{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nsites&page=10242","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nsites&page=10240","results":[{"id":"mp-1213557","created_at":"2022-09-04T14:39:12.547106Z","structure_string":"Dy4 S6 O40\n1.0\n3.331570 6.785853 0.000000\n-3.331570 6.785853 0.000000\n0.000000 2.595246 17.986785\nDy S O\n4 6 40\ndirect\n0.815256 0.844471 0.892774 Dy\n0.184744 0.155529 0.107226 Dy\n0.155529 0.184744 0.607226 Dy\n0.844471 0.815256 0.392774 Dy\n0.753039 0.804863 0.591867 S\n0.246961 0.195137 0.408133 S\n0.195137 0.246961 0.908133 S\n0.804863 0.753039 0.091867 S\n0.720082 0.279918 0.750000 S\n0.279918 0.720082 0.250000 S\n0.341767 0.279542 0.688314 O\n0.658233 0.720458 0.311686 O\n0.720458 0.658233 0.811686 O\n0.279542 0.341767 0.188314 O\n0.301314 0.386398 0.576051 O\n0.698686 0.613602 0.423949 O\n0.613602 0.698686 0.923949 O\n0.386398 0.301314 0.076051 O\n0.521727 0.877947 0.615072 O\n0.478273 0.122053 0.384928 O\n0.122053 0.478273 0.884928 O\n0.877947 0.521727 0.115072 O\n0.757963 0.897094 0.515065 O\n0.242037 0.102906 0.484935 O\n0.102906 0.242037 0.984935 O\n0.897094 0.757963 0.015065 O\n0.550763 0.376028 0.692634 O\n0.449237 0.623972 0.307366 O\n0.623972 0.449237 0.807366 O\n0.376028 0.550763 0.192634 O\n0.814952 0.883617 0.647050 O\n0.185048 0.116383 0.352950 O\n0.116383 0.185048 0.852950 O\n0.883617 0.814952 0.147050 O\n0.444631 0.096595 0.907834 O\n0.555369 0.903405 0.092166 O\n0.903405 0.555369 0.592166 O\n0.096595 0.444631 0.407834 O\n0.101955 0.880558 0.616559 O\n0.898045 0.119442 0.383441 O\n0.119442 0.898045 0.883441 O\n0.880558 0.101955 0.116559 O\n0.821709 0.107986 0.945164 O\n0.178291 0.892014 0.054836 O\n0.892014 0.178291 0.554836 O\n0.107986 0.821709 0.445164 O\n0.768169 0.069204 0.787617 O\n0.231831 0.930796 0.212383 O\n0.930796 0.231831 0.712383 O\n0.069204 0.768169 0.287617 O\n","nsites":50,"nelements":3,"elements":["Dy","S","O"],"chemical_system":"Dy-O-S","density":3.026687711626111,"density_atomic":0.06147988904991627,"volume":813.2740766562606,"volume_molar":9.795301932166062,"formula_full":"Dy4 S6 O40","formula_reduced":"Dy2S3O20","formula_anonymous":"A2B3C20","energy":-298.66035828,"energy_per_atom":-5.973207165600001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-271.18035828,"band_gap":0.4167999999999998,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.1027368,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.511000Z","spacegroup":15},{"id":"mp-1196445","created_at":"2022-09-04T14:39:18.743297Z","structure_string":"K4 La2 N10 O34\n1.0\n0.000000 6.180054 10.750368\n5.677133 0.000000 10.750368\n5.677133 6.180054 0.000000\nK La N O\n4 2 10 34\ndirect\n0.572775 0.719757 0.893821 K\n0.893821 0.813647 0.572775 K\n0.436353 0.356179 0.530243 K\n0.530243 0.677225 0.436353 K\n0.250878 0.249122 0.250878 La\n0.000878 0.999122 0.000878 La\n0.042944 0.439443 0.589284 N\n0.589284 0.928329 0.042944 N\n0.321671 0.660716 0.810557 N\n0.810557 0.207056 0.321671 N\n0.909885 0.437331 0.174693 N\n0.174693 0.478090 0.909885 N\n0.771910 0.075307 0.812669 N\n0.812669 0.340115 0.771910 N\n0.509061 0.990939 0.509061 N\n0.259061 0.740939 0.259061 N\n0.110066 0.292393 0.586214 O\n0.586214 0.011328 0.110066 O\n0.238672 0.663786 0.957607 O\n0.957607 0.139934 0.238672 O\n0.089228 0.492852 0.452833 O\n0.452833 0.965087 0.089228 O\n0.284913 0.797167 0.757148 O\n0.757148 0.160772 0.284913 O\n0.937767 0.529318 0.714682 O\n0.714682 0.818234 0.937767 O\n0.431766 0.535318 0.720682 O\n0.720682 0.312233 0.431766 O\n0.906691 0.473520 0.304733 O\n0.304733 0.315056 0.906691 O\n0.934944 0.945267 0.776480 O\n0.776480 0.343309 0.934944 O\n0.057102 0.315410 0.086342 O\n0.086342 0.541146 0.057102 O\n0.708854 0.163658 0.934590 O\n0.934590 0.192898 0.708854 O\n0.774483 0.518246 0.136597 O\n0.136597 0.570674 0.774483 O\n0.679326 0.113403 0.731754 O\n0.731754 0.475517 0.679326 O\n0.463513 0.129560 0.448292 O\n0.448292 0.958634 0.463513 O\n0.291366 0.801708 0.120440 O\n0.120440 0.786487 0.291366 O\n0.610019 0.889981 0.610019 O\n0.360019 0.639981 0.360019 O\n0.170666 0.082217 0.387731 O\n0.387731 0.359387 0.170666 O\n0.890613 0.862269 0.167783 O\n0.167783 0.079334 0.890613 O\n","nsites":50,"nelements":4,"elements":["K","La","N","O"],"chemical_system":"K-La-N-O","density":2.461578139663371,"density_atomic":0.06628195950898547,"volume":754.3530754129529,"volume_molar":9.085640805751396,"formula_full":"K4 La2 N10 O34","formula_reduced":"K2LaN5O17","formula_anonymous":"AB2C5D17","energy":-325.36326222,"energy_per_atom":-6.5072652444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-302.00526222,"band_gap":0.1928999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9981092,"is_theoretical":false,"updated_at":"2021-11-28T01:34:35.577000Z","spacegroup":43},{"id":"mp-1201567","created_at":"2022-09-04T14:39:15.878396Z","structure_string":"V6 P4 O40\n1.0\n0.147452 0.000000 6.179113\n7.897730 0.000000 -0.157636\n0.000000 17.178058 0.000000\nV P O\n6 4 40\ndirect\n0.002667 0.378781 0.760648 V\n0.502667 0.878781 0.739352 V\n0.997333 0.621219 0.239352 V\n0.497333 0.121219 0.260648 V\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.999438 0.954659 0.805568 P\n0.499438 0.454659 0.694432 P\n0.000562 0.045341 0.194432 P\n0.500562 0.545341 0.305568 P\n0.985714 0.179720 0.601917 O\n0.485714 0.679720 0.898083 O\n0.014286 0.820280 0.398083 O\n0.514286 0.320280 0.101917 O\n0.999295 0.146881 0.791324 O\n0.499295 0.646881 0.708676 O\n0.000705 0.853119 0.208676 O\n0.500705 0.353119 0.291324 O\n0.699572 0.370237 0.733634 O\n0.199572 0.870237 0.766366 O\n0.300428 0.629763 0.266366 O\n0.800428 0.129763 0.233634 O\n0.304915 0.370174 0.736345 O\n0.804915 0.870174 0.763655 O\n0.695085 0.629826 0.263655 O\n0.195085 0.129826 0.236345 O\n0.001200 0.502206 0.835326 O\n0.501200 0.002206 0.664674 O\n0.998800 0.497794 0.164674 O\n0.498800 0.997794 0.335326 O\n0.996036 0.508162 0.673267 O\n0.496036 0.008162 0.826733 O\n0.003964 0.491838 0.326733 O\n0.503964 0.991838 0.173267 O\n0.741388 0.109344 0.984204 O\n0.241388 0.609344 0.515796 O\n0.258612 0.890656 0.015796 O\n0.758612 0.390656 0.484204 O\n0.861933 0.809911 0.034012 O\n0.361933 0.309911 0.465988 O\n0.138067 0.190089 0.965988 O\n0.638067 0.690089 0.534012 O\n0.992912 0.908366 0.891570 O\n0.492912 0.408366 0.608430 O\n0.007088 0.091634 0.108430 O\n0.507088 0.591634 0.391570 O\n0.349610 0.378034 0.073847 O\n0.849610 0.878034 0.426153 O\n0.650390 0.621966 0.926153 O\n0.150390 0.121966 0.573847 O\n","nsites":50,"nelements":3,"elements":["V","P","O"],"chemical_system":"O-P-V","density":2.117525938182706,"density_atomic":0.05961570935926088,"volume":838.705108727065,"volume_molar":10.101600441770978,"formula_full":"V6 P4 O40","formula_reduced":"V3(PO10)2","formula_anonymous":"A2B3C20","energy":-328.83548513,"energy_per_atom":-6.5767097026,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-312.19548513,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.2136461,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.882000Z","spacegroup":14},{"id":"mp-1216434","created_at":"2022-09-04T14:39:25.958401Z","structure_string":"Zr8 Ti2 Pb10 O30\n1.0\n5.883601 -0.000726 0.000518\n-2.941582 1.701262 4.885221\n0.003359 -23.787010 4.876481\nZr Ti Pb O\n8 2 10 30\ndirect\n0.120317 0.240242 0.299889 Zr\n0.520238 0.040431 0.502078 Zr\n0.920852 0.841186 0.703646 Zr\n0.323093 0.645663 0.905884 Zr\n0.722014 0.444148 0.103050 Zr\n0.820170 0.639571 0.401110 Zr\n0.220332 0.440562 0.602904 Zr\n0.620395 0.241422 0.804490 Zr\n0.023655 0.048540 0.004467 Ti\n0.424614 0.847482 0.202303 Ti\n0.105461 0.211106 0.156126 Pb\n0.501537 0.000518 0.354970 Pb\n0.901584 0.803036 0.557423 Pb\n0.302183 0.604246 0.758711 Pb\n0.705657 0.413952 0.959834 Pb\n0.200954 0.402679 0.456909 Pb\n0.601671 0.203288 0.657944 Pb\n0.002942 0.003180 0.861592 Pb\n0.400926 0.801588 0.057308 Pb\n0.799206 0.600095 0.252943 Pb\n0.280994 0.506111 0.244734 O\n0.683700 0.298210 0.445162 O\n0.084576 0.097913 0.646469 O\n0.481047 0.896534 0.848181 O\n0.878518 0.702847 0.047299 O\n0.435976 0.384233 0.355565 O\n0.837328 0.185874 0.558049 O\n0.239253 0.986363 0.759024 O\n0.649834 0.795210 0.959562 O\n0.045082 0.591504 0.156833 O\n0.921561 0.396784 0.342561 O\n0.320002 0.200338 0.543829 O\n0.719469 0.000961 0.745108 O\n0.123425 0.806552 0.948259 O\n0.524531 0.601899 0.146122 O\n0.754477 0.991381 0.241617 O\n0.178864 0.799442 0.443261 O\n0.580966 0.600764 0.644375 O\n0.978666 0.399944 0.847667 O\n0.354216 0.190761 0.044893 O\n0.257155 0.981891 0.252002 O\n0.648784 0.785555 0.457083 O\n0.048227 0.586184 0.658610 O\n0.445352 0.386393 0.859957 O\n0.854589 0.181690 0.054320 O\n0.917583 0.896851 0.343550 O\n0.313484 0.697887 0.545871 O\n0.714030 0.497843 0.747298 O\n0.117580 0.286533 0.952192 O\n0.518752 0.084256 0.149225 O\n","nsites":50,"nelements":4,"elements":["Zr","Ti","Pb","O"],"chemical_system":"O-Pb-Ti-Zr","density":7.65621676663202,"density_atomic":0.06825567115409295,"volume":732.5398630557859,"volume_molar":8.822916335266132,"formula_full":"Zr8 Ti2 Pb10 O30","formula_reduced":"Zr4Ti(PbO3)5","formula_anonymous":"AB4C5D15","energy":-410.49942607,"energy_per_atom":-8.2099885214,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-389.88942607,"band_gap":2.8584000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001458,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.801000Z","spacegroup":1},{"id":"mp-1222932","created_at":"2022-09-04T14:39:25.634746Z","structure_string":"Li7 Ho3 Mo8 O32\n1.0\n6.826064 0.000000 0.000000\n2.589617 9.640722 0.000000\n1.154857 4.187780 9.859152\nLi Ho Mo O\n7 3 8 32\ndirect\n0.501421 0.500014 0.501516 Li\n0.999971 0.000752 0.500210 Li\n0.439430 0.150901 0.632212 Li\n0.935976 0.645935 0.637741 Li\n0.058726 0.349425 0.368494 Li\n0.560470 0.849854 0.368276 Li\n0.766892 0.455725 0.934158 Li\n0.271852 0.955315 0.938568 Ho\n0.726869 0.048694 0.058419 Ho\n0.231309 0.543289 0.056428 Ho\n0.385746 0.766949 0.702210 Mo\n0.885506 0.269580 0.702093 Mo\n0.115564 0.730870 0.298658 Mo\n0.614834 0.232203 0.298562 Mo\n0.345895 0.356565 0.819912 Mo\n0.841890 0.858300 0.821351 Mo\n0.155061 0.144431 0.177546 Mo\n0.658614 0.642404 0.177051 Mo\n0.588767 0.288943 0.908447 O\n0.088395 0.793886 0.912544 O\n0.913528 0.199647 0.093423 O\n0.410510 0.707098 0.087123 O\n0.637176 0.301600 0.640086 O\n0.136326 0.802260 0.640953 O\n0.863530 0.200148 0.359040 O\n0.362740 0.699386 0.359639 O\n0.055125 0.260748 0.567862 O\n0.557685 0.760870 0.568217 O\n0.445121 0.235536 0.433432 O\n0.944928 0.736611 0.432388 O\n0.437312 0.598263 0.860244 O\n0.945559 0.094087 0.864788 O\n0.054579 0.901967 0.136874 O\n0.549095 0.405549 0.145172 O\n0.295060 0.198894 0.794687 O\n0.793844 0.705328 0.795851 O\n0.201144 0.301100 0.205219 O\n0.701232 0.800722 0.204153 O\n0.318151 0.511142 0.660476 O\n0.816730 0.010630 0.661343 O\n0.180229 0.990809 0.336999 O\n0.685187 0.491591 0.338280 O\n0.642475 0.922439 0.929710 O\n0.158475 0.415661 0.931783 O\n0.860374 0.586847 0.073319 O\n0.353741 0.077505 0.070640 O\n0.385912 0.934199 0.734859 O\n0.891586 0.434944 0.726702 O\n0.116970 0.564186 0.267794 O\n0.612488 0.066199 0.264549 O\n","nsites":50,"nelements":4,"elements":["Li","Ho","Mo","O"],"chemical_system":"Ho-Li-Mo-O","density":4.665384093084795,"density_atomic":0.07706381887331558,"volume":648.81290248793,"volume_molar":7.814485251372938,"formula_full":"Li7 Ho3 Mo8 O32","formula_reduced":"Li7Ho3(MoO4)8","formula_anonymous":"A3B7C8D32","energy":-394.33113263,"energy_per_atom":-7.8866226526,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-346.73113263,"band_gap":3.3789,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002176,"is_theoretical":true,"updated_at":"2021-11-28T01:34:23.738000Z","spacegroup":1},{"id":"mp-1218723","created_at":"2022-09-04T14:39:26.134791Z","structure_string":"Sr6 Ca2 Nd2 Mn10 O30\n1.0\n5.503907 0.000000 0.000000\n-2.509176 9.093001 0.000000\n-2.674329 -2.348309 11.567069\nSr Ca Nd Mn O\n6 2 2 10 30\ndirect\n0.948619 0.551315 0.349434 Sr\n0.345204 0.148772 0.550707 Sr\n0.452265 0.050709 0.853007 Sr\n0.850954 0.649676 0.049307 Sr\n0.650942 0.851538 0.448096 Sr\n0.050973 0.448523 0.651890 Sr\n0.152396 0.349633 0.950588 Ca\n0.552565 0.950762 0.153584 Ca\n0.751264 0.749151 0.746141 Nd\n0.244124 0.250211 0.246991 Nd\n0.498002 0.498772 0.498459 Mn\n0.700762 0.300056 0.097942 Mn\n0.098165 0.900297 0.297528 Mn\n0.900996 0.101637 0.702229 Mn\n0.301493 0.700260 0.902785 Mn\n0.599201 0.399680 0.801553 Mn\n0.796760 0.198294 0.398232 Mn\n0.199840 0.800152 0.600244 Mn\n0.002371 0.000184 0.001384 Mn\n0.401646 0.601654 0.198408 Mn\n0.148891 0.349879 0.442450 O\n0.352214 0.151054 0.057935 O\n0.747574 0.750280 0.244832 O\n0.551218 0.941731 0.657191 O\n0.950762 0.556274 0.849713 O\n0.247001 0.251337 0.754308 O\n0.444701 0.056190 0.338133 O\n0.847809 0.649227 0.554387 O\n0.658343 0.849508 0.948630 O\n0.050963 0.444875 0.151504 O\n0.429001 0.570895 0.355809 O\n0.610161 0.372537 0.957975 O\n0.013857 0.981546 0.159098 O\n0.822196 0.165967 0.554986 O\n0.212003 0.769163 0.758467 O\n0.569107 0.429464 0.642918 O\n0.782484 0.222422 0.238929 O\n0.173167 0.831667 0.443285 O\n0.967387 0.016287 0.841558 O\n0.362854 0.614717 0.038246 O\n0.366605 0.645024 0.576400 O\n0.549802 0.435670 0.174920 O\n0.960646 0.044981 0.370266 O\n0.766307 0.245248 0.777966 O\n0.179272 0.849126 0.982204 O\n0.628714 0.352554 0.420693 O\n0.863255 0.167858 0.026290 O\n0.251903 0.763565 0.225012 O\n0.034926 0.951508 0.631486 O\n0.458337 0.568169 0.825897 O\n","nsites":50,"nelements":5,"elements":["Sr","Ca","Nd","Mn","O"],"chemical_system":"Ca-Mn-Nd-O-Sr","density":5.518103711176358,"density_atomic":0.08637108042396208,"volume":578.8974707109072,"volume_molar":6.972404108458121,"formula_full":"Sr6 Ca2 Nd2 Mn10 O30","formula_reduced":"Sr3CaNdMn5O15","formula_anonymous":"ABC3D5E15","energy":-392.69781246,"energy_per_atom":-7.8539562492,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-355.40781246,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":31.9978554,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.940000Z","spacegroup":1},{"id":"mp-1200418","created_at":"2022-09-04T14:39:26.565331Z","structure_string":"Na8 Th2 W8 O32\n1.0\n-5.838358 5.838358 6.020655\n5.838358 -5.838358 6.020655\n5.838358 5.838358 -6.020655\nNa Th W O\n8 2 8 32\ndirect\n0.148609 0.750770 0.839103 Na\n0.911667 0.309506 0.160897 Na\n0.500770 0.161667 0.102161 Na\n0.059506 0.398609 0.897839 Na\n0.601391 0.499230 0.660897 Na\n0.838333 0.940494 0.339103 Na\n0.249230 0.088333 0.397839 Na\n0.690494 0.851391 0.602161 Na\n0.500000 0.500000 0.000000 Th\n0.250000 0.750000 0.500000 Th\n0.573888 0.846496 0.909783 W\n0.936714 0.664105 0.090217 W\n0.596496 0.186714 0.772609 W\n0.414105 0.823888 0.227391 W\n0.176112 0.403504 0.590217 W\n0.813286 0.585895 0.409783 W\n0.153504 0.063286 0.727391 W\n0.335895 0.426112 0.272609 W\n0.599159 0.771835 0.052919 O\n0.718915 0.546239 0.947081 O\n0.521835 0.968915 0.672676 O\n0.296239 0.849159 0.327324 O\n0.150841 0.478165 0.447081 O\n0.031085 0.703761 0.552919 O\n0.228165 0.281085 0.827324 O\n0.453761 0.400841 0.172676 O\n0.348560 0.611217 0.090175 O\n0.521042 0.258385 0.909825 O\n0.361217 0.771042 0.762657 O\n0.008385 0.598560 0.237343 O\n0.401440 0.638783 0.409825 O\n0.228958 0.991615 0.590175 O\n0.388783 0.478958 0.737343 O\n0.741615 0.651440 0.262657 O\n0.674823 0.060191 0.028228 O\n0.031964 0.646596 0.971772 O\n0.810191 0.281964 0.885368 O\n0.396596 0.924823 0.114632 O\n0.075177 0.189809 0.471772 O\n0.718036 0.603404 0.528228 O\n0.939809 0.968036 0.614632 O\n0.353404 0.325177 0.385368 O\n0.081368 0.464013 0.698667 O\n0.765346 0.382701 0.301333 O\n0.214013 0.015346 0.882645 O\n0.132701 0.331368 0.117355 O\n0.668632 0.785987 0.801333 O\n0.984654 0.867299 0.198667 O\n0.535987 0.234654 0.617355 O\n0.617299 0.918632 0.382645 O\n","nsites":50,"nelements":4,"elements":["Na","Th","W","O"],"chemical_system":"Na-O-Th-W","density":5.321504484711129,"density_atomic":0.06090947101163868,"volume":820.890399630066,"volume_molar":9.887035070209818,"formula_full":"Na8 Th2 W8 O32","formula_reduced":"Na4Th(WO4)4","formula_anonymous":"AB4C4D16","energy":-410.65781607,"energy_per_atom":-8.2131563214,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-353.16981607,"band_gap":4.685300000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0350039,"is_theoretical":false,"updated_at":"2021-11-28T01:34:31.051000Z","spacegroup":88},{"id":"mp-695243","created_at":"2022-09-04T14:39:29.897436Z","structure_string":"Na4 Sr2 La4 Ti10 O30\n1.0\n2.765280 19.732726 0.000000\n-2.765280 19.732726 0.000000\n0.000000 0.755279 5.471905\nNa Sr La Ti O\n4 2 4 10 30\ndirect\n0.748799 0.051595 0.598708 Na\n0.152586 0.447469 0.198540 Na\n0.552531 0.847414 0.801460 Na\n0.948405 0.251201 0.401292 Na\n0.350091 0.649909 0.000000 Sr\n0.851679 0.148321 0.500000 Sr\n0.054225 0.346706 0.307861 La\n0.449457 0.752154 0.903477 La\n0.247846 0.550543 0.096523 La\n0.653294 0.945775 0.692139 La\n0.003766 0.298357 0.854619 Ti\n0.399488 0.702899 0.452011 Ti\n0.799377 0.099663 0.049500 Ti\n0.202774 0.497756 0.646701 Ti\n0.605417 0.895903 0.253828 Ti\n0.701643 0.996234 0.145381 Ti\n0.104097 0.394583 0.746172 Ti\n0.502244 0.797226 0.353299 Ti\n0.900337 0.200623 0.950500 Ti\n0.297101 0.600512 0.547989 Ti\n0.036738 0.869551 0.785693 O\n0.385388 0.614612 0.500000 O\n0.423021 0.286842 0.369572 O\n0.073130 0.830656 0.279323 O\n0.797456 0.000544 0.101604 O\n0.312874 0.175748 0.037231 O\n0.824252 0.687126 0.962769 O\n0.473495 0.233116 0.876792 O\n0.005394 0.394706 0.794133 O\n0.202046 0.397193 0.701996 O\n0.713158 0.576979 0.630428 O\n0.367463 0.123614 0.530566 O\n0.226433 0.083560 0.566107 O\n0.876386 0.632537 0.469434 O\n0.406544 0.794013 0.393520 O\n0.602807 0.797954 0.298004 O\n0.130449 0.963262 0.214307 O\n0.766884 0.526505 0.123208 O\n0.629801 0.479735 0.168323 O\n0.276324 0.033349 0.071343 O\n0.817897 0.182103 0.000000 O\n0.999456 0.202544 0.898396 O\n0.520265 0.370199 0.831677 O\n0.169344 0.926870 0.720677 O\n0.666234 0.443006 0.681628 O\n0.205987 0.593456 0.606480 O\n0.916440 0.773567 0.433893 O\n0.556994 0.333766 0.318372 O\n0.605294 0.994606 0.205867 O\n0.966651 0.723676 0.928657 O\n","nsites":50,"nelements":5,"elements":["Na","Sr","La","Ti","O"],"chemical_system":"La-Na-O-Sr-Ti","density":4.953744338506877,"density_atomic":0.08372887611518585,"volume":597.1655457457111,"volume_molar":7.192429947005784,"formula_full":"Na4 Sr2 La4 Ti10 O30","formula_reduced":"Na2SrLa2Ti5O15","formula_anonymous":"AB2C2D5E15","energy":-428.41853563,"energy_per_atom":-8.5683707126,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-407.80853563,"band_gap":1.8584000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0029358,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.271000Z","spacegroup":5},{"id":"mp-677126","created_at":"2022-09-04T14:39:26.467487Z","structure_string":"Ca10 Yb5 F35\n1.0\n7.875667 -0.185033 -4.089394\n-1.879536 7.688428 -4.096294\n0.238737 0.288335 10.212817\nCa Yb F\n10 5 35\ndirect\n0.020603 0.473614 0.683020 Ca\n0.209665 0.020172 0.685049 Ca\n0.471561 0.662584 0.681184 Ca\n0.338147 0.788431 0.317854 Ca\n0.663322 0.209345 0.682120 Ca\n0.528660 0.340242 0.317666 Ca\n0.498826 0.498372 0.999793 Ca\n0.790483 0.981617 0.316264 Ca\n0.687279 0.099375 0.999242 Ca\n0.979187 0.526210 0.317076 Ca\n0.189153 0.189053 0.379186 Yb\n0.102416 0.317693 0.001310 Yb\n0.310885 0.900712 0.000557 Yb\n0.812064 0.810769 0.620929 Yb\n0.898040 0.683593 0.998906 Yb\n0.085378 0.787323 0.739929 F\n0.066034 0.170793 0.537253 F\n0.213285 0.347952 0.842191 F\n0.173634 0.469534 0.538956 F\n0.043006 0.916032 0.255154 F\n0.347750 0.630258 0.844506 F\n0.008990 0.996202 0.001073 F\n0.084615 0.585752 0.169256 F\n0.251427 0.747491 0.499361 F\n0.414406 0.913744 0.830772 F\n0.218748 0.342113 0.261009 F\n0.362210 0.065540 0.536288 F\n0.491954 0.215377 0.836754 F\n0.147065 0.707491 0.996115 F\n0.341729 0.038366 0.262280 F\n0.469668 0.364506 0.540339 F\n0.629118 0.497031 0.843627 F\n0.287396 0.147718 0.996999 F\n0.370306 0.503494 0.156179 F\n0.531828 0.636144 0.461801 F\n0.655544 0.958212 0.734102 F\n0.501732 0.783584 0.156388 F\n0.637880 0.931875 0.458293 F\n0.783023 0.659237 0.741123 F\n0.579303 0.083412 0.170288 F\n0.748763 0.253114 0.500648 F\n0.916124 0.415599 0.830962 F\n0.650595 0.373965 0.159598 F\n0.955026 0.084166 0.742689 F\n0.832720 0.533909 0.467058 F\n0.785451 0.652010 0.156755 F\n0.710738 0.849018 0.003200 F\n0.933329 0.827012 0.460556 F\n0.916676 0.215485 0.264555 F\n0.854257 0.294758 0.003791 F\n","nsites":50,"nelements":3,"elements":["Ca","Yb","F"],"chemical_system":"Ca-F-Yb","density":5.05693609524863,"density_atomic":0.07885752941086098,"volume":634.0548629096861,"volume_molar":7.636735268009265,"formula_full":"Ca10 Yb5 F35","formula_reduced":"Ca2YbF7","formula_anonymous":"AB2C7","energy":-287.93349083000004,"energy_per_atom":-5.758669816600001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-271.76349083,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.1221906,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.505000Z","spacegroup":1},{"id":"mp-758645","created_at":"2022-09-04T14:39:26.546488Z","structure_string":"Li9 Co13 O28\n1.0\n7.441192 0.000000 0.000000\n-2.118062 7.812526 0.000000\n-2.122350 -2.350497 7.928119\nLi Co O\n9 13 28\ndirect\n0.925218 0.273399 0.208092 Li\n0.584661 0.202466 0.293403 Li\n0.207351 0.135626 0.351500 Li\n0.288076 0.354459 0.131615 Li\n0.701352 0.649864 0.864033 Li\n0.000142 0.499309 0.996314 Li\n0.769622 0.871047 0.642760 Li\n0.086764 0.719846 0.792865 Li\n0.161445 0.933009 0.570943 Li\n0.716986 0.139730 0.860083 Co\n0.355106 0.073885 0.932921 Co\n0.070933 0.213606 0.790285 Co\n0.782660 0.350182 0.639100 Co\n0.432153 0.291978 0.719927 Co\n0.143605 0.429099 0.572415 Co\n0.499595 0.500515 0.499909 Co\n0.855601 0.568771 0.426086 Co\n0.569721 0.711377 0.281273 Co\n0.217595 0.649514 0.362044 Co\n0.927201 0.790420 0.211069 Co\n0.641521 0.923975 0.065177 Co\n0.280654 0.859641 0.141051 Co\n0.904122 0.002644 0.202399 O\n0.798735 0.124985 0.666665 O\n0.442456 0.067995 0.743419 O\n0.989023 0.247559 0.975217 O\n0.300958 0.090283 0.135696 O\n0.631367 0.154311 0.057010 O\n0.705520 0.372230 0.834855 O\n0.344457 0.301103 0.911898 O\n0.505366 0.271643 0.520308 O\n0.867166 0.344126 0.440739 O\n0.162178 0.202762 0.595922 O\n0.053235 0.437671 0.763759 O\n0.418926 0.511727 0.694837 O\n0.777239 0.586992 0.623516 O\n0.223870 0.413177 0.372827 O\n0.581120 0.484102 0.303816 O\n0.945653 0.560617 0.238050 O\n0.842703 0.793322 0.407287 O\n0.122538 0.657553 0.553197 O\n0.494461 0.727790 0.474578 O\n0.655595 0.699478 0.088602 O\n0.296045 0.631227 0.166316 O\n0.362417 0.845269 0.948174 O\n0.706616 0.917945 0.870044 O\n0.017226 0.753044 0.025821 O\n0.552754 0.932867 0.256988 O\n0.198662 0.878437 0.340202 O\n0.098699 0.991863 0.791955 O\n","nsites":50,"nelements":3,"elements":["Li","Co","O"],"chemical_system":"Co-Li-O","density":4.599326682012672,"density_atomic":0.10848404194134524,"volume":460.8972813442351,"volume_molar":5.551176608312612,"formula_full":"Li9 Co13 O28","formula_reduced":"Li9Co13O28","formula_anonymous":"A9B13C28","energy":-324.04876864000005,"energy_per_atom":-6.480975372800001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-283.51876864,"band_gap":0.0484,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0002038,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.130000Z","spacegroup":1},{"id":"mp-703275","created_at":"2022-09-04T14:39:26.554170Z","structure_string":"Na2 Sr6 Nd2 Ti10 O30\n1.0\n-2.757624 2.757624 19.780135\n2.757624 -2.757624 19.780135\n2.757624 2.757624 -19.780135\nNa Sr Nd Ti O\n2 6 2 10 30\ndirect\n0.799366 0.799366 0.000000 Na\n0.200634 0.200634 0.000000 Na\n0.100789 0.100789 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.600638 0.600638 0.000000 Sr\n0.899211 0.899211 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.399362 0.399362 0.000000 Sr\n0.299424 0.299424 0.000000 Nd\n0.700576 0.700576 0.000000 Nd\n0.750000 0.250000 0.500000 Ti\n0.250000 0.750000 0.500000 Ti\n0.550428 0.050428 0.500000 Ti\n0.651398 0.151398 0.500000 Ti\n0.949572 0.449572 0.500000 Ti\n0.050428 0.550428 0.500000 Ti\n0.151398 0.651398 0.500000 Ti\n0.348602 0.848602 0.500000 Ti\n0.449572 0.949572 0.500000 Ti\n0.848602 0.348602 0.500000 Ti\n0.799356 0.299356 0.500000 O\n0.050242 0.453419 0.000000 O\n0.546581 0.546581 0.596823 O\n0.200644 0.700644 0.500000 O\n0.299356 0.799356 0.500000 O\n0.442463 0.862372 0.000000 O\n0.949758 0.949758 0.403177 O\n0.929305 0.929305 0.557106 O\n0.453419 0.050242 0.000000 O\n0.600827 0.100827 0.500000 O\n0.700644 0.200644 0.500000 O\n0.823781 0.277530 0.000000 O\n0.372199 0.372199 0.442894 O\n0.323685 0.323685 0.546800 O\n0.862372 0.442463 0.000000 O\n0.000000 0.500000 0.500000 O\n0.100827 0.600827 0.500000 O\n0.223115 0.676315 0.000000 O\n0.776885 0.776885 0.453200 O\n0.722470 0.722470 0.546251 O\n0.277530 0.823781 0.000000 O\n0.399173 0.899173 0.500000 O\n0.500000 0.000000 0.500000 O\n0.627801 0.070695 0.000000 O\n0.176219 0.176219 0.453749 O\n0.137628 0.137628 0.580091 O\n0.676315 0.223115 0.000000 O\n0.899173 0.399173 0.500000 O\n0.557537 0.557537 0.419909 O\n0.070695 0.627801 0.000000 O\n","nsites":50,"nelements":5,"elements":["Na","Sr","Nd","Ti","O"],"chemical_system":"Na-Nd-O-Sr-Ti","density":5.019762685190099,"density_atomic":0.08310184412382447,"volume":601.6713651444168,"volume_molar":7.246699304322071,"formula_full":"Na2 Sr6 Nd2 Ti10 O30","formula_reduced":"NaSr3NdTi5O15","formula_anonymous":"ABC3D5E15","energy":-423.99393169,"energy_per_atom":-8.4798786338,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-403.38393169,"band_gap":1.9141,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0542583,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.463000Z","spacegroup":121},{"id":"mp-706277","created_at":"2022-09-04T14:45:16.058578Z","structure_string":"Li20 Si2 P4 Se24\n1.0\n9.263515 0.000000 0.000000\n0.000000 9.263515 0.000000\n0.000000 0.000000 13.309696\nLi Si P Se\n20 2 4 24\ndirect\n0.232138 0.273945 0.295321 Li\n0.767862 0.726055 0.295321 Li\n0.273945 0.767862 0.795321 Li\n0.726055 0.232138 0.795321 Li\n0.232138 0.726055 0.295321 Li\n0.767862 0.273945 0.295321 Li\n0.273945 0.232138 0.795321 Li\n0.726055 0.767862 0.795321 Li\n0.000000 0.000000 0.941502 Li\n0.000000 0.000000 0.441502 Li\n0.500000 0.500000 0.546514 Li\n0.500000 0.500000 0.046514 Li\n0.259718 0.727320 0.034699 Li\n0.740282 0.272680 0.034699 Li\n0.272680 0.259718 0.534699 Li\n0.727320 0.740282 0.534699 Li\n0.272680 0.740282 0.534699 Li\n0.727320 0.259718 0.534699 Li\n0.259718 0.272680 0.034699 Li\n0.740282 0.727320 0.034699 Li\n0.500000 0.500000 0.801197 Si\n0.500000 0.500000 0.301197 Si\n0.000000 0.000000 0.685685 P\n0.000000 0.000000 0.185685 P\n0.000000 0.500000 0.504125 P\n0.500000 0.000000 0.004125 P\n0.000000 0.699731 0.409098 Se\n0.000000 0.300269 0.409098 Se\n0.300269 0.000000 0.909098 Se\n0.699731 0.000000 0.909098 Se\n0.500000 0.194051 0.101864 Se\n0.500000 0.805949 0.101864 Se\n0.194051 0.500000 0.601864 Se\n0.805949 0.500000 0.601864 Se\n0.000000 0.797324 0.092996 Se\n0.000000 0.202676 0.092996 Se\n0.202676 0.000000 0.592996 Se\n0.797324 0.000000 0.592996 Se\n0.500000 0.293302 0.399828 Se\n0.500000 0.706698 0.399828 Se\n0.293302 0.500000 0.899828 Se\n0.706698 0.500000 0.899828 Se\n0.000000 0.197713 0.779383 Se\n0.000000 0.802287 0.779383 Se\n0.802287 0.000000 0.279383 Se\n0.197713 0.000000 0.279383 Se\n0.500000 0.702173 0.700883 Se\n0.500000 0.297827 0.700883 Se\n0.702173 0.500000 0.200883 Se\n0.297827 0.500000 0.200883 Se\n","nsites":50,"nelements":4,"elements":["Li","Si","P","Se"],"chemical_system":"Li-P-Se-Si","density":3.2187885903242175,"density_atomic":0.04377742877144447,"volume":1142.1410851021576,"volume_molar":13.756268764528665,"formula_full":"Li20 Si2 P4 Se24","formula_reduced":"Li10Si(PSe6)2","formula_anonymous":"AB2C10D12","energy":-208.00074842000004,"energy_per_atom":-4.1600149684000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-196.67274842,"band_gap":1.3277,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:54.116000Z","spacegroup":105}]}