{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=10140","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=10138","results":[{"id":"mp-17229","created_at":"2022-09-04T14:48:09.675657Z","structure_string":"Rb2 Be6 Zn2 F18\n1.0\n3.392642 -5.876228 0.000000\n3.392642 5.876228 0.000000\n0.000000 0.000000 9.813901\nRb Be Zn F\n2 6 2 18\ndirect\n0.333333 0.666667 0.500000 Rb\n0.333333 0.666667 0.000000 Rb\n0.876072 0.266733 0.250000 Be\n0.876072 0.609339 0.750000 Be\n0.390661 0.266733 0.750000 Be\n0.733267 0.123928 0.750000 Be\n0.733267 0.609339 0.250000 Be\n0.390661 0.123928 0.250000 Be\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.754128 0.008033 0.619581 F\n0.253905 0.245872 0.619581 F\n0.991967 0.746095 0.619581 F\n0.991967 0.245872 0.380419 F\n0.906726 0.517003 0.250000 F\n0.610277 0.093274 0.250000 F\n0.482997 0.389723 0.250000 F\n0.482997 0.093274 0.750000 F\n0.610277 0.517003 0.750000 F\n0.906726 0.389723 0.750000 F\n0.991967 0.245872 0.119581 F\n0.253905 0.008033 0.380419 F\n0.754128 0.746095 0.380419 F\n0.754128 0.746095 0.119581 F\n0.253905 0.008033 0.119581 F\n0.754128 0.008033 0.880419 F\n0.253905 0.245872 0.880419 F\n0.991967 0.746095 0.880419 F\n","nsites":28,"nelements":4,"elements":["Rb","Be","Zn","F"],"chemical_system":"Be-F-Rb-Zn","density":2.961218443747644,"density_atomic":0.07155659894970481,"volume":391.29864206766507,"volume_molar":8.415912506172631,"formula_full":"Rb2 Be6 Zn2 F18","formula_reduced":"RbBe3ZnF9","formula_anonymous":"ABC3D9","energy":-154.11214975,"energy_per_atom":-5.504005348214285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-145.79614975,"band_gap":6.2767,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001567,"is_theoretical":false,"updated_at":"2021-11-28T01:38:30.911000Z","spacegroup":188},{"id":"mp-1209690","created_at":"2022-09-04T14:40:36.100464Z","structure_string":"Rb8 Be12 Zn8 F48\n1.0\n10.193555 0.000000 0.000000\n0.000000 10.193555 0.000000\n0.000000 0.000000 10.193555\nRb Be Zn F\n8 12 8 48\ndirect\n0.048496 0.048496 0.048496 Rb\n0.451504 0.951504 0.548496 Rb\n0.951504 0.548496 0.451504 Rb\n0.548496 0.451504 0.951504 Rb\n0.815873 0.815873 0.815873 Rb\n0.684127 0.184127 0.315873 Rb\n0.184127 0.315873 0.684127 Rb\n0.315873 0.684127 0.184127 Rb\n0.019801 0.214656 0.375622 Be\n0.480199 0.785344 0.875622 Be\n0.980199 0.714656 0.124378 Be\n0.375622 0.019801 0.214656 Be\n0.519801 0.285344 0.624378 Be\n0.875622 0.480199 0.785344 Be\n0.124378 0.980199 0.714656 Be\n0.624378 0.519801 0.285344 Be\n0.214656 0.375622 0.019801 Be\n0.714656 0.124378 0.980199 Be\n0.285344 0.624378 0.519801 Be\n0.785344 0.875622 0.480199 Be\n0.334710 0.334710 0.334710 Zn\n0.165290 0.665290 0.834710 Zn\n0.665290 0.834710 0.165290 Zn\n0.834710 0.165290 0.665290 Zn\n0.597815 0.597815 0.597815 Zn\n0.902185 0.402185 0.097815 Zn\n0.402185 0.097815 0.902185 Zn\n0.097815 0.902185 0.402185 Zn\n0.011912 0.068847 0.329672 F\n0.488088 0.931153 0.829672 F\n0.988088 0.568847 0.170328 F\n0.329672 0.011912 0.068847 F\n0.511912 0.431153 0.670328 F\n0.829672 0.488088 0.931153 F\n0.170328 0.988088 0.568847 F\n0.670328 0.511912 0.431153 F\n0.068847 0.329672 0.011912 F\n0.568847 0.170328 0.988088 F\n0.431153 0.670328 0.511912 F\n0.931153 0.829672 0.488088 F\n0.265869 0.495901 0.437797 F\n0.234131 0.504099 0.937797 F\n0.734131 0.995901 0.062203 F\n0.437797 0.265869 0.495901 F\n0.765869 0.004099 0.562203 F\n0.937797 0.234131 0.504099 F\n0.062203 0.734131 0.995901 F\n0.562203 0.765869 0.004099 F\n0.495901 0.437797 0.265869 F\n0.995901 0.062203 0.734131 F\n0.004099 0.562203 0.765869 F\n0.504099 0.937797 0.234131 F\n0.045547 0.805809 0.229896 F\n0.454453 0.194191 0.729896 F\n0.954453 0.305809 0.270104 F\n0.229896 0.045547 0.805809 F\n0.545547 0.694191 0.770104 F\n0.729896 0.454453 0.194191 F\n0.270104 0.954453 0.305809 F\n0.770104 0.545547 0.694191 F\n0.805809 0.229896 0.045547 F\n0.305809 0.270104 0.954453 F\n0.694191 0.770104 0.545547 F\n0.194191 0.729896 0.454453 F\n0.163530 0.256103 0.402188 F\n0.336470 0.743897 0.902188 F\n0.836470 0.756103 0.097812 F\n0.402188 0.163530 0.256103 F\n0.663530 0.243897 0.597812 F\n0.902188 0.336470 0.743897 F\n0.097812 0.836470 0.756103 F\n0.597812 0.663530 0.243897 F\n0.256103 0.402188 0.163530 F\n0.756103 0.097812 0.836470 F\n0.243897 0.597812 0.663530 F\n0.743897 0.902188 0.336470 F\n","nsites":76,"nelements":4,"elements":["Rb","Be","Zn","F"],"chemical_system":"Be-F-Rb-Zn","density":3.4914728683166345,"density_atomic":0.07175242455393445,"volume":1059.1976573958523,"volume_molar":8.392943928289577,"formula_full":"Rb8 Be12 Zn8 F48","formula_reduced":"Rb2Be3Zn2F12","formula_anonymous":"A2B2C3D12","energy":-396.1920147,"energy_per_atom":-5.213052825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-374.0160147,"band_gap":5.8392,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.07e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.908000Z","spacegroup":198},{"id":"mp-1111720","created_at":"2022-09-04T14:40:24.056572Z","structure_string":"Rb2 Bi1 Au1 Br6\n1.0\n0.000000 5.696932 5.696932\n5.696932 0.000000 5.696932\n5.696932 5.696932 0.000000\nRb Bi Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Au\n0.747136 0.252864 0.252864 Br\n0.252864 0.252864 0.747136 Br\n0.252864 0.747136 0.747136 Br\n0.252864 0.747136 0.252864 Br\n0.747136 0.252864 0.747136 Br\n0.747136 0.747136 0.252864 Br\n","nsites":10,"nelements":4,"elements":["Rb","Bi","Au","Br"],"chemical_system":"Au-Bi-Br-Rb","density":4.7433587828095565,"density_atomic":0.02704250367596922,"volume":369.788245933985,"volume_molar":22.269168684079553,"formula_full":"Rb2 Bi1 Au1 Br6","formula_reduced":"Rb2BiAuBr6","formula_anonymous":"ABC2D6","energy":-32.10566761,"energy_per_atom":-3.210566761,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.90166761,"band_gap":0.4108,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017849,"is_theoretical":true,"updated_at":"2021-11-28T01:35:03.769000Z","spacegroup":225},{"id":"mp-1111719","created_at":"2022-09-04T14:46:06.763945Z","structure_string":"Rb2 Bi1 Au1 Cl6\n1.0\n0.000000 5.433099 5.433099\n5.433099 0.000000 5.433099\n5.433099 5.433099 0.000000\nRb Bi Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Au\n0.749100 0.250900 0.250900 Cl\n0.250900 0.250900 0.749100 Cl\n0.250900 0.749100 0.749100 Cl\n0.250900 0.749100 0.250900 Cl\n0.749100 0.250900 0.749100 Cl\n0.749100 0.749100 0.250900 Cl\n","nsites":10,"nelements":4,"elements":["Rb","Bi","Au","Cl"],"chemical_system":"Au-Bi-Cl-Rb","density":4.087744081644799,"density_atomic":0.031176484953912207,"volume":320.754569181961,"volume_molar":19.316291650269275,"formula_full":"Rb2 Bi1 Au1 Cl6","formula_reduced":"Rb2BiAuCl6","formula_anonymous":"ABC2D6","energy":-35.66251022,"energy_per_atom":-3.5662510220000003,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.97851022,"band_gap":0.9711999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010089,"is_theoretical":true,"updated_at":"2021-11-28T01:37:25.325000Z","spacegroup":225},{"id":"mp-1111403","created_at":"2022-09-04T14:46:34.619095Z","structure_string":"Rb2 Bi1 Au1 F6\n1.0\n0.000000 4.749641 4.749641\n4.749641 0.000000 4.749641\n4.749641 4.749641 0.000000\nRb Bi Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Au\n0.761565 0.238435 0.238435 F\n0.238435 0.238435 0.761565 F\n0.238435 0.761565 0.761565 F\n0.238435 0.761565 0.238435 F\n0.761565 0.238435 0.761565 F\n0.761565 0.761565 0.238435 F\n","nsites":10,"nelements":4,"elements":["Rb","Bi","Au","F"],"chemical_system":"Au-Bi-F-Rb","density":5.353464907133315,"density_atomic":0.046664610986767135,"volume":214.29515404801592,"volume_molar":12.905155818630355,"formula_full":"Rb2 Bi1 Au1 F6","formula_reduced":"Rb2BiAuF6","formula_anonymous":"ABC2D6","energy":-44.23899116999999,"energy_per_atom":-4.4238991169999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.46699117,"band_gap":1.3242999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010881,"is_theoretical":true,"updated_at":"2021-11-28T01:37:37.644000Z","spacegroup":225},{"id":"mp-1111795","created_at":"2022-09-04T14:42:56.666026Z","structure_string":"Rb2 Bi1 Au1 I6\n1.0\n0.000000 6.070201 6.070201\n6.070201 0.000000 6.070201\n6.070201 6.070201 0.000000\nRb Bi Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Au\n0.744656 0.255344 0.255344 I\n0.255344 0.255344 0.744656 I\n0.255344 0.744656 0.744656 I\n0.255344 0.744656 0.255344 I\n0.744656 0.255344 0.744656 I\n0.744656 0.744656 0.255344 I\n","nsites":10,"nelements":4,"elements":["Rb","Bi","Au","I"],"chemical_system":"Au-Bi-I-Rb","density":4.967826397169348,"density_atomic":0.022354285258127358,"volume":447.34152242082064,"volume_molar":26.93953615810878,"formula_full":"Rb2 Bi1 Au1 I6","formula_reduced":"Rb2BiAuI6","formula_anonymous":"ABC2D6","energy":-27.98908762,"energy_per_atom":-2.798908762,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.71508762,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0032234,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.202000Z","spacegroup":225},{"id":"mp-557599","created_at":"2022-09-04T14:40:38.446411Z","structure_string":"Rb4 Bi2 Cl10 O40\n1.0\n8.297518 0.000000 0.000000\n-2.800409 10.319224 0.000000\n-4.039092 -2.150364 10.909270\nRb Bi Cl O\n4 2 10 40\ndirect\n0.094258 0.465931 0.236918 Rb\n0.430541 0.112154 0.209327 Rb\n0.905742 0.534069 0.763082 Rb\n0.569459 0.887846 0.790673 Rb\n0.743866 0.780901 0.279210 Bi\n0.256134 0.219099 0.720790 Bi\n0.708989 0.473129 0.371780 Cl\n0.451566 0.796230 0.415251 Cl\n0.008089 0.102814 0.359112 Cl\n0.991911 0.897186 0.640888 Cl\n0.373722 0.699649 0.045417 Cl\n0.626278 0.300351 0.954583 Cl\n0.291011 0.526871 0.628220 Cl\n0.095108 0.195790 0.936262 Cl\n0.904892 0.804210 0.063738 Cl\n0.548434 0.203770 0.584749 Cl\n0.468945 0.075685 0.607965 O\n0.742405 0.243427 0.632273 O\n0.917216 0.110765 0.913817 O\n0.914026 0.718304 0.159101 O\n0.934577 0.813555 0.718383 O\n0.206045 0.623095 0.050767 O\n0.194601 0.621123 0.629680 O\n0.515790 0.633199 0.098562 O\n0.521610 0.419571 0.291488 O\n0.268321 0.472771 0.506373 O\n0.257595 0.756573 0.367727 O\n0.824842 0.720825 0.943495 O\n0.444343 0.831862 0.123717 O\n0.213286 0.118541 0.921974 O\n0.086925 0.176698 0.485954 O\n0.189781 0.940906 0.681406 O\n0.647573 0.291739 0.079512 O\n0.199748 0.413607 0.682227 O\n0.731679 0.527229 0.493627 O\n0.810219 0.059094 0.318594 O\n0.935337 0.016297 0.646455 O\n0.497584 0.304857 0.655955 O\n0.352427 0.708261 0.920488 O\n0.800252 0.586393 0.317773 O\n0.064663 0.983703 0.353545 O\n0.502416 0.695143 0.344045 O\n0.085974 0.281696 0.840899 O\n0.082784 0.889235 0.086183 O\n0.484210 0.366801 0.901438 O\n0.065423 0.186445 0.281617 O\n0.793955 0.376905 0.949233 O\n0.913075 0.823302 0.514046 O\n0.525981 0.790024 0.542947 O\n0.786714 0.881459 0.078026 O\n0.175158 0.279175 0.056505 O\n0.805399 0.378877 0.370320 O\n0.478390 0.580429 0.708512 O\n0.474019 0.209976 0.457053 O\n0.555657 0.168138 0.876283 O\n0.531055 0.924315 0.392035 O\n","nsites":56,"nelements":4,"elements":["Rb","Bi","Cl","O"],"chemical_system":"Bi-Cl-O-Rb","density":3.118684447467407,"density_atomic":0.059951091361474654,"volume":934.0947550453823,"volume_molar":10.045089460823236,"formula_full":"Rb4 Bi2 Cl10 O40","formula_reduced":"Rb2Bi(ClO4)5","formula_anonymous":"AB2C5D20","energy":-273.23671135,"energy_per_atom":-4.879226988392857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-245.75671135,"band_gap":3.9676,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002293,"is_theoretical":false,"updated_at":"2021-11-28T01:35:06.042000Z","spacegroup":2},{"id":"mp-1219895","created_at":"2022-09-04T14:39:40.127351Z","structure_string":"Rb15 Bi3 I30 O6\n1.0\n8.404943 -11.522702 0.000000\n8.404943 11.522702 0.000000\n-7.392031 0.000000 12.197279\nRb Bi I O\n15 3 30 6\ndirect\n0.019822 0.237642 0.237642 Rb\n0.237642 0.237642 0.019822 Rb\n0.237642 0.019822 0.237642 Rb\n0.984293 0.763575 0.763575 Rb\n0.763575 0.763575 0.984293 Rb\n0.763575 0.984293 0.763575 Rb\n0.165145 0.835776 0.500057 Rb\n0.835776 0.500057 0.165145 Rb\n0.500057 0.165145 0.835776 Rb\n0.500057 0.835776 0.165145 Rb\n0.835776 0.165145 0.500057 Rb\n0.165145 0.500057 0.835776 Rb\n0.368102 0.583676 0.583676 Rb\n0.583676 0.583676 0.368102 Rb\n0.583676 0.368102 0.583676 Rb\n0.497275 0.497275 0.996130 Bi\n0.497275 0.996130 0.497275 Bi\n0.996130 0.497275 0.497275 Bi\n0.701140 0.701140 0.198377 I\n0.701140 0.198377 0.701140 I\n0.198377 0.701140 0.701140 I\n0.296088 0.296088 0.801392 I\n0.296088 0.801392 0.296088 I\n0.801392 0.296088 0.296088 I\n0.500385 0.000247 0.000247 I\n0.000247 0.000247 0.500385 I\n0.000247 0.500385 0.000247 I\n0.337700 0.337700 0.337700 I\n0.671941 0.671941 0.671941 I\n0.999748 0.999748 0.999748 I\n0.716618 0.016123 0.016123 I\n0.016123 0.016123 0.716618 I\n0.016123 0.716618 0.016123 I\n0.283441 0.983432 0.983432 I\n0.983432 0.983432 0.283441 I\n0.983432 0.283441 0.983432 I\n0.540555 0.352101 0.111431 I\n0.352101 0.111431 0.540555 I\n0.111431 0.540555 0.352101 I\n0.111431 0.352101 0.540555 I\n0.352101 0.540555 0.111431 I\n0.540555 0.111431 0.352101 I\n0.460181 0.651420 0.889751 I\n0.651420 0.889751 0.460181 I\n0.889751 0.460181 0.651420 I\n0.889751 0.651420 0.460181 I\n0.651420 0.460181 0.889751 I\n0.460181 0.889751 0.651420 I\n0.737335 0.263425 0.000359 O\n0.263425 0.000359 0.737335 O\n0.000359 0.737335 0.263425 O\n0.000359 0.263425 0.737335 O\n0.263425 0.737335 0.000359 O\n0.737335 0.000359 0.263425 O\n","nsites":54,"nelements":4,"elements":["Rb","Bi","I","O"],"chemical_system":"Bi-I-O-Rb","density":4.085067853165444,"density_atomic":0.022856603965084044,"volume":2362.5557008596243,"volume_molar":26.347487007253903,"formula_full":"Rb15 Bi3 I30 O6","formula_reduced":"Rb5Bi(I5O)2","formula_anonymous":"AB2C5D10","energy":-151.92312189999998,"energy_per_atom":-2.813391146296296,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-136.4311219,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0096878,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.708000Z","spacegroup":160},{"id":"mp-1201257","created_at":"2022-09-04T14:40:59.366433Z","structure_string":"Rb4 Bi2 I10 O30\n1.0\n-8.415533 0.000000 0.000000\n0.000000 0.000000 -8.494240\n0.000000 -11.939963 4.247120\nRb Bi I O\n4 2 10 30\ndirect\n0.000000 0.648043 0.000000 Rb\n0.000000 0.148043 0.000000 Rb\n0.525490 0.383321 0.500000 Rb\n0.474510 0.883321 0.500000 Rb\n0.500000 0.746977 0.000000 Bi\n0.500000 0.246977 0.000000 Bi\n0.757118 0.743301 0.733574 I\n0.242882 0.009727 0.266426 I\n0.242882 0.243301 0.733574 I\n0.757118 0.509727 0.266426 I\n0.728705 0.993600 0.211263 I\n0.271295 0.782338 0.788737 I\n0.271295 0.493600 0.211263 I\n0.728705 0.282338 0.788737 I\n0.060727 0.440382 0.500000 I\n0.939273 0.940382 0.500000 I\n0.931749 0.987069 0.161915 O\n0.068251 0.825154 0.838085 O\n0.068251 0.487069 0.161915 O\n0.931749 0.325154 0.838085 O\n0.557857 0.735235 0.674945 O\n0.442143 0.060290 0.325055 O\n0.442143 0.235235 0.674945 O\n0.557857 0.560290 0.325055 O\n0.620317 0.011534 0.084519 O\n0.379683 0.927015 0.915481 O\n0.379683 0.511534 0.084519 O\n0.620317 0.427015 0.915481 O\n0.686038 0.767082 0.161387 O\n0.313962 0.605696 0.838613 O\n0.313962 0.267082 0.161387 O\n0.686038 0.105696 0.838613 O\n0.714318 0.747646 0.877421 O\n0.285682 0.870226 0.122579 O\n0.285682 0.247646 0.877421 O\n0.714318 0.370226 0.122579 O\n0.809686 0.522133 0.672111 O\n0.190313 0.850021 0.327889 O\n0.190313 0.022133 0.672111 O\n0.809686 0.350021 0.327889 O\n0.101814 0.227540 0.500000 O\n0.898186 0.727540 0.500000 O\n0.195872 0.554310 0.613849 O\n0.804128 0.940461 0.386151 O\n0.804128 0.054310 0.613849 O\n0.195872 0.440461 0.386151 O\n","nsites":46,"nelements":4,"elements":["Rb","Bi","I","O"],"chemical_system":"Bi-I-O-Rb","density":4.881082677081365,"density_atomic":0.05389502724190996,"volume":853.5110260456346,"volume_molar":11.17383378056269,"formula_full":"Rb4 Bi2 I10 O30","formula_reduced":"Rb2Bi(IO3)5","formula_anonymous":"AB2C5D15","energy":-229.60195285,"energy_per_atom":-4.991346801086957,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-208.99195285,"band_gap":2.9609000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0033616,"is_theoretical":false,"updated_at":"2021-11-28T01:35:20.654000Z","spacegroup":39},{"id":"mp-558816","created_at":"2022-09-04T14:40:52.391911Z","structure_string":"Rb4 Bi4 Mo8 O32\n1.0\n12.312748 0.000000 0.000000\n0.000000 5.378336 0.000000\n0.000000 0.456374 11.809818\nRb Bi Mo O\n4 4 8 32\ndirect\n0.375531 0.016652 0.621608 Rb\n0.124469 0.516652 0.621608 Rb\n0.875531 0.483348 0.378392 Rb\n0.624469 0.983348 0.378392 Rb\n0.875709 0.509030 0.879273 Bi\n0.375709 0.990970 0.120727 Bi\n0.124291 0.490970 0.120727 Bi\n0.624291 0.009030 0.879273 Bi\n0.145770 0.995848 0.341886 Mo\n0.113113 0.023395 0.887437 Mo\n0.886887 0.976605 0.112563 Mo\n0.386887 0.523395 0.887437 Mo\n0.854230 0.004152 0.658114 Mo\n0.354230 0.495848 0.341886 Mo\n0.613113 0.476605 0.112563 Mo\n0.645770 0.504152 0.658114 Mo\n0.803996 0.844583 0.001135 O\n0.540268 0.748388 0.050757 O\n0.935624 0.757662 0.730513 O\n0.709929 0.684317 0.777831 O\n0.051522 0.815523 0.418609 O\n0.435624 0.742338 0.269487 O\n0.695685 0.577620 0.222027 O\n0.195685 0.922380 0.777973 O\n0.551522 0.684477 0.581391 O\n0.696004 0.344583 0.001135 O\n0.024887 0.259008 0.823810 O\n0.564376 0.257662 0.730513 O\n0.459732 0.251612 0.949243 O\n0.975113 0.740992 0.176190 O\n0.448478 0.315523 0.418609 O\n0.524887 0.240992 0.176190 O\n0.303996 0.655417 0.998865 O\n0.773614 0.842399 0.560337 O\n0.290071 0.315683 0.222169 O\n0.790071 0.184317 0.777831 O\n0.726386 0.342399 0.560337 O\n0.273614 0.657601 0.439663 O\n0.959732 0.248388 0.050757 O\n0.804315 0.077620 0.222027 O\n0.196004 0.155417 0.998865 O\n0.226386 0.157601 0.439663 O\n0.304315 0.422380 0.777973 O\n0.948478 0.184477 0.581391 O\n0.475113 0.759008 0.823810 O\n0.064376 0.242338 0.269487 O\n0.209929 0.815683 0.222169 O\n0.040268 0.751612 0.949243 O\n","nsites":48,"nelements":4,"elements":["Rb","Bi","Mo","O"],"chemical_system":"Bi-Mo-O-Rb","density":5.217470723641577,"density_atomic":0.06137550961556764,"volume":782.0708992993029,"volume_molar":9.81196049975039,"formula_full":"Rb4 Bi4 Mo8 O32","formula_reduced":"RbBi(MoO4)2","formula_anonymous":"ABC2D8","energy":-361.45909468,"energy_per_atom":-7.530397805833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-313.85909468,"band_gap":2.9748,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.004127,"is_theoretical":false,"updated_at":"2021-11-28T01:34:58.434000Z","spacegroup":14},{"id":"mp-989573","created_at":"2022-09-04T14:39:33.169948Z","structure_string":"Rb2 Br1 Cl6 F1\n1.0\n0.000000 5.125468 5.125468\n5.125468 0.000000 5.125468\n5.125468 5.125468 0.000000\nRb Br Cl F\n2 1 6 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Br\n0.258680 0.741320 0.741320 Cl\n0.258680 0.741320 0.258680 Cl\n0.741320 0.258680 0.741320 Cl\n0.741320 0.741320 0.258680 Cl\n0.258680 0.258680 0.741320 Cl\n0.741320 0.258680 0.258680 Cl\n0.000000 0.000000 0.000000 F\n","nsites":10,"nelements":4,"elements":["Rb","Br","Cl","F"],"chemical_system":"Br-Cl-F-Rb","density":2.975543100344912,"density_atomic":0.03713380265728366,"volume":269.29641686019295,"volume_molar":16.217409284957192,"formula_full":"Rb2 Br1 Cl6 F1","formula_reduced":"Rb2BrCl6F","formula_anonymous":"ABC2D6","energy":-28.41605019,"energy_per_atom":-2.841605019,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.27005019,"band_gap":0.9203,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.722000Z","spacegroup":225},{"id":"mp-580962","created_at":"2022-09-04T14:39:14.896964Z","structure_string":"Rb2 C4 I6 N4\n1.0\n4.612451 0.000000 0.000000\n0.000000 7.362252 0.000000\n0.000000 0.000000 16.094826\nRb C I N\n2 4 6 4\ndirect\n0.151972 0.000000 0.500000 Rb\n0.848028 0.500000 0.000000 Rb\n0.283985 0.500000 0.800575 C\n0.283985 0.500000 0.199425 C\n0.716015 0.000000 0.699425 C\n0.716015 0.000000 0.300575 C\n0.876895 0.000000 0.180400 I\n0.173664 0.000000 0.000000 I\n0.123105 0.500000 0.319600 I\n0.123105 0.500000 0.680400 I\n0.876895 0.000000 0.819600 I\n0.826336 0.500000 0.500000 I\n0.368702 0.500000 0.869346 N\n0.631298 0.000000 0.630654 N\n0.368702 0.500000 0.130654 N\n0.631298 0.000000 0.369346 N\n","nsites":16,"nelements":4,"elements":["Rb","C","I","N"],"chemical_system":"C-I-N-Rb","density":3.1489168233541887,"density_atomic":0.029274619066013443,"volume":546.5485294247707,"volume_molar":20.57120110229357,"formula_full":"Rb2 C4 I6 N4","formula_reduced":"RbC2I3N2","formula_anonymous":"AB2C2D3","energy":-84.77746455,"energy_per_atom":-5.298591534375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-81.05946455,"band_gap":3.1541,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016524,"is_theoretical":false,"updated_at":"2021-11-28T01:34:43.751000Z","spacegroup":59}]}