{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=12161","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=12159","results":[{"id":"mp-14423","created_at":"2022-09-04T14:42:17.978730Z","structure_string":"Ca8 Ga16 S32\n1.0\n0.000000 10.138557 10.193524\n6.114587 0.000000 10.193524\n6.114587 10.138557 0.000000\nCa Ga S\n8 16 32\ndirect\n0.500000 0.500000 0.500000 Ca\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Ca\n0.247812 0.247812 0.752188 Ca\n0.752188 0.752188 0.247812 Ca\n0.002188 0.002188 0.497812 Ca\n0.497812 0.497812 0.002188 Ca\n0.592552 0.156949 0.265890 Ga\n0.984609 0.265890 0.156949 Ga\n0.265890 0.984609 0.592552 Ga\n0.156949 0.592552 0.984609 Ga\n0.657448 0.093051 0.984110 Ga\n0.265391 0.984110 0.093051 Ga\n0.984110 0.265391 0.657448 Ga\n0.093051 0.657448 0.265391 Ga\n0.737835 0.013461 0.487998 Ga\n0.760706 0.487998 0.013461 Ga\n0.487998 0.760706 0.737835 Ga\n0.013461 0.737835 0.760706 Ga\n0.512165 0.236539 0.762002 Ga\n0.489294 0.762002 0.236539 Ga\n0.762002 0.489294 0.512165 Ga\n0.236539 0.512165 0.489294 Ga\n0.308561 0.438765 0.778076 S\n0.474598 0.778076 0.438765 S\n0.778076 0.474598 0.308561 S\n0.438765 0.308561 0.474598 S\n0.941439 0.811235 0.471924 S\n0.775402 0.471924 0.811235 S\n0.471924 0.775402 0.941439 S\n0.811235 0.941439 0.775402 S\n0.970193 0.782307 0.968179 S\n0.279322 0.968179 0.782307 S\n0.968179 0.279322 0.970193 S\n0.782307 0.970193 0.279322 S\n0.279807 0.467693 0.281821 S\n0.970678 0.281821 0.467693 S\n0.281821 0.970678 0.279807 S\n0.467693 0.279807 0.970678 S\n0.211868 0.209136 0.037792 S\n0.541205 0.037792 0.209136 S\n0.037792 0.541205 0.211868 S\n0.209136 0.211868 0.541205 S\n0.038132 0.040864 0.212208 S\n0.708795 0.212208 0.040864 S\n0.212208 0.708795 0.038132 S\n0.040864 0.038132 0.708795 S\n0.541555 0.538440 0.708568 S\n0.211437 0.708568 0.538440 S\n0.708568 0.211437 0.541555 S\n0.538440 0.541555 0.211437 S\n0.708445 0.711560 0.541432 S\n0.038563 0.541432 0.711560 S\n0.541432 0.038563 0.708445 S\n0.711560 0.708445 0.038563 S\n","nsites":56,"nelements":3,"elements":["Ca","Ga","S"],"chemical_system":"Ca-Ga-S","density":3.235098458480485,"density_atomic":0.04430884258867515,"volume":1263.8560776650252,"volume_molar":13.59128428585763,"formula_full":"Ca8 Ga16 S32","formula_reduced":"Ca(GaS2)2","formula_anonymous":"AB2C4","energy":-275.54663303,"energy_per_atom":-4.920475589821429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-259.45063303,"band_gap":2.8466000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001664,"is_theoretical":false,"updated_at":"2021-11-28T01:35:42.651000Z","spacegroup":70},{"id":"mp-1094484","created_at":"2022-09-04T14:42:17.999016Z","structure_string":"Mg1 Zn5\n1.0\n1.444109 -7.330006 0.000000\n1.444109 7.330006 0.000000\n0.000000 0.000000 4.568673\nMg Zn\n1 5\ndirect\n0.777656 0.222344 0.500000 Mg\n0.000547 0.999453 0.000000 Zn\n0.337695 0.662305 0.000000 Zn\n0.663594 0.336406 0.000000 Zn\n0.106155 0.893845 0.500000 Zn\n0.447685 0.552315 0.500000 Zn\n","nsites":6,"nelements":2,"elements":["Mg","Zn"],"chemical_system":"Mg-Zn","density":6.032046490933879,"density_atomic":0.06203358426381894,"volume":96.7218011211952,"volume_molar":9.707871681876053,"formula_full":"Mg1 Zn5","formula_reduced":"MgZn5","formula_anonymous":"AB5","energy":-8.06834569,"energy_per_atom":-1.3447242816666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.06834569,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001475,"is_theoretical":true,"updated_at":"2021-11-28T01:35:43.769000Z","spacegroup":38},{"id":"mp-1022813","created_at":"2022-09-04T14:42:18.258302Z","structure_string":"Li2 Y2 Mg12\n1.0\n5.133955 0.000000 0.000000\n0.000000 6.582845 0.000000\n0.000000 0.000000 11.427559\nLi Y Mg\n2 2 12\ndirect\n0.500000 0.500000 0.163023 Li\n0.500000 0.000000 0.663023 Li\n0.500000 0.000000 0.166090 Y\n0.500000 0.500000 0.666090 Y\n0.500000 0.242322 0.419852 Mg\n0.500000 0.757678 0.419852 Mg\n0.000000 0.742125 0.081793 Mg\n0.000000 0.257875 0.081793 Mg\n0.000000 0.000000 0.336047 Mg\n0.000000 0.500000 0.331546 Mg\n0.500000 0.742322 0.919852 Mg\n0.500000 0.257678 0.919852 Mg\n0.000000 0.242125 0.581793 Mg\n0.000000 0.757875 0.581793 Mg\n0.000000 0.500000 0.836047 Mg\n0.000000 0.000000 0.831546 Mg\n","nsites":16,"nelements":3,"elements":["Li","Y","Mg"],"chemical_system":"Li-Mg-Y","density":2.078236584329438,"density_atomic":0.041428653998886705,"volume":386.20612681333944,"volume_molar":14.536172862777127,"formula_full":"Li2 Y2 Mg12","formula_reduced":"LiYMg6","formula_anonymous":"ABC6","energy":-35.72794518,"energy_per_atom":-2.23299657375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.72794518,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0038751,"is_theoretical":true,"updated_at":"2021-11-28T01:35:43.166000Z","spacegroup":38},{"id":"mp-1189538","created_at":"2022-09-04T14:42:18.012696Z","structure_string":"Lu2 Co8 B8\n1.0\n4.978483 0.000000 0.000000\n0.000000 4.978483 0.000000\n0.000000 0.000000 6.921442\nLu Co B\n2 8 8\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Lu\n0.253328 0.500000 0.861533 Co\n0.746672 0.500000 0.861533 Co\n0.000000 0.753328 0.361533 Co\n0.000000 0.246672 0.361533 Co\n0.246672 0.000000 0.638467 Co\n0.753328 0.000000 0.638467 Co\n0.500000 0.746672 0.138467 Co\n0.500000 0.253328 0.138467 Co\n0.825020 0.500000 0.157070 B\n0.174980 0.500000 0.157070 B\n0.000000 0.325020 0.657070 B\n0.000000 0.674980 0.657070 B\n0.674980 0.000000 0.342930 B\n0.325020 0.000000 0.342930 B\n0.500000 0.174980 0.842930 B\n0.500000 0.825020 0.842930 B\n","nsites":18,"nelements":3,"elements":["Lu","Co","B"],"chemical_system":"B-Co-Lu","density":8.788009584563952,"density_atomic":0.10492569732552773,"volume":171.54996782299887,"volume_molar":5.739433631130944,"formula_full":"Lu2 Co8 B8","formula_reduced":"Lu(CoB)4","formula_anonymous":"AB4C4","energy":-128.83562461,"energy_per_atom":-7.157534700555555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-128.83562461,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2554085,"is_theoretical":false,"updated_at":"2021-11-28T01:35:43.751000Z","spacegroup":137},{"id":"mp-1217780","created_at":"2022-09-04T14:42:18.024844Z","structure_string":"Ta4 Co6 Ge2\n1.0\n2.445869 -4.236369 0.000000\n2.445869 4.236369 0.000000\n0.000000 0.000000 7.654753\nTa Co Ge\n4 6 2\ndirect\n0.333333 0.666667 0.940006 Ta\n0.666667 0.333333 0.059994 Ta\n0.666667 0.333333 0.440006 Ta\n0.333333 0.666667 0.559994 Ta\n0.828167 0.171833 0.750000 Co\n0.828167 0.656335 0.750000 Co\n0.343665 0.171833 0.750000 Co\n0.171833 0.828167 0.250000 Co\n0.171833 0.343665 0.250000 Co\n0.656335 0.828167 0.250000 Co\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n","nsites":12,"nelements":3,"elements":["Ta","Co","Ge"],"chemical_system":"Co-Ge-Ta","density":12.798835213064814,"density_atomic":0.07564724128007701,"volume":158.63103263172673,"volume_molar":7.960820061770097,"formula_full":"Ta4 Co6 Ge2","formula_reduced":"Ta2Co3Ge","formula_anonymous":"AB2C3","energy":-103.38120574,"energy_per_atom":-8.615100478333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-103.38120574,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.3388342,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.863000Z","spacegroup":194},{"id":"mp-16800","created_at":"2022-09-04T14:42:18.031344Z","structure_string":"Sc4 S6 O24\n1.0\n8.035485 -4.425870 0.000000\n8.035485 4.425870 0.000000\n5.597757 0.000000 7.267905\nSc S O\n4 6 24\ndirect\n0.144143 0.144143 0.144143 Sc\n0.855857 0.855857 0.855857 Sc\n0.355857 0.355857 0.355857 Sc\n0.644143 0.644143 0.644143 Sc\n0.036454 0.463546 0.750000 S\n0.463546 0.750000 0.036454 S\n0.750000 0.036454 0.463546 S\n0.963546 0.536454 0.250000 S\n0.250000 0.963546 0.536454 S\n0.536454 0.250000 0.963546 S\n0.227570 0.991388 0.374075 O\n0.374075 0.227570 0.991388 O\n0.991388 0.374075 0.227570 O\n0.772430 0.008612 0.625925 O\n0.625925 0.772430 0.008612 O\n0.008612 0.625925 0.772430 O\n0.272430 0.125925 0.508612 O\n0.508612 0.272430 0.125925 O\n0.125925 0.508612 0.272430 O\n0.727570 0.874075 0.491388 O\n0.063868 0.298032 0.914042 O\n0.298032 0.914042 0.063868 O\n0.914042 0.063868 0.298032 O\n0.936132 0.701968 0.085958 O\n0.701968 0.085958 0.936132 O\n0.085958 0.936132 0.701968 O\n0.201968 0.436132 0.585958 O\n0.436132 0.585958 0.201968 O\n0.585958 0.201968 0.436132 O\n0.798032 0.563868 0.414042 O\n0.563868 0.414042 0.798032 O\n0.414042 0.798032 0.563868 O\n0.874075 0.491388 0.727570 O\n0.491388 0.727570 0.874075 O\n","nsites":34,"nelements":3,"elements":["Sc","S","O"],"chemical_system":"O-S-Sc","density":2.4290438388734374,"density_atomic":0.06577016499607774,"volume":516.9517212253857,"volume_molar":9.156341268657506,"formula_full":"Sc4 S6 O24","formula_reduced":"Sc2(SO4)3","formula_anonymous":"A2B3C12","energy":-256.60859727,"energy_per_atom":-7.547311684411765,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-240.12059727,"band_gap":4.3243,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002632,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.257000Z","spacegroup":167},{"id":"mp-1200508","created_at":"2022-09-04T14:42:18.031894Z","structure_string":"Rb2 P2 H12 C4 N8 O8\n1.0\n0.000000 -5.338267 -5.824048\n0.000000 -5.338267 5.824048\n-6.472439 5.338267 0.000000\nRb P H C N O\n2 2 12 4 8 8\ndirect\n0.263376 0.736624 0.500000 Rb\n0.013376 0.986624 0.000000 Rb\n0.586299 0.413701 0.500000 P\n0.336299 0.663701 0.000000 P\n0.093639 0.111656 0.473784 H\n0.888344 0.906361 0.526216 H\n0.869855 0.387872 0.026216 H\n0.612128 0.130145 0.973784 H\n0.174161 0.371522 0.600956 H\n0.628478 0.825839 0.399044 H\n0.823205 0.520566 0.899044 H\n0.479434 0.176795 0.100956 H\n0.311895 0.418584 0.086385 H\n0.581416 0.688105 0.913615 H\n0.475510 0.082199 0.413615 H\n0.917801 0.524490 0.586385 H\n0.203057 0.248828 0.779709 C\n0.751172 0.796943 0.220291 C\n0.673348 0.219119 0.720291 C\n0.780881 0.326652 0.279709 C\n0.176625 0.246289 0.608446 N\n0.753711 0.823375 0.391554 N\n0.818179 0.387843 0.891554 N\n0.612157 0.181821 0.108446 N\n0.279144 0.429763 0.959007 N\n0.570237 0.720856 0.040993 N\n0.570138 0.220756 0.540993 N\n0.779244 0.429862 0.459007 N\n0.162508 0.088395 0.777027 O\n0.911605 0.837492 0.222973 O\n0.635480 0.061367 0.722973 O\n0.938633 0.364520 0.277027 O\n0.651204 0.606343 0.696208 O\n0.393657 0.348796 0.303792 O\n0.204996 0.660136 0.803792 O\n0.339864 0.795004 0.196208 O\n","nsites":36,"nelements":6,"elements":["Rb","P","H","C","N","O"],"chemical_system":"C-H-N-O-P-Rb","density":2.1994299957259194,"density_atomic":0.08944978511711173,"volume":402.4604413847072,"volume_molar":6.732426189862322,"formula_full":"Rb2 P2 H12 C4 N8 O8","formula_reduced":"RbPH6C2(NO)4","formula_anonymous":"ABC2D4E4F6","energy":-237.65570338,"energy_per_atom":-6.601547316111112,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-229.27170338,"band_gap":5.299799999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005836,"is_theoretical":false,"updated_at":"2021-11-28T01:35:42.845000Z","spacegroup":43},{"id":"mp-1030465","created_at":"2022-09-04T14:42:18.041897Z","structure_string":"Mo1 W3 Se6 S2\n1.0\n1.643313 -2.846302 0.000000\n1.643313 2.846302 0.000000\n0.000000 0.000000 37.397010\nMo W Se S\n1 3 6 2\ndirect\n0.000000 0.000000 0.093911 Mo\n0.000000 0.000000 0.469670 W\n0.333333 0.666667 0.281801 W\n0.333333 0.666667 0.657537 W\n0.000000 0.000000 0.327146 Se\n0.333333 0.666667 0.048828 Se\n0.333333 0.666667 0.424313 Se\n0.333333 0.666667 0.139002 Se\n0.333333 0.666667 0.515020 Se\n0.000000 0.000000 0.236449 Se\n0.000000 0.000000 0.698744 S\n0.000000 0.000000 0.616328 S\n","nsites":12,"nelements":4,"elements":["Mo","W","Se","S"],"chemical_system":"Mo-S-Se-W","density":5.626360513715517,"density_atomic":0.034301499126985185,"volume":349.8389372305752,"volume_molar":17.556494361094405,"formula_full":"Mo1 W3 Se6 S2","formula_reduced":"MoW3(Se3S)2","formula_anonymous":"AB2C3D6","energy":-90.48973649,"energy_per_atom":-7.540811374166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.65173649,"band_gap":0.6274,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0005419,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.677000Z","spacegroup":156},{"id":"mp-1104779","created_at":"2022-09-04T14:42:18.052090Z","structure_string":"Mg1 Ni6 Ge6\n1.0\n-2.549808 -4.416398 0.000000\n-2.551251 4.417231 0.000000\n0.000000 0.000000 -7.839015\nMg Ni Ge\n1 6 6\ndirect\n0.999998 0.000000 0.000000 Mg\n0.499997 0.000000 0.249146 Ni\n0.500001 0.500006 0.249160 Ni\n0.999994 0.499994 0.249160 Ni\n0.499997 0.000000 0.750854 Ni\n0.500001 0.500006 0.750840 Ni\n0.999994 0.499994 0.750840 Ni\n0.333295 0.666678 0.000000 Ge\n0.666617 0.333322 0.000000 Ge\n0.333286 0.666645 0.500000 Ge\n0.666641 0.333355 0.500000 Ge\n0.999990 0.000000 0.339460 Ge\n0.999990 0.000000 0.660540 Ge\n","nsites":13,"nelements":3,"elements":["Mg","Ni","Ge"],"chemical_system":"Ge-Mg-Ni","density":7.637257740211323,"density_atomic":0.07360585500502648,"volume":176.61638464918641,"volume_molar":8.181605606766954,"formula_full":"Mg1 Ni6 Ge6","formula_reduced":"Mg(NiGe)6","formula_anonymous":"AB6C6","energy":-67.45952756,"energy_per_atom":-5.189194427692308,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-67.45952756,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001113,"is_theoretical":false,"updated_at":"2021-11-28T01:35:45.985000Z","spacegroup":191},{"id":"mp-556335","created_at":"2022-09-04T14:42:18.075373Z","structure_string":"Y4 P20 O56\n1.0\n6.471357 6.524888 0.000000\n-6.471357 6.524888 0.000000\n0.000000 0.335736 12.618327\nY P O\n4 20 56\ndirect\n0.032130 0.967870 0.250000 Y\n0.521238 0.478762 0.750000 Y\n0.967870 0.032130 0.750000 Y\n0.478762 0.521238 0.250000 Y\n0.681638 0.954480 0.390401 P\n0.570674 0.072615 0.758564 P\n0.321296 0.386650 0.000323 P\n0.873026 0.174966 0.466456 P\n0.126974 0.825034 0.533544 P\n0.613350 0.678704 0.499677 P\n0.954480 0.681638 0.890401 P\n0.927385 0.429326 0.741436 P\n0.429326 0.927385 0.241436 P\n0.825034 0.126974 0.033544 P\n0.318362 0.045520 0.609599 P\n0.519840 0.183657 0.104747 P\n0.480160 0.816343 0.895253 P\n0.183657 0.519840 0.604747 P\n0.816343 0.480160 0.395253 P\n0.678704 0.613350 0.999677 P\n0.174966 0.873026 0.966456 P\n0.386650 0.321296 0.500323 P\n0.045520 0.318362 0.109599 P\n0.072615 0.570674 0.258564 P\n0.539487 0.227405 0.782097 O\n0.174962 0.654217 0.524629 O\n0.979583 0.280287 0.769021 O\n0.035673 0.845319 0.631390 O\n0.460513 0.772595 0.217903 O\n0.641023 0.512076 0.913532 O\n0.531252 0.985903 0.336313 O\n0.980394 0.505995 0.361577 O\n0.719713 0.020417 0.730979 O\n0.421054 0.349807 0.386955 O\n0.920902 0.128733 0.573304 O\n0.358977 0.487924 0.086468 O\n0.650193 0.578946 0.113045 O\n0.710602 0.105365 0.444294 O\n0.019606 0.494005 0.638423 O\n0.654217 0.174962 0.024630 O\n0.772595 0.460513 0.717903 O\n0.578946 0.650193 0.613045 O\n0.201287 0.102261 0.679305 O\n0.494005 0.019606 0.138423 O\n0.897739 0.798713 0.820695 O\n0.289398 0.894635 0.555706 O\n0.468748 0.014097 0.663687 O\n0.538192 0.283326 0.193540 O\n0.227405 0.539487 0.282097 O\n0.894635 0.289398 0.055706 O\n0.280287 0.979583 0.269021 O\n0.283326 0.538192 0.693540 O\n0.102261 0.201287 0.179305 O\n0.105365 0.710602 0.944294 O\n0.345783 0.825038 0.975371 O\n0.512076 0.641023 0.413532 O\n0.147632 0.351166 0.009435 O\n0.716674 0.461808 0.306460 O\n0.128733 0.920902 0.073304 O\n0.223027 0.389710 0.528678 O\n0.852368 0.648834 0.990565 O\n0.505995 0.980394 0.861577 O\n0.825038 0.345783 0.475371 O\n0.648834 0.852368 0.490565 O\n0.461808 0.716674 0.806460 O\n0.020417 0.719713 0.230979 O\n0.389710 0.223027 0.028678 O\n0.487924 0.358977 0.586468 O\n0.014097 0.468748 0.163687 O\n0.079098 0.871267 0.426696 O\n0.349807 0.421054 0.886955 O\n0.798713 0.897739 0.320695 O\n0.610290 0.776973 0.971322 O\n0.154681 0.964327 0.868610 O\n0.776973 0.610290 0.471322 O\n0.845319 0.035673 0.131390 O\n0.871267 0.079098 0.926696 O\n0.964327 0.154681 0.368610 O\n0.985903 0.531252 0.836313 O\n0.351166 0.147632 0.509435 O\n","nsites":80,"nelements":3,"elements":["Y","P","O"],"chemical_system":"O-P-Y","density":2.9156661039876095,"density_atomic":0.0750740410111753,"volume":1065.614677490072,"volume_molar":8.021601979709022,"formula_full":"Y4 P20 O56","formula_reduced":"YP5O14","formula_anonymous":"AB5C14","energy":-637.3522758299999,"energy_per_atom":-7.966903447875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-598.88027583,"band_gap":5.2522,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016141,"is_theoretical":false,"updated_at":"2021-11-28T01:35:44.581000Z","spacegroup":15},{"id":"mp-801028","created_at":"2022-09-04T14:42:18.075641Z","structure_string":"Ba8 Sb4 O18\n1.0\n3.052041 -5.286290 0.000000\n3.052041 5.286290 0.000000\n0.000000 0.000000 17.062380\nBa Sb O\n8 4 18\ndirect\n0.666667 0.333333 0.871555 Ba\n0.333333 0.666667 0.128445 Ba\n0.333333 0.666667 0.371555 Ba\n0.666667 0.333333 0.628445 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.250000 Ba\n0.333333 0.666667 0.663036 Sb\n0.666667 0.333333 0.336964 Sb\n0.666667 0.333333 0.163036 Sb\n0.333333 0.666667 0.836964 Sb\n0.171143 0.342286 0.889845 O\n0.828857 0.657714 0.110155 O\n0.657714 0.828857 0.889845 O\n0.342286 0.171143 0.110155 O\n0.171143 0.828857 0.889845 O\n0.828857 0.171143 0.110155 O\n0.828857 0.657714 0.389845 O\n0.171143 0.342286 0.610155 O\n0.342286 0.171143 0.389845 O\n0.657714 0.828857 0.610155 O\n0.828857 0.171143 0.389845 O\n0.171143 0.828857 0.610155 O\n0.519693 0.039385 0.250000 O\n0.480307 0.960615 0.750000 O\n0.960615 0.480307 0.250000 O\n0.039385 0.519693 0.750000 O\n0.519693 0.480307 0.250000 O\n0.480307 0.519693 0.750000 O\n","nsites":30,"nelements":3,"elements":["Ba","Sb","O"],"chemical_system":"Ba-O-Sb","density":5.651002491619871,"density_atomic":0.05448918362677099,"volume":550.5679843817801,"volume_molar":11.051992999655203,"formula_full":"Ba8 Sb4 O18","formula_reduced":"Ba4Sb2O9","formula_anonymous":"A2B4C9","energy":-200.40971136,"energy_per_atom":-6.680323712,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-188.04371136,"band_gap":2.8294,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0049895,"is_theoretical":true,"updated_at":"2021-11-28T01:35:43.658000Z","spacegroup":194},{"id":"mp-1218272","created_at":"2022-09-04T14:42:18.169324Z","structure_string":"Sr1 Ga1 Ge1\n1.0\n2.171194 -3.760619 0.000000\n2.171194 3.760619 0.000000\n0.000000 0.000000 4.707621\nSr Ga Ge\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Sr\n0.666667 0.333333 0.500000 Ga\n0.000000 0.000000 0.500000 Ge\n","nsites":3,"nelements":3,"elements":["Sr","Ga","Ge"],"chemical_system":"Ga-Ge-Sr","density":4.967700207554004,"density_atomic":0.03902400166148344,"volume":76.87576548462968,"volume_molar":15.431889359372985,"formula_full":"Sr1 Ga1 Ge1","formula_reduced":"SrGaGe","formula_anonymous":"ABC","energy":-10.91594068,"energy_per_atom":-3.6386468933333336,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.91594068,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004267,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.536000Z","spacegroup":187}]}