{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=updated_at&page=12148","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=updated_at&page=12146","results":[{"id":"mp-769928","created_at":"2022-09-04T14:48:30.914845Z","structure_string":"Li4 Nb1 V3 O8\n1.0\n10.578605 0.034197 0.012599\n8.862819 5.806242 0.009558\n14.148970 4.249377 2.572698\nLi Nb V O\n4 1 3 8\ndirect\n0.999919 0.000034 0.500015 Li\n0.000039 0.499985 0.499940 Li\n0.500008 0.999968 0.500075 Li\n0.500045 0.499963 0.499988 Li\n0.999766 0.000102 0.000099 Nb\n0.000154 0.500277 0.999698 V\n0.499812 0.000047 0.000129 V\n0.500195 0.499653 0.000094 V\n0.020140 0.021217 0.230672 O\n0.984458 0.497423 0.265785 O\n0.496537 0.985156 0.265676 O\n0.979774 0.978807 0.769422 O\n0.499517 0.500687 0.252833 O\n0.015677 0.502467 0.734356 O\n0.503547 0.014616 0.734189 O\n0.500410 0.499599 0.747028 O\n","nsites":16,"nelements":4,"elements":["Li","Nb","V","O"],"chemical_system":"Li-Nb-O-V","density":4.266684850589944,"density_atomic":0.10239685825439754,"volume":156.254794070431,"volume_molar":5.88117727698093,"formula_full":"Li4 Nb1 V3 O8","formula_reduced":"Li4NbV3O8","formula_anonymous":"AB3C4D8","energy":-123.7769985,"energy_per_atom":-7.73606240625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-113.1809985,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.58535,"is_theoretical":true,"updated_at":"2021-11-28T01:39:55.344000Z","spacegroup":12},{"id":"mp-27931","created_at":"2022-09-04T14:48:29.902516Z","structure_string":"Rb8 Sn4 O8\n1.0\n5.887143 0.000000 0.000000\n0.000000 7.641961 0.000000\n0.000000 0.000000 11.437671\nRb Sn O\n8 4 8\ndirect\n0.001079 0.646988 0.741555 Rb\n0.498921 0.353012 0.241555 Rb\n0.002883 0.608603 0.417686 Rb\n0.497117 0.391397 0.917686 Rb\n0.997117 0.108603 0.082314 Rb\n0.502883 0.891397 0.582314 Rb\n0.501079 0.853012 0.258445 Rb\n0.998921 0.146988 0.758445 Rb\n0.495617 0.889375 0.943394 Sn\n0.504383 0.389375 0.556606 Sn\n0.004383 0.110625 0.443394 Sn\n0.995617 0.610625 0.056606 Sn\n0.337678 0.694699 0.047649 O\n0.496393 0.583054 0.434862 O\n0.996393 0.916946 0.565138 O\n0.162322 0.305301 0.547649 O\n0.503607 0.083054 0.065138 O\n0.662322 0.194699 0.452351 O\n0.837678 0.805301 0.952351 O\n0.003607 0.416946 0.934862 O\n","nsites":20,"nelements":3,"elements":["Rb","Sn","O"],"chemical_system":"O-Rb-Sn","density":4.151815837119449,"density_atomic":0.03886717659217912,"volume":514.5730087331431,"volume_molar":15.494155449438486,"formula_full":"Rb8 Sn4 O8","formula_reduced":"Rb2SnO2","formula_anonymous":"AB2C2","energy":-96.34934099,"energy_per_atom":-4.8174670495,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.85334099,"band_gap":2.2252,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001914,"is_theoretical":false,"updated_at":"2021-11-28T01:39:55.347000Z","spacegroup":19},{"id":"mp-865969","created_at":"2022-09-04T14:48:30.214787Z","structure_string":"Lu1 Re1 Tc2\n1.0\n0.000000 3.197655 3.197655\n3.197655 0.000000 3.197655\n3.197655 3.197655 0.000000\nLu Re Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Re\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n","nsites":4,"nelements":3,"elements":["Lu","Re","Tc"],"chemical_system":"Lu-Re-Tc","density":14.148654071481431,"density_atomic":0.06116953512723376,"volume":65.39202875548958,"volume_molar":9.845000043688147,"formula_full":"Lu1 Re1 Tc2","formula_reduced":"LuReTc2","formula_anonymous":"ABC2","energy":-37.85216448,"energy_per_atom":-9.46304112,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.85216448,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001292,"is_theoretical":true,"updated_at":"2021-11-28T01:39:55.385000Z","spacegroup":225},{"id":"mp-1540553","created_at":"2022-09-04T14:48:30.804938Z","structure_string":"Rb2 Ti1 Te3 O12\n1.0\n5.112932 -0.031384 -5.112945\n-5.144317 5.144317 0.000000\n5.112958 5.112958 0.031394\nRb Ti Te O\n2 1 3 12\ndirect\n0.261753 0.128192 0.630879 Rb\n0.738247 0.866439 0.369121 Rb\n0.000000 0.497336 0.000000 Ti\n0.499998 0.497332 0.999997 Te\n0.500002 0.997334 0.000003 Te\n0.000000 0.497334 0.500000 Te\n0.651841 0.823255 0.929367 O\n0.868811 0.431748 0.319320 O\n0.253733 0.431753 0.934391 O\n0.255271 0.823256 0.325919 O\n0.253731 0.816648 0.934409 O\n0.255276 0.426690 0.325916 O\n0.348159 0.171413 0.070633 O\n0.131189 0.562937 0.680680 O\n0.746269 0.562916 0.065591 O\n0.744724 0.171414 0.674084 O\n0.746267 0.178020 0.065609 O\n0.744729 0.567985 0.674081 O\n","nsites":18,"nelements":4,"elements":["Rb","Ti","Te","O"],"chemical_system":"O-Rb-Te-Ti","density":4.884544572165867,"density_atomic":0.06671881786365685,"volume":269.7889527476922,"volume_molar":9.026150271886618,"formula_full":"Rb2 Ti1 Te3 O12","formula_reduced":"Rb2Ti(TeO4)3","formula_anonymous":"AB2C3D12","energy":-114.65113084,"energy_per_atom":-6.3695072688888885,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-106.40713084,"band_gap":1.6461,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0026379,"is_theoretical":true,"updated_at":"2021-11-28T01:39:55.389000Z","spacegroup":166},{"id":"mp-647350","created_at":"2022-09-04T14:48:31.663989Z","structure_string":"Rb10 Hf2 Fe2 Mo12 O48\n1.0\n5.116739 -8.862452 0.000000\n5.116739 8.862452 0.000000\n0.000000 0.000000 15.293673\nRb Hf Fe Mo O\n10 2 2 12 48\ndirect\n0.070585 0.315280 0.257483 Rb\n0.000000 0.000000 0.510067 Rb\n0.666667 0.333333 0.572763 Rb\n0.000000 0.000000 0.010067 Rb\n0.755304 0.070585 0.757483 Rb\n0.315280 0.244696 0.757483 Rb\n0.333333 0.666667 0.072763 Rb\n0.684720 0.755304 0.257483 Rb\n0.929415 0.684720 0.757483 Rb\n0.244696 0.929415 0.257483 Rb\n0.666667 0.333333 0.973196 Hf\n0.333333 0.666667 0.473196 Hf\n0.666667 0.333333 0.309873 Fe\n0.333333 0.666667 0.809873 Fe\n0.630501 0.657210 0.920770 Mo\n0.410359 0.313413 0.155887 Mo\n0.342790 0.973291 0.920770 Mo\n0.096946 0.410359 0.655887 Mo\n0.589641 0.686587 0.655887 Mo\n0.026709 0.369499 0.920770 Mo\n0.686587 0.096946 0.155887 Mo\n0.369499 0.342790 0.420770 Mo\n0.657210 0.026709 0.420770 Mo\n0.903054 0.589641 0.155887 Mo\n0.973291 0.630501 0.420770 Mo\n0.313413 0.903054 0.655887 Mo\n0.562304 0.406446 0.385089 O\n0.509025 0.763307 0.733677 O\n0.952901 0.779245 0.140843 O\n0.437696 0.593554 0.885089 O\n0.236693 0.745718 0.733677 O\n0.254282 0.490975 0.733677 O\n0.826192 0.314451 0.900154 O\n0.179995 0.944454 0.864431 O\n0.355298 0.844127 0.550896 O\n0.294487 0.940461 0.032199 O\n0.490975 0.236693 0.233677 O\n0.220755 0.173656 0.140843 O\n0.820005 0.055546 0.364431 O\n0.408828 0.475334 0.195337 O\n0.155858 0.562304 0.885089 O\n0.406446 0.844142 0.885089 O\n0.055546 0.235541 0.864431 O\n0.524666 0.933494 0.195337 O\n0.764459 0.820005 0.864431 O\n0.826344 0.047099 0.140843 O\n0.488259 0.173808 0.900154 O\n0.047099 0.220755 0.640843 O\n0.644702 0.155873 0.050896 O\n0.066506 0.591172 0.195337 O\n0.488830 0.644702 0.550896 O\n0.235541 0.179995 0.364431 O\n0.591172 0.524666 0.695337 O\n0.511170 0.355298 0.050896 O\n0.593554 0.155858 0.385089 O\n0.685549 0.511741 0.900154 O\n0.059539 0.354026 0.032199 O\n0.779245 0.826344 0.640843 O\n0.475334 0.066506 0.695337 O\n0.354026 0.294487 0.532199 O\n0.314451 0.488259 0.400154 O\n0.940461 0.645974 0.532199 O\n0.745718 0.509025 0.233677 O\n0.763307 0.254282 0.233677 O\n0.645974 0.705513 0.032199 O\n0.844127 0.488830 0.050896 O\n0.511741 0.826192 0.400154 O\n0.155873 0.511170 0.550896 O\n0.705513 0.059539 0.532199 O\n0.933494 0.408828 0.695337 O\n0.844142 0.437696 0.385089 O\n0.173808 0.685549 0.400154 O\n0.173656 0.952901 0.640843 O\n0.944454 0.764459 0.364431 O\n","nsites":74,"nelements":5,"elements":["Rb","Hf","Fe","Mo","O"],"chemical_system":"Fe-Hf-Mo-O-Rb","density":3.8819810611815475,"density_atomic":0.053351024467546186,"volume":1387.0399067034737,"volume_molar":11.287769672845387,"formula_full":"Rb10 Hf2 Fe2 Mo12 O48","formula_reduced":"Rb5HfFe(MoO4)6","formula_anonymous":"ABC5D6E24","energy":-578.2323463500001,"energy_per_atom":-7.813950626351352,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-502.32034635,"band_gap":3.6372,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0097379,"is_theoretical":false,"updated_at":"2021-11-28T01:39:55.421000Z","spacegroup":173},{"id":"mp-23278","created_at":"2022-09-04T14:48:31.009738Z","structure_string":"Np2 Cl6\n1.0\n3.721233 -6.445365 0.000000\n3.721233 6.445365 0.000000\n0.000000 0.000000 4.308629\nNp Cl\n2 6\ndirect\n0.666667 0.333333 0.750000 Np\n0.333333 0.666667 0.250000 Np\n0.608727 0.694439 0.750000 Cl\n0.914288 0.608727 0.250000 Cl\n0.391273 0.305561 0.250000 Cl\n0.085712 0.391273 0.750000 Cl\n0.305561 0.914288 0.750000 Cl\n0.694439 0.085712 0.250000 Cl\n","nsites":8,"nelements":2,"elements":["Np","Cl"],"chemical_system":"Cl-Np","density":5.5172676496231094,"density_atomic":0.03870673249643299,"volume":206.682390479156,"volume_molar":15.558380600984515,"formula_full":"Np2 Cl6","formula_reduced":"NpCl3","formula_anonymous":"AB3","energy":-54.85961096,"energy_per_atom":-6.85745137,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.17561096,"band_gap":0.0472999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.000247,"is_theoretical":false,"updated_at":"2021-11-28T01:39:55.439000Z","spacegroup":176},{"id":"mp-1028133","created_at":"2022-09-04T14:48:30.752434Z","structure_string":"Mg14 Mn1 Zn1\n1.0\n6.259045 0.000000 -0.000000\n-3.129522 5.420491 0.000000\n0.000000 0.000000 10.141684\nMg Mn Zn\n14 1 1\ndirect\n0.167538 0.833769 0.125000 Mg\n0.165134 0.832566 0.625000 Mg\n0.666231 0.332462 0.125000 Mg\n0.667434 0.334866 0.625000 Mg\n0.666231 0.833769 0.125000 Mg\n0.667434 0.832566 0.625000 Mg\n0.329905 0.170095 0.374695 Mg\n0.329905 0.170095 0.875305 Mg\n0.329905 0.659810 0.374695 Mg\n0.329905 0.659810 0.875305 Mg\n0.840190 0.170095 0.374695 Mg\n0.840190 0.170095 0.875305 Mg\n0.833333 0.666667 0.375104 Mg\n0.833333 0.666667 0.874896 Mg\n0.166667 0.333333 0.125000 Mn\n0.166667 0.333333 0.625000 Zn\n","nsites":16,"nelements":3,"elements":["Mg","Mn","Zn"],"chemical_system":"Mg-Mn-Zn","density":2.222963471350259,"density_atomic":0.04650109787729891,"volume":344.0778977352047,"volume_molar":12.950534578539301,"formula_full":"Mg14 Mn1 Zn1","formula_reduced":"Mg14MnZn","formula_anonymous":"ABC14","energy":-32.06057131,"energy_per_atom":-2.003785706875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.06057131,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.4419158,"is_theoretical":true,"updated_at":"2021-11-28T01:39:55.440000Z","spacegroup":187},{"id":"mp-9235","created_at":"2022-09-04T14:48:30.340886Z","structure_string":"La2 Ni2 Sb2\n1.0\n2.217129 -3.840179 0.000000\n2.217129 3.840179 0.000000\n0.000000 0.000000 8.393758\nLa Ni Sb\n2 2 2\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.666667 0.333333 0.750000 Ni\n0.333333 0.666667 0.250000 Ni\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n","nsites":6,"nelements":3,"elements":["La","Ni","Sb"],"chemical_system":"La-Ni-Sb","density":7.42043227228116,"density_atomic":0.04197806153857567,"volume":142.93180247225828,"volume_molar":14.34592389280759,"formula_full":"La2 Ni2 Sb2","formula_reduced":"LaNiSb","formula_anonymous":"ABC","energy":-35.36778207,"energy_per_atom":-5.8946303449999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.98378207,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0024616,"is_theoretical":false,"updated_at":"2021-11-28T01:39:55.490000Z","spacegroup":194},{"id":"mp-1211427","created_at":"2022-09-04T14:48:30.936953Z","structure_string":"Na3 Bi1 F6\n1.0\n-1.811869 -5.962804 0.357856\n-4.551311 7.507526 -0.345052\n-0.023484 1.486582 -8.473639\nNa Bi F\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Bi\n0.030435 0.279871 0.929975 F\n0.969565 0.720129 0.070025 F\n0.955471 0.948589 0.741208 F\n0.044529 0.051411 0.258792 F\n0.498993 0.749498 0.987861 F\n0.501007 0.250502 0.012139 F\n","nsites":10,"nelements":3,"elements":["Na","Bi","F"],"chemical_system":"Bi-F-Na","density":1.903625997927818,"density_atomic":0.029249119768511234,"volume":341.8906305264514,"volume_molar":20.58913501555443,"formula_full":"Na3 Bi1 F6","formula_reduced":"Na3BiF6","formula_anonymous":"AB3C6","energy":-46.44237985,"energy_per_atom":-4.644237985,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.67037985,"band_gap":4.3087,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.13e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:39:55.498000Z","spacegroup":2},{"id":"mp-1026468","created_at":"2022-09-04T14:48:31.665906Z","structure_string":"Mg14 Cd1 Mo1\n1.0\n6.304282 0.000000 0.000000\n-3.152141 5.459668 0.000000\n-0.000000 -0.000000 9.962351\nMg Cd Mo\n14 1 1\ndirect\n0.167634 0.833816 0.125000 Mg\n0.166941 0.833470 0.625000 Mg\n0.666184 0.332366 0.125000 Mg\n0.666530 0.333059 0.625000 Mg\n0.666184 0.833816 0.125000 Mg\n0.666530 0.833470 0.625000 Mg\n0.326882 0.173118 0.367863 Mg\n0.326882 0.173118 0.882137 Mg\n0.326882 0.653766 0.367863 Mg\n0.326882 0.653766 0.882137 Mg\n0.846234 0.173118 0.367863 Mg\n0.846234 0.173118 0.882137 Mg\n0.833333 0.666667 0.374086 Mg\n0.833333 0.666667 0.875914 Mg\n0.166667 0.333333 0.625000 Cd\n0.166667 0.333333 0.125000 Mo\n","nsites":16,"nelements":3,"elements":["Mg","Cd","Mo"],"chemical_system":"Cd-Mg-Mo","density":2.656793622334216,"density_atomic":0.04666124022083309,"volume":342.89701525885283,"volume_molar":12.906088075454248,"formula_full":"Mg14 Cd1 Mo1","formula_reduced":"Mg14CdMo","formula_anonymous":"ABC14","energy":-32.90776177,"energy_per_atom":-2.056735110625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.90776177,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0548765,"is_theoretical":true,"updated_at":"2021-11-28T01:39:55.528000Z","spacegroup":187},{"id":"mp-5730","created_at":"2022-09-04T14:48:30.740507Z","structure_string":"Ba6 B12 O24\n1.0\n5.694780 -6.335889 0.000000\n5.694780 6.335889 0.000000\n-1.354393 0.000000 8.410685\nBa B O\n6 12 24\ndirect\n0.741186 0.379494 0.028523 Ba\n0.379494 0.028523 0.741186 Ba\n0.028523 0.741186 0.379494 Ba\n0.528523 0.879494 0.241186 Ba\n0.879494 0.241186 0.528523 Ba\n0.241186 0.528523 0.879494 Ba\n0.877268 0.048923 0.093815 B\n0.048923 0.093815 0.877268 B\n0.093815 0.877268 0.048923 B\n0.593815 0.548923 0.377268 B\n0.548923 0.377268 0.593815 B\n0.377268 0.593815 0.548923 B\n0.344241 0.266492 0.120319 B\n0.120319 0.344241 0.266492 B\n0.266492 0.120319 0.344241 B\n0.766492 0.844241 0.620319 B\n0.620319 0.766492 0.844241 B\n0.844241 0.620319 0.766492 B\n0.421720 0.463655 0.628913 O\n0.628913 0.421720 0.463655 O\n0.463655 0.628913 0.421720 O\n0.963655 0.921720 0.128913 O\n0.128913 0.963655 0.921720 O\n0.921720 0.128913 0.963655 O\n0.428590 0.285726 0.999668 O\n0.999668 0.428590 0.285726 O\n0.285726 0.999668 0.428590 O\n0.785726 0.928590 0.499668 O\n0.499668 0.785726 0.928590 O\n0.928590 0.499668 0.785726 O\n0.223345 0.364775 0.149361 O\n0.149361 0.223345 0.364775 O\n0.364775 0.149361 0.223345 O\n0.864775 0.723345 0.649361 O\n0.649361 0.864775 0.723345 O\n0.723345 0.649361 0.864775 O\n0.262722 0.675056 0.596299 O\n0.596299 0.262722 0.675056 O\n0.675056 0.596299 0.262722 O\n0.175056 0.762722 0.096299 O\n0.096299 0.175056 0.762722 O\n0.762722 0.096299 0.175056 O\n","nsites":42,"nelements":3,"elements":["Ba","B","O"],"chemical_system":"B-Ba-O","density":3.6597829252758833,"density_atomic":0.06919957314563521,"volume":606.9401600441688,"volume_molar":8.70256923019741,"formula_full":"Ba6 B12 O24","formula_reduced":"Ba(BO2)2","formula_anonymous":"AB2C4","energy":-340.46924264,"energy_per_atom":-8.10641053904762,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-323.98124264,"band_gap":4.7902000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009065,"is_theoretical":false,"updated_at":"2021-11-28T01:39:55.547000Z","spacegroup":161},{"id":"mp-676767","created_at":"2022-09-04T14:48:29.031949Z","structure_string":"Ba8 Yb6 F34\n1.0\n9.373218 0.000000 0.000000\n2.777123 8.977755 0.000000\n2.827818 2.141476 8.776577\nBa Yb F\n8 6 34\ndirect\n0.928585 0.129888 0.678003 Ba\n0.728093 0.725773 0.725816 Ba\n0.678434 0.931245 0.128171 Ba\n0.871340 0.322349 0.069563 Ba\n0.126536 0.679073 0.937549 Ba\n0.323051 0.067036 0.870661 Ba\n0.273529 0.271061 0.273580 Ba\n0.065125 0.875906 0.315979 Ba\n0.842244 0.530674 0.391454 Yb\n0.535137 0.391060 0.839845 Yb\n0.610876 0.157635 0.468538 Yb\n0.400200 0.840724 0.529781 Yb\n0.469481 0.609607 0.158183 Yb\n0.160975 0.460760 0.606066 Yb\n0.000199 0.998359 0.001276 F\n0.982391 0.545770 0.822119 F\n0.863788 0.862422 0.861950 F\n0.962804 0.639578 0.509694 F\n0.825605 0.978493 0.543994 F\n0.925833 0.735665 0.205369 F\n0.545812 0.822762 0.978800 F\n0.639480 0.508726 0.958749 F\n0.736202 0.206104 0.925742 F\n0.734873 0.455201 0.649425 F\n0.792369 0.301394 0.411632 F\n0.653719 0.736627 0.454217 F\n0.511278 0.957360 0.639041 F\n0.700199 0.586469 0.207562 F\n0.794149 0.075067 0.263373 F\n0.453686 0.655401 0.745267 F\n0.589849 0.207931 0.699298 F\n0.404469 0.551368 0.540508 F\n0.413188 0.797159 0.297095 F\n0.545015 0.351495 0.266793 F\n0.205993 0.923507 0.733773 F\n0.295350 0.406786 0.801913 F\n0.492339 0.040988 0.360236 F\n0.348890 0.258649 0.545786 F\n0.205925 0.701058 0.591436 F\n0.258834 0.546679 0.345535 F\n0.264641 0.795037 0.073899 F\n0.361343 0.489421 0.042518 F\n0.456160 0.175764 0.019377 F\n0.074725 0.262676 0.793168 F\n0.177501 0.014845 0.457109 F\n0.042747 0.359588 0.489883 F\n0.137470 0.138024 0.136494 F\n0.021571 0.454838 0.176775 F\n","nsites":48,"nelements":3,"elements":["Ba","Yb","F"],"chemical_system":"Ba-F-Yb","density":6.256763280306028,"density_atomic":0.06499195524258261,"volume":738.5529458352175,"volume_molar":9.265978746942366,"formula_full":"Ba8 Yb6 F34","formula_reduced":"Ba4Yb3F17","formula_anonymous":"A3B4C17","energy":-272.00144229,"energy_per_atom":-5.666696714375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-256.29344229,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0092581,"is_theoretical":true,"updated_at":"2021-11-28T01:39:55.554000Z","spacegroup":1}]}