{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=10139","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=10137","results":[{"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-774893","created_at":"2022-09-04T14:46:24.580896Z","structure_string":"Nb1 V3 Cr2 P6 O24\n1.0\n8.657020 -0.013936 -0.009837\n4.309313 -7.500032 0.000000\n4.309313 -2.512010 -7.066844\nNb V Cr P O\n1 3 2 6 24\ndirect\n0.570887 0.143038 0.143038 Nb\n0.071107 0.642964 0.642964 V\n0.433565 0.855479 0.855479 V\n0.930586 0.356471 0.356471 V\n0.009815 0.996728 0.996728 Cr\n0.501311 0.499563 0.499563 Cr\n0.242680 0.252860 0.549234 P\n0.242680 0.955226 0.252860 P\n0.242680 0.549234 0.955226 P\n0.751855 0.464449 0.041076 P\n0.751855 0.041076 0.742620 P\n0.751855 0.742620 0.464449 P\n0.068572 0.116710 0.308061 O\n0.068572 0.506657 0.116710 O\n0.068572 0.308061 0.506657 O\n0.236680 0.085813 0.739328 O\n0.424929 0.191167 0.385775 O\n0.266299 0.414809 0.558128 O\n0.236680 0.938179 0.085813 O\n0.266299 0.760762 0.414809 O\n0.571106 0.618520 0.003858 O\n0.266299 0.558128 0.760762 O\n0.765503 0.265179 0.060720 O\n0.571106 0.003858 0.806515 O\n0.424929 0.998129 0.191167 O\n0.236680 0.739328 0.938179 O\n0.735329 0.441944 0.238864 O\n0.424929 0.385775 0.998129 O\n0.735329 0.238864 0.583863 O\n0.765503 0.060720 0.908598 O\n0.735329 0.583863 0.441944 O\n0.571106 0.806515 0.618520 O\n0.765503 0.908598 0.265179 O\n0.931292 0.691133 0.496632 O\n0.931292 0.496632 0.880944 O\n0.931292 0.880944 0.691133 O\n","nsites":36,"nelements":5,"elements":["Nb","V","Cr","P","O"],"chemical_system":"Cr-Nb-O-P-V","density":3.3325006830819253,"density_atomic":0.07856836405210293,"volume":458.1996893320376,"volume_molar":7.664841737071669,"formula_full":"Nb1 V3 Cr2 P6 O24","formula_reduced":"NbV3Cr2(PO4)6","formula_anonymous":"AB2C3D6E24","energy":-302.49838982,"energy_per_atom":-8.402733050555556,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-276.91238982,"band_gap":0.0091000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":13.9997871,"is_theoretical":true,"updated_at":"2021-11-28T01:37:33.765000Z","spacegroup":146},{"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-1225352","created_at":"2022-09-04T14:46:24.769879Z","structure_string":"Ga3 Fe4 Co8 Si1\n1.0\n13.211041 -2.016213 0.000000\n13.211041 2.016213 0.000000\n12.903336 0.000000 3.478600\nGa Fe Co Si\n3 4 8 1\ndirect\n0.750678 0.750678 0.750678 Ga\n0.000000 0.000000 0.000000 Ga\n0.249322 0.249322 0.249322 Ga\n0.624706 0.624706 0.624706 Fe\n0.375294 0.375294 0.375294 Fe\n0.875108 0.875108 0.875108 Fe\n0.124892 0.124892 0.124892 Fe\n0.937153 0.937153 0.937153 Co\n0.687722 0.687722 0.687722 Co\n0.185958 0.185958 0.185958 Co\n0.439671 0.439671 0.439671 Co\n0.560329 0.560329 0.560329 Co\n0.312278 0.312278 0.312278 Co\n0.814042 0.814042 0.814042 Co\n0.062847 0.062847 0.062847 Co\n0.500000 0.500000 0.500000 Si\n","nsites":16,"nelements":4,"elements":["Ga","Fe","Co","Si"],"chemical_system":"Co-Fe-Ga-Si","density":8.352254017897952,"density_atomic":0.08633999980892883,"volume":185.31387578652004,"volume_molar":6.974914029797372,"formula_full":"Ga3 Fe4 Co8 Si1","formula_reduced":"Ga3Fe4Co8Si","formula_anonymous":"AB3C4D8","energy":-109.67218745,"energy_per_atom":-6.854511715625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-109.74318745,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.9997751,"is_theoretical":true,"updated_at":"2021-11-28T01:37:38.450000Z","spacegroup":166},{"id":"mp-1653181","created_at":"2022-09-04T14:46:24.599084Z","structure_string":"Na12 Co4 B4 As4 O28\n1.0\n0.067553 0.001715 5.255073\n9.049921 0.001485 0.143250\n0.002113 13.856057 0.002915\nNa Co B As O\n12 4 4 4 28\ndirect\n0.758843 0.079719 0.127536 Na\n0.766519 0.079507 0.622389 Na\n0.241370 0.919914 0.372385 Na\n0.233603 0.920536 0.877636 Na\n0.253654 0.254449 0.004089 Na\n0.242045 0.246218 0.498468 Na\n0.242971 0.246329 0.250768 Na\n0.254130 0.254339 0.746918 Na\n0.756722 0.753428 0.249295 Na\n0.745839 0.745693 0.753116 Na\n0.746263 0.745602 0.495886 Na\n0.758253 0.753586 0.001456 Na\n0.786364 0.328615 0.875427 Co\n0.213527 0.671363 0.624659 Co\n0.772253 0.334006 0.374797 Co\n0.228024 0.666137 0.125189 Co\n0.738511 0.062301 0.375357 B\n0.723935 0.067781 0.874620 B\n0.261819 0.937795 0.124703 B\n0.276106 0.932211 0.625374 B\n0.714883 0.421227 0.126081 As\n0.714721 0.424239 0.623805 As\n0.284817 0.578747 0.373879 As\n0.285296 0.575818 0.876246 As\n0.308069 0.083195 0.125125 O\n0.308792 0.078622 0.624997 O\n0.691706 0.916971 0.374884 O\n0.691384 0.921316 0.875031 O\n0.975686 0.125807 0.375416 O\n0.959648 0.136268 0.874059 O\n0.024809 0.874035 0.124824 O\n0.040352 0.863758 0.625981 O\n0.540550 0.172915 0.375910 O\n0.530735 0.177942 0.874794 O\n0.460017 0.827370 0.124001 O\n0.469191 0.821964 0.625153 O\n0.389097 0.461506 0.124548 O\n0.390953 0.471325 0.624786 O\n0.610573 0.538652 0.375269 O\n0.609019 0.528679 0.875188 O\n0.129933 0.414372 0.374760 O\n0.125551 0.412756 0.875317 O\n0.869949 0.585537 0.125189 O\n0.874347 0.587360 0.624764 O\n0.789039 0.306925 0.030622 O\n0.784285 0.313218 0.525483 O\n0.785629 0.311969 0.225062 O\n0.785020 0.308368 0.719029 O\n0.213842 0.687955 0.274884 O\n0.214923 0.691637 0.780996 O\n0.210354 0.692972 0.469339 O\n0.216082 0.687045 0.974513 O\n","nsites":52,"nelements":5,"elements":["Na","Co","B","As","O"],"chemical_system":"As-B-Co-Na-O","density":3.2829171114909315,"density_atomic":0.07892753856646251,"volume":658.8321509128574,"volume_molar":7.629961442328441,"formula_full":"Na12 Co4 B4 As4 O28","formula_reduced":"Na3CoBAsO7","formula_anonymous":"ABCD3E7","energy":-332.40363042,"energy_per_atom":-6.392377508076923,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-306.61563042,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.8038869,"is_theoretical":true,"updated_at":"2021-11-28T01:37:33.997000Z","spacegroup":2},{"id":"mp-1040893","created_at":"2022-09-04T14:46:24.599381Z","structure_string":"Zn4 Cr8 P8 O36\n1.0\n6.288390 0.000000 0.000000\n0.000000 7.391181 0.000000\n0.000000 0.000000 14.112208\nZn Cr P O\n4 8 8 36\ndirect\n0.750000 0.933566 0.776209 Zn\n0.750000 0.566434 0.276209 Zn\n0.250000 0.433566 0.723791 Zn\n0.250000 0.066434 0.223791 Zn\n0.750000 0.356713 0.877878 Cr\n0.250000 0.643287 0.122122 Cr\n0.250000 0.856713 0.622122 Cr\n0.750000 0.143287 0.377878 Cr\n0.500000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.250000 0.363491 0.928089 P\n0.750000 0.636509 0.071911 P\n0.750000 0.863491 0.571911 P\n0.250000 0.136509 0.428089 P\n0.750000 0.387998 0.693434 P\n0.750000 0.112002 0.193434 P\n0.250000 0.887998 0.806566 P\n0.250000 0.612002 0.306566 P\n0.039296 0.606696 0.366182 O\n0.539296 0.393304 0.633818 O\n0.960704 0.106696 0.133818 O\n0.460704 0.893304 0.866182 O\n0.960704 0.393304 0.633818 O\n0.460704 0.606696 0.366182 O\n0.039296 0.893304 0.866182 O\n0.539296 0.106696 0.133818 O\n0.250000 0.329263 0.475780 O\n0.750000 0.670737 0.524220 O\n0.750000 0.829263 0.024220 O\n0.250000 0.170737 0.975780 O\n0.750000 0.129726 0.947094 O\n0.250000 0.870274 0.052906 O\n0.250000 0.629726 0.552906 O\n0.750000 0.370274 0.447094 O\n0.750000 0.210311 0.754577 O\n0.250000 0.789689 0.245423 O\n0.250000 0.710311 0.745423 O\n0.750000 0.289689 0.254577 O\n0.437915 0.125945 0.357621 O\n0.937915 0.874055 0.642379 O\n0.562085 0.625945 0.142379 O\n0.062085 0.374055 0.857621 O\n0.562085 0.874055 0.642379 O\n0.062085 0.125945 0.357621 O\n0.437915 0.374055 0.857621 O\n0.937915 0.625945 0.142379 O\n0.750000 0.492667 0.996984 O\n0.250000 0.041609 0.732474 O\n0.250000 0.458391 0.232474 O\n0.750000 0.541609 0.767526 O\n0.750000 0.007333 0.496984 O\n0.250000 0.992667 0.503016 O\n0.250000 0.507333 0.003016 O\n0.750000 0.958391 0.267526 O\n","nsites":56,"nelements":4,"elements":["Zn","Cr","P","O"],"chemical_system":"Cr-O-P-Zn","density":3.8009268323641474,"density_atomic":0.08537677621039884,"volume":655.9160756081492,"volume_molar":7.05360523939121,"formula_full":"Zn4 Cr8 P8 O36","formula_reduced":"ZnCr2P2O9","formula_anonymous":"AB2C2D9","energy":-440.98460747,"energy_per_atom":-7.874725133392857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-400.26060747,"band_gap":2.0125,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.0003153,"is_theoretical":true,"updated_at":"2021-11-28T01:37:31.370000Z","spacegroup":62},{"id":"mp-21338","created_at":"2022-09-04T14:46:24.604040Z","structure_string":"U1 Mo6 S8\n1.0\n4.624873 -4.531279 0.000000\n4.624873 4.531279 0.000000\n0.185295 0.000000 6.472063\nU Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 U\n0.778147 0.437944 0.579009 Mo\n0.579009 0.778147 0.437944 Mo\n0.437944 0.579009 0.778147 Mo\n0.221853 0.562056 0.420991 Mo\n0.420991 0.221853 0.562056 Mo\n0.562056 0.420991 0.221853 Mo\n0.760446 0.760446 0.760446 S\n0.239554 0.239554 0.239554 S\n0.633227 0.242548 0.872300 S\n0.872300 0.633227 0.242548 S\n0.242548 0.872300 0.633227 S\n0.366773 0.757452 0.127700 S\n0.127700 0.366773 0.757452 S\n0.757452 0.127700 0.366773 S\n","nsites":15,"nelements":3,"elements":["U","Mo","S"],"chemical_system":"Mo-S-U","density":6.551129690485563,"density_atomic":0.05529653425405942,"volume":271.264740229155,"volume_molar":10.890629659232042,"formula_full":"U1 Mo6 S8","formula_reduced":"U(Mo3S4)2","formula_anonymous":"AB6C8","energy":-125.52563311000002,"energy_per_atom":-8.368375540666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-121.50163311,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:36.882000Z","spacegroup":148},{"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}]}