673356 Rb\n0.340470 0.750000 0.326644 Rb\n0.340470 0.250000 0.173356 Rb\n0.366999 0.972225 0.150944 Rb\n0.366999 0.472225 0.349056 Rb\n0.254723 0.250000 0.853074 Ti\n0.756419 0.368203 0.047117 Ti\n0.756419 0.631797 0.452883 Ti\n0.243581 0.131797 0.547117 Ti\n0.756419 0.868203 0.452883 Ti\n0.254723 0.750000 0.646926 Ti\n0.243581 0.631797 0.952883 Ti\n0.243581 0.368203 0.547117 Ti\n0.745277 0.750000 0.146926 Ti\n0.745277 0.250000 0.353074 Ti\n0.756419 0.131797 0.047117 Ti\n0.243581 0.868203 0.952883 Ti\n0.745595 0.101031 0.495558 P\n0.243066 0.250000 0.398379 P\n0.745595 0.398969 0.495558 P\n0.254405 0.601031 0.504442 P\n0.146468 0.595899 0.775667 P\n0.745595 0.601031 0.004442 P\n0.146468 0.404101 0.724333 P\n0.853532 0.904101 0.275667 P\n0.853532 0.095899 0.224333 P\n0.243066 0.750000 0.101621 P\n0.745595 0.898969 0.004442 P\n0.254405 0.898969 0.504442 P\n0.853532 0.404101 0.224333 P\n0.146468 0.904101 0.775667 P\n0.254405 0.101031 0.995558 P\n0.756934 0.250000 0.898379 P\n0.254405 0.398969 0.995558 P\n0.853532 0.595899 0.275667 P\n0.756934 0.750000 0.601621 P\n0.146468 0.095899 0.724333 P\n0.744277 0.002037 0.477489 O\n0.088471 0.098805 0.225088 O\n0.753939 0.835577 0.556443 O\n0.954925 0.250000 0.850411 O\n0.255723 0.997963 0.522511 O\n0.911529 0.401195 0.725088 O\n0.261573 0.343341 0.925575 O\n0.432994 0.250000 0.346728 O\n0.748413 0.396594 0.149996 O\n0.246061 0.335577 0.443557 O\n0.059904 0.874698 0.458626 O\n0.940096 0.374698 0.541374 O\n0.246061 0.664423 0.056443 O\n0.255723 0.497963 0.977489 O\n0.251587 0.603406 0.850004 O\n0.744277 0.502037 0.022511 O\n0.738252 0.840617 0.224074 O\n0.555673 0.374896 0.543982 O\n0.251587 0.103406 0.649996 O\n0.261748 0.659383 0.724074 O\n0.261748 0.159383 0.775926 O\n0.261573 0.843341 0.574425 O\n0.432994 0.750000 0.153272 O\n0.255723 0.502037 0.522511 O\n0.236686 0.500000 0.750000 O\n0.738252 0.659383 0.224074 O\n0.738252 0.159383 0.275926 O\n0.236686 0.000000 0.750000 O\n0.251587 0.896594 0.850004 O\n0.763314 0.500000 0.250000 O\n0.088471 0.901195 0.274912 O\n0.248625 0.750000 0.931505 O\n0.246061 0.164423 0.443557 O\n0.911529 0.598805 0.774912 O\n0.744277 0.497963 0.477489 O\n0.753939 0.335577 0.943557 O\n0.940096 0.125302 0.541374 O\n0.444327 0.625104 0.456018 O\n0.059904 0.374698 0.041374 O\n0.738427 0.156659 0.425575 O\n0.753939 0.664423 0.556443 O\n0.753939 0.164423 0.943557 O\n0.444327 0.874896 0.456018 O\n0.045075 0.750000 0.149589 O\n0.954925 0.750000 0.649589 O\n0.261573 0.656659 0.574425 O\n0.555673 0.125104 0.543982 O\n0.738427 0.843341 0.074425 O\n0.567006 0.750000 0.653272 O\n0.261748 0.340617 0.775926 O\n0.751375 0.250000 0.068495 O\n0.738427 0.343341 0.425575 O\n0.059904 0.125302 0.041374 O\n0.940096 0.625302 0.958626 O\n0.059904 0.625302 0.458626 O\n0.444327 0.125104 0.043982 O\n0.763314 0.000000 0.250000 O\n0.555673 0.625104 0.956018 O\n0.261573 0.156659 0.925575 O\n0.255723 0.002037 0.977489 O\n0.444327 0.374896 0.043982 O\n0.567006 0.250000 0.846728 O\n0.248625 0.250000 0.568495 O\n0.748413 0.603406 0.350004 O\n0.261748 0.840617 0.724074 O\n0.940096 0.874698 0.958626 O\n0.744277 0.997963 0.022511 O\n0.738252 0.340617 0.275926 O\n0.251587 0.396594 0.649996 O\n0.246061 0.835577 0.056443 O\n0.045075 0.250000 0.350411 O\n0.748413 0.896594 0.350004 O\n0.555673 0.874896 0.956018 O\n0.911529 0.901195 0.774912 O\n0.751375 0.750000 0.431505 O\n0.748413 0.103406 0.149996 O\n0.088471 0.598805 0.274912 O\n0.911529 0.098805 0.725088 O\n0.738427 0.656659 0.074425 O\n0.088471 0.401195 0.225088 O\n","nsites":124,"nelements":4,"elements":["Rb","Ti","P","O"],"chemical_system":"O-P-Rb-Ti","density":3.234779768799289,"density_atomic":0.06902686566287332,"volume":1796.4020068014538,"volume_molar":8.724343343955509,"formula_full":"Rb12 Ti12 P20 O80","formula_reduced":"Rb3Ti3(PO4)5","formula_anonymous":"A3B3C5D20","energy":-980.29783248,"energy_per_atom":-7.905627681290323,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-925.33783248,"band_gap":2.5974000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.3216438,"is_theoretical":false,"updated_at":"2021-11-28T01:35:58.498000Z","spacegroup":57}]}