{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=76","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=74","results":[{"id":"mp-866301","created_at":"2022-09-04T14:46:24.585636Z","structure_string":"Ba4 B4 Sb4 S16\n1.0\n6.263939 0.000000 0.000000\n0.000000 9.953291 0.000000\n0.000000 0.000000 11.898017\nBa B Sb S\n4 4 4 16\ndirect\n0.250000 0.483989 0.666953 Ba\n0.750000 0.016011 0.166953 Ba\n0.250000 0.983989 0.833047 Ba\n0.750000 0.516011 0.333047 Ba\n0.250000 0.192184 0.450520 B\n0.750000 0.307816 0.950520 B\n0.250000 0.692184 0.049480 B\n0.750000 0.807816 0.549480 B\n0.250000 0.810131 0.459671 Sb\n0.750000 0.689869 0.959671 Sb\n0.250000 0.310131 0.040329 Sb\n0.750000 0.189869 0.540329 Sb\n0.250000 0.169854 0.600092 S\n0.750000 0.330146 0.100092 S\n0.250000 0.669854 0.899908 S\n0.750000 0.830146 0.399908 S\n0.250000 0.575271 0.408602 S\n0.750000 0.924729 0.908602 S\n0.250000 0.075271 0.091398 S\n0.750000 0.424729 0.591398 S\n0.997565 0.792163 0.628359 S\n0.002435 0.707837 0.128359 S\n0.502435 0.292163 0.871641 S\n0.497565 0.207837 0.371641 S\n0.002435 0.207837 0.371641 S\n0.997565 0.292163 0.871641 S\n0.497565 0.707837 0.128359 S\n0.502435 0.792163 0.628359 S\n","nsites":28,"nelements":4,"elements":["Ba","B","Sb","S"],"chemical_system":"B-Ba-S-Sb","density":3.5651329376552092,"density_atomic":0.03774585132099322,"volume":741.803377592047,"volume_molar":15.954444128938349,"formula_full":"Ba4 B4 Sb4 S16","formula_reduced":"BaBSbS4","formula_anonymous":"ABCD4","energy":-151.01216985,"energy_per_atom":-5.393291780357143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-142.96416985,"band_gap":2.3423000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:40.667000Z","spacegroup":62},{"id":"mp-831258","created_at":"2022-09-04T14:46:24.588491Z","structure_string":"V6 O12 F6\n1.0\n2.614126 8.764963 0.000000\n-2.614126 8.764963 0.000000\n0.000000 3.015924 6.723917\nV O F\n6 12 6\ndirect\n0.051542 0.963636 0.515609 V\n0.963636 0.051542 0.015609 V\n0.721498 0.624665 0.345651 V\n0.624665 0.721498 0.845651 V\n0.336588 0.343671 0.186863 V\n0.343671 0.336588 0.686863 V\n0.936746 0.056592 0.742999 O\n0.863662 0.321008 0.938811 O\n0.751529 0.585695 0.574036 O\n0.585695 0.751529 0.074036 O\n0.626309 0.225262 0.105554 O\n0.445596 0.027985 0.717775 O\n0.321008 0.863662 0.438811 O\n0.056592 0.936746 0.242999 O\n0.409123 0.250042 0.913140 O\n0.250042 0.409123 0.413140 O\n0.225262 0.626309 0.605554 O\n0.027985 0.445596 0.217775 O\n0.789231 0.351020 0.383796 F\n0.970624 0.552818 0.774766 F\n0.552818 0.970624 0.274766 F\n0.689001 0.108101 0.551268 F\n0.351020 0.789231 0.883796 F\n0.108101 0.689001 0.051268 F\n","nsites":24,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":3.296176881701563,"density_atomic":0.07789010664332026,"volume":308.12642367922865,"volume_molar":7.7315862302988,"formula_full":"V6 O12 F6","formula_reduced":"VO2F","formula_anonymous":"ABC2","energy":-183.72053968,"energy_per_atom":-7.655022486666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-162.50453968,"band_gap":1.4981,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0024977,"is_theoretical":true,"updated_at":"2021-11-28T01:37:38.432000Z","spacegroup":9},{"id":"mp-1111981","created_at":"2022-09-04T14:46:24.589732Z","structure_string":"K2 Ga1 Hg1 Cl6\n1.0\n0.000000 5.235014 5.235014\n5.235014 0.000000 5.235014\n5.235014 5.235014 0.000000\nK Ga Hg Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Hg\n0.767854 0.232146 0.232146 Cl\n0.232146 0.232146 0.767854 Cl\n0.232146 0.767854 0.767854 Cl\n0.232146 0.767854 0.232146 Cl\n0.767854 0.232146 0.767854 Cl\n0.767854 0.767854 0.232146 Cl\n","nsites":10,"nelements":4,"elements":["K","Ga","Hg","Cl"],"chemical_system":"Cl-Ga-Hg-K","density":3.2479144396343496,"density_atomic":0.03485109773409912,"volume":286.9350077950563,"volume_molar":17.27963005913527,"formula_full":"K2 Ga1 Hg1 Cl6","formula_reduced":"K2GaHgCl6","formula_anonymous":"ABC2D6","energy":-32.72085414,"energy_per_atom":-3.272085414,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.03685414,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0040674,"is_theoretical":true,"updated_at":"2021-11-28T01:37:36.319000Z","spacegroup":225},{"id":"mp-999498","created_at":"2022-09-04T14:46:24.608362Z","structure_string":"N4\n1.0\n-1.902148 1.902148 1.902148\n1.902148 -1.902148 1.902148\n1.902148 1.902148 -1.902148\nN\n4\ndirect\n0.328702 0.328702 0.328702 N\n0.500000 0.000000 0.171298 N\n0.000000 0.171298 0.500000 N\n0.171298 0.500000 0.000000 N\n","nsites":4,"nelements":1,"elements":["N"],"chemical_system":"N","density":3.379496565757236,"density_atomic":0.14530049207850398,"volume":27.529156596653863,"volume_molar":4.144611400728302,"formula_full":"N4","formula_reduced":"N","formula_anonymous":"A","energy":-27.37226736,"energy_per_atom":-6.84306684,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.37226736,"band_gap":3.9594,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002313,"is_theoretical":true,"updated_at":"2021-11-28T01:37:35.472000Z","spacegroup":199},{"id":"mp-1111142","created_at":"2022-09-04T14:46:24.617999Z","structure_string":"Na1 Li2 Ga1 F6\n1.0\n0.000000 4.055967 4.055967\n4.055967 0.000000 4.055967\n4.055967 4.055967 0.000000\nNa Li Ga F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Na\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Ga\n0.765651 0.234349 0.234349 F\n0.234349 0.234349 0.765651 F\n0.234349 0.765651 0.765651 F\n0.234349 0.765651 0.234349 F\n0.765651 0.234349 0.765651 F\n0.765651 0.765651 0.234349 F\n","nsites":10,"nelements":4,"elements":["Na","Li","Ga","F"],"chemical_system":"F-Ga-Li-Na","density":2.7448095177513645,"density_atomic":0.07493535443109513,"volume":133.44835793357382,"volume_molar":8.036447956668443,"formula_full":"Na1 Li2 Ga1 F6","formula_reduced":"NaLi2GaF6","formula_anonymous":"ABC2D6","energy":-48.00046657,"energy_per_atom":-4.800046657,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.22846657000001,"band_gap":5.3441,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":4.15e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:35.160000Z","spacegroup":225},{"id":"mp-1217847","created_at":"2022-09-04T14:46:24.586695Z","structure_string":"Sr2 Ti8 Bi8 O30\n1.0\n2.749394 -20.604911 0.000000\n2.749394 20.604911 0.000000\n0.000000 0.000000 5.556209\nSr Ti Bi O\n2 8 8 30\ndirect\n0.757845 0.757845 0.760531 Sr\n0.242155 0.242155 0.260531 Sr\n0.204452 0.300379 0.768944 Ti\n0.300379 0.204452 0.768944 Ti\n0.795548 0.699621 0.268944 Ti\n0.699621 0.795548 0.268944 Ti\n0.099147 0.403451 0.770346 Ti\n0.403451 0.099147 0.770346 Ti\n0.900853 0.596549 0.270346 Ti\n0.596549 0.900853 0.270346 Ti\n0.859310 0.653620 0.717594 Bi\n0.653620 0.859310 0.717594 Bi\n0.140690 0.346380 0.217594 Bi\n0.346380 0.140690 0.217594 Bi\n0.939841 0.501470 0.733119 Bi\n0.501471 0.939841 0.733119 Bi\n0.060159 0.498530 0.233119 Bi\n0.498530 0.060159 0.233119 Bi\n0.117248 0.506424 0.784751 O\n0.506424 0.117248 0.784751 O\n0.882752 0.493576 0.284751 O\n0.493576 0.882752 0.284751 O\n0.515377 0.408067 0.090832 O\n0.408067 0.515377 0.090832 O\n0.484623 0.591933 0.590832 O\n0.591933 0.484623 0.590832 O\n0.756621 0.254457 0.999803 O\n0.254457 0.756621 0.999803 O\n0.243379 0.745543 0.499803 O\n0.745543 0.243379 0.499803 O\n0.074249 0.988713 0.524865 O\n0.988713 0.074249 0.524865 O\n0.925751 0.011287 0.024865 O\n0.011287 0.925751 0.024865 O\n0.092912 0.283997 0.817449 O\n0.283997 0.092912 0.817449 O\n0.907088 0.716003 0.317449 O\n0.716003 0.907088 0.317449 O\n0.300246 0.300246 0.804093 O\n0.699754 0.699754 0.304093 O\n0.118531 0.821744 0.569490 O\n0.821744 0.118531 0.569490 O\n0.881469 0.178256 0.069490 O\n0.178256 0.881469 0.069490 O\n0.651474 0.374785 0.027494 O\n0.374785 0.651474 0.027494 O\n0.348526 0.625215 0.527494 O\n0.625215 0.348526 0.527494 O\n","nsites":48,"nelements":4,"elements":["Sr","Ti","Bi","O"],"chemical_system":"Bi-O-Sr-Ti","density":7.148292051899277,"density_atomic":0.0762473834092823,"volume":629.5297996305603,"volume_molar":7.8981605541454805,"formula_full":"Sr2 Ti8 Bi8 O30","formula_reduced":"SrTi4Bi4O15","formula_anonymous":"AB4C4D15","energy":-378.41710135,"energy_per_atom":-7.883689611458333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-357.80710135,"band_gap":1.7965,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0123,"is_theoretical":true,"updated_at":"2021-11-28T01:37:29.362000Z","spacegroup":36},{"id":"mp-1203461","created_at":"2022-09-04T14:46:24.591978Z","structure_string":"Rb8 Eu4 Ga4 Si16 O48\n1.0\n3.732336 13.741020 0.000000\n-3.732336 13.741020 0.000000\n0.000000 8.348745 12.648611\nRb Eu Ga Si O\n8 4 4 16 48\ndirect\n0.193840 0.189772 0.034863 Rb\n0.810228 0.806160 0.465137 Rb\n0.806160 0.810228 0.965137 Rb\n0.189772 0.193840 0.534863 Rb\n0.725284 0.203973 0.455451 Rb\n0.796027 0.274716 0.044549 Rb\n0.274716 0.796027 0.544549 Rb\n0.203973 0.725284 0.955451 Rb\n0.014230 0.448050 0.749937 Eu\n0.551950 0.985770 0.750063 Eu\n0.985770 0.551950 0.250063 Eu\n0.448050 0.014230 0.249937 Eu\n0.267258 0.873163 0.272361 Ga\n0.126837 0.732742 0.227639 Ga\n0.732742 0.126837 0.727639 Ga\n0.873163 0.267258 0.772361 Ga\n0.693381 0.640133 0.992621 Si\n0.359867 0.306619 0.507379 Si\n0.306619 0.359867 0.007379 Si\n0.640133 0.693381 0.492621 Si\n0.206694 0.669377 0.422788 Si\n0.330623 0.793306 0.077212 Si\n0.793306 0.330623 0.577212 Si\n0.669377 0.206694 0.922788 Si\n0.023572 0.738411 0.661320 Si\n0.261589 0.976428 0.838680 Si\n0.976428 0.261589 0.338680 Si\n0.738411 0.023572 0.161320 Si\n0.316192 0.360819 0.794756 Si\n0.639181 0.683808 0.705244 Si\n0.683808 0.639181 0.205244 Si\n0.360819 0.316192 0.294756 Si\n0.875648 0.469171 0.925685 O\n0.530829 0.124352 0.574315 O\n0.124352 0.530829 0.074315 O\n0.469171 0.875648 0.425685 O\n0.765923 0.582341 0.090584 O\n0.417659 0.234077 0.409416 O\n0.234077 0.417659 0.909416 O\n0.582341 0.765923 0.590584 O\n0.069583 0.792298 0.344368 O\n0.207702 0.930417 0.155632 O\n0.930417 0.207702 0.655632 O\n0.792298 0.069583 0.844368 O\n0.328569 0.682907 0.375885 O\n0.317093 0.671431 0.124115 O\n0.671431 0.317093 0.624115 O\n0.682907 0.328569 0.875885 O\n0.064797 0.756593 0.532288 O\n0.243407 0.935203 0.967712 O\n0.935203 0.243407 0.467712 O\n0.756593 0.064797 0.032288 O\n0.231511 0.542944 0.700797 O\n0.457056 0.768489 0.799203 O\n0.768489 0.457056 0.299203 O\n0.542944 0.231511 0.200797 O\n0.892521 0.735535 0.724017 O\n0.264465 0.107479 0.775983 O\n0.107479 0.264465 0.275983 O\n0.735535 0.892521 0.224017 O\n0.939618 0.912725 0.669708 O\n0.087275 0.060382 0.830292 O\n0.060382 0.087275 0.330292 O\n0.912725 0.939618 0.169708 O\n0.578212 0.846115 0.926619 O\n0.153885 0.421788 0.573381 O\n0.421788 0.153885 0.073381 O\n0.846115 0.578212 0.426619 O\n0.554871 0.640532 0.054754 O\n0.359468 0.445129 0.445246 O\n0.445129 0.359468 0.945246 O\n0.640532 0.554871 0.554754 O\n0.547550 0.173468 0.769777 O\n0.826532 0.452450 0.730223 O\n0.452450 0.826532 0.230223 O\n0.173468 0.547550 0.269777 O\n0.258938 0.297847 0.799273 O\n0.702153 0.741062 0.700727 O\n0.741062 0.702153 0.200727 O\n0.297847 0.258938 0.299273 O\n","nsites":80,"nelements":5,"elements":["Rb","Eu","Ga","Si","O"],"chemical_system":"Eu-Ga-O-Rb-Si","density":3.5681473846864384,"density_atomic":0.06166197764865788,"volume":1297.3959488589524,"volume_molar":9.766376281852967,"formula_full":"Rb8 Eu4 Ga4 Si16 O48","formula_reduced":"Rb2EuGa(SiO3)4","formula_anonymous":"ABC2D4E12","energy":-613.06894919,"energy_per_atom":-7.663361864875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-580.09294919,"band_gap":0.6622999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003737,"is_theoretical":false,"updated_at":"2021-11-28T01:37:33.983000Z","spacegroup":15},{"id":"mp-680118","created_at":"2022-09-04T14:46:24.596354Z","structure_string":"Cd15 I30\n1.0\n2.171559 -3.761251 0.000000\n2.171559 3.761251 0.000000\n0.000000 0.000000 110.403291\nCd I\n15 30\ndirect\n0.000000 0.000000 0.016669 Cd\n0.000000 0.000000 0.816663 Cd\n0.333333 0.666667 0.616662 Cd\n0.000000 0.000000 0.683334 Cd\n0.333333 0.666667 0.483341 Cd\n0.333333 0.666667 0.949994 Cd\n0.000000 0.000000 0.550011 Cd\n0.000000 0.000000 0.283336 Cd\n0.333333 0.666667 0.216661 Cd\n0.333333 0.666667 0.083331 Cd\n0.000000 0.000000 0.149995 Cd\n0.333333 0.666667 0.883333 Cd\n0.000000 0.000000 0.416664 Cd\n0.333333 0.666667 0.749997 Cd\n0.333333 0.666667 0.349987 Cd\n0.666667 0.333333 0.565664 I\n0.333333 0.666667 0.401006 I\n0.666667 0.333333 0.432317 I\n0.000000 0.000000 0.334331 I\n0.666667 0.333333 0.365646 I\n0.666667 0.333333 0.898995 I\n0.666667 0.333333 0.965649 I\n0.666667 0.333333 0.232324 I\n0.333333 0.666667 0.534358 I\n0.666667 0.333333 0.698991 I\n0.000000 0.000000 0.867679 I\n0.666667 0.333333 0.765654 I\n0.333333 0.666667 0.667682 I\n0.333333 0.666667 0.801017 I\n0.000000 0.000000 0.467684 I\n0.000000 0.000000 0.734341 I\n0.666667 0.333333 0.632317 I\n0.000000 0.000000 0.201009 I\n0.666667 0.333333 0.098988 I\n0.000000 0.000000 0.601001 I\n0.333333 0.666667 0.001017 I\n0.333333 0.666667 0.134348 I\n0.000000 0.000000 0.067673 I\n0.666667 0.333333 0.032327 I\n0.333333 0.666667 0.267682 I\n0.666667 0.333333 0.298998 I\n0.000000 0.000000 0.934337 I\n0.666667 0.333333 0.832323 I\n0.666667 0.333333 0.165655 I\n0.666667 0.333333 0.499005 I\n","nsites":45,"nelements":2,"elements":["Cd","I"],"chemical_system":"Cd-I","density":5.0578550496347585,"density_atomic":0.02495149368145,"volume":1803.499244354053,"volume_molar":24.13539180011943,"formula_full":"Cd15 I30","formula_reduced":"CdI2","formula_anonymous":"AB2","energy":-97.248614,"energy_per_atom":-2.161080311111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.878614,"band_gap":2.3316,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0062518,"is_theoretical":false,"updated_at":"2021-11-28T01:37:35.769000Z","spacegroup":156},{"id":"mp-865669","created_at":"2022-09-04T14:46:24.627825Z","structure_string":"Ti1 Si1 Tc2\n1.0\n0.000000 3.037853 3.037853\n3.037853 0.000000 3.037853\n3.037853 3.037853 0.000000\nTi Si Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Si\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n","nsites":4,"nelements":3,"elements":["Ti","Si","Tc"],"chemical_system":"Si-Tc-Ti","density":8.054004965722193,"density_atomic":0.07133944582539879,"volume":56.0699617682745,"volume_molar":8.441530054409188,"formula_full":"Ti1 Si1 Tc2","formula_reduced":"TiSiTc2","formula_anonymous":"ABC2","energy":-36.25017813,"energy_per_atom":-9.0625445325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.25017813,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0344319,"is_theoretical":true,"updated_at":"2021-11-28T01:37:36.467000Z","spacegroup":225},{"id":"mp-721586","created_at":"2022-09-04T14:46:24.629268Z","structure_string":"Ba4 Si8 H24 O32\n1.0\n10.749915 0.000000 0.000000\n0.000000 7.931906 0.000000\n0.000000 0.751223 8.523359\nBa Si H O\n4 8 24 32\ndirect\n0.647412 0.796838 0.625837 Ba\n0.147412 0.203162 0.874163 Ba\n0.352588 0.203162 0.374163 Ba\n0.852588 0.796838 0.125837 Ba\n0.882464 0.510268 0.774306 Si\n0.382464 0.489732 0.725694 Si\n0.117536 0.489732 0.225694 Si\n0.617536 0.510268 0.274306 Si\n0.744956 0.299597 0.032064 Si\n0.244956 0.700403 0.467936 Si\n0.255044 0.700403 0.967936 Si\n0.755044 0.299597 0.532064 Si\n0.911797 0.881644 0.806024 H\n0.411797 0.118356 0.693976 H\n0.088203 0.118356 0.193976 H\n0.588203 0.881644 0.306024 H\n0.858794 0.065113 0.774277 H\n0.358794 0.934887 0.725723 H\n0.141206 0.934887 0.225723 H\n0.641206 0.065113 0.274277 H\n0.612571 0.004641 0.953373 H\n0.112571 0.995359 0.546627 H\n0.387429 0.995359 0.046627 H\n0.887429 0.004641 0.453373 H\n0.536676 0.834683 0.996236 H\n0.036676 0.165317 0.503764 H\n0.463324 0.165317 0.003764 H\n0.963324 0.834683 0.496236 H\n0.672490 0.183675 0.764925 H\n0.172490 0.816325 0.735075 H\n0.327510 0.816325 0.235075 H\n0.827510 0.183675 0.264925 H\n0.565957 0.413115 0.839691 H\n0.065957 0.586885 0.660309 H\n0.434043 0.586885 0.160309 H\n0.934043 0.413115 0.339691 H\n0.789790 0.465476 0.627747 O\n0.289790 0.534524 0.872253 O\n0.210210 0.534524 0.372253 O\n0.710210 0.465476 0.127747 O\n0.028452 0.484565 0.721063 O\n0.528452 0.515435 0.778937 O\n0.971548 0.515435 0.278937 O\n0.471548 0.484565 0.221063 O\n0.847009 0.694392 0.821387 O\n0.347009 0.305608 0.678613 O\n0.152991 0.305608 0.178613 O\n0.652991 0.694392 0.321387 O\n0.865536 0.357907 0.919071 O\n0.365536 0.642093 0.580929 O\n0.134464 0.642093 0.080929 O\n0.634464 0.357907 0.419071 O\n0.630331 0.234474 0.929938 O\n0.130331 0.765526 0.570062 O\n0.369669 0.765526 0.070062 O\n0.869669 0.234474 0.429938 O\n0.789220 0.144669 0.163576 O\n0.289220 0.855331 0.336424 O\n0.210780 0.855331 0.836424 O\n0.710780 0.144669 0.663576 O\n0.618032 0.879169 0.957504 O\n0.118032 0.120831 0.542496 O\n0.381968 0.120831 0.042496 O\n0.881968 0.879169 0.457504 O\n0.926537 0.002337 0.830800 O\n0.426537 0.997663 0.669200 O\n0.073463 0.997663 0.169200 O\n0.573463 0.002337 0.330800 O\n","nsites":68,"nelements":4,"elements":["Ba","Si","H","O"],"chemical_system":"Ba-H-O-Si","density":2.9935131968783795,"density_atomic":0.09356545686355755,"volume":726.763939165727,"volume_molar":6.436286383747184,"formula_full":"Ba4 Si8 H24 O32","formula_reduced":"BaSi2(H3O4)2","formula_anonymous":"AB2C6D8","energy":-443.49510996,"energy_per_atom":-6.52198691117647,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-421.51110996,"band_gap":5.0579,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":2e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:37:35.120000Z","spacegroup":14},{"id":"mp-1191643","created_at":"2022-09-04T14:46:24.669711Z","structure_string":"Ba8 Cu1 Si16\n1.0\n0.320487 -7.201307 0.107756\n-8.422213 0.429154 -0.095294\n-0.119577 0.172025 -12.162838\nBa Cu Si\n8 1 16\ndirect\n0.768786 0.016138 0.299331 Ba\n0.264094 0.510863 0.788597 Ba\n0.271025 0.002612 0.706703 Ba\n0.676010 0.518725 0.231243 Ba\n0.742276 0.196330 0.906433 Ba\n0.223604 0.336561 0.427065 Ba\n0.293710 0.771798 0.094647 Ba\n0.711719 0.705677 0.579533 Ba\n0.030244 0.968878 0.976555 Cu\n0.717974 0.568706 0.913624 Si\n0.231065 0.945417 0.428793 Si\n0.272164 0.383866 0.074926 Si\n0.692497 0.099614 0.578395 Si\n0.757498 0.808712 0.026967 Si\n0.218381 0.692047 0.532946 Si\n0.284246 0.164430 0.948708 Si\n0.729394 0.336263 0.475235 Si\n0.916308 0.790235 0.840147 Si\n0.056719 0.700729 0.360326 Si\n0.461117 0.170846 0.126047 Si\n0.574861 0.325766 0.646001 Si\n0.133986 0.111058 0.135769 Si\n0.992766 0.333820 0.179364 Si\n0.586803 0.813586 0.855035 Si\n0.392752 0.727324 0.367611 Si\n","nsites":25,"nelements":3,"elements":["Ba","Cu","Si"],"chemical_system":"Ba-Cu-Si","density":3.6369320795402085,"density_atomic":0.03397720943004405,"volume":735.7873238964106,"volume_molar":17.724059335711583,"formula_full":"Ba8 Cu1 Si16","formula_reduced":"Ba8CuSi16","formula_anonymous":"AB8C16","energy":-109.54615331000002,"energy_per_atom":-4.381846132400001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-110.68215331,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0059521,"is_theoretical":true,"updated_at":"2021-11-28T01:37:40.525000Z","spacegroup":1},{"id":"mp-5167","created_at":"2022-09-04T14:46:24.676265Z","structure_string":"Sm1 Ni2 Ge2\n1.0\n-2.057064 2.057064 4.920594\n2.057064 -2.057064 4.920594\n2.057064 2.057064 -4.920594\nSm Ni Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.630453 0.630453 0.000000 Ge\n0.369547 0.369547 0.000000 Ge\n","nsites":5,"nelements":3,"elements":["Sm","Ni","Ge"],"chemical_system":"Ge-Ni-Sm","density":8.234821663733687,"density_atomic":0.06003394357174805,"volume":83.2862161391143,"volume_molar":10.031226339150603,"formula_full":"Sm1 Ni2 Ge2","formula_reduced":"Sm(NiGe)2","formula_anonymous":"AB2C2","energy":-29.01327361,"energy_per_atom":-5.802654722,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.01327361,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010615,"is_theoretical":false,"updated_at":"2021-11-28T01:37:37.836000Z","spacegroup":139}]}