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0.255128 Hg\n0.449969 0.550031 0.755128 Hg\n0.989410 0.010590 0.011537 Sb\n0.010590 0.989410 0.511537 Sb\n0.636129 0.363871 0.459469 Te\n0.376905 0.623095 0.540455 Te\n0.623095 0.376905 0.040455 Te\n0.363871 0.636129 0.959469 Te\n0.934410 0.065590 0.242111 Te\n0.065590 0.934410 0.742111 Te\n","nsites":12,"nelements":4,"elements":["Rb","Hg","Sb","Te"],"chemical_system":"Hg-Rb-Sb-Te","density":5.894123496652014,"density_atomic":0.026937345477874297,"volume":445.47819345660906,"volume_molar":22.35610322088509,"formula_full":"Rb2 Hg2 Sb2 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10.386594 0.000000\n0.000000 7.277205 10.625481\nRb Ho P O\n4 4 16 48\ndirect\n0.433620 0.266833 0.542256 Rb\n0.066380 0.266833 0.042256 Rb\n0.566380 0.733167 0.457744 Rb\n0.933620 0.733167 0.957744 Rb\n0.726912 0.183467 0.818126 Ho\n0.773088 0.183467 0.318126 Ho\n0.273088 0.816533 0.181874 Ho\n0.226912 0.816533 0.681874 Ho\n0.328770 0.174841 0.865668 P\n0.171230 0.174841 0.365668 P\n0.671230 0.825159 0.134332 P\n0.828770 0.825159 0.634332 P\n0.591877 0.888626 0.758354 P\n0.908123 0.888626 0.258354 P\n0.408123 0.111374 0.241646 P\n0.091877 0.111374 0.741646 P\n0.525025 0.525208 0.221462 P\n0.974975 0.525208 0.721462 P\n0.474975 0.474792 0.778538 P\n0.025025 0.474792 0.278538 P\n0.889617 0.301515 0.523478 P\n0.610383 0.301515 0.023478 P\n0.110383 0.698485 0.476522 P\n0.389617 0.698485 0.976522 P\n0.256595 0.070434 0.992040 O\n0.243405 0.070434 0.492040 O\n0.743405 0.929566 0.007960 O\n0.756595 0.929566 0.507960 O\n0.208843 0.221297 0.754678 O\n0.291157 0.221297 0.254678 O\n0.791157 0.778703 0.245322 O\n0.708843 0.778703 0.745322 O\n0.472101 0.131606 0.832936 O\n0.027899 0.131606 0.332936 O\n0.527899 0.868394 0.167064 O\n0.972101 0.868394 0.667064 O\n0.458520 0.924302 0.675626 O\n0.041480 0.924302 0.175626 O\n0.541480 0.075698 0.324374 O\n0.958520 0.075698 0.824374 O\n0.676984 0.020513 0.746047 O\n0.823016 0.020513 0.246047 O\n0.323016 0.979487 0.253953 O\n0.176984 0.979487 0.753953 O\n0.414262 0.571627 0.282720 O\n0.085738 0.571627 0.782720 O\n0.585738 0.428373 0.717280 O\n0.914262 0.428373 0.217280 O\n0.657411 0.654923 0.157408 O\n0.842589 0.654923 0.657408 O\n0.342589 0.345077 0.842592 O\n0.157411 0.345077 0.342592 O\n0.832626 0.202050 0.481947 O\n0.667374 0.202050 0.981947 O\n0.167374 0.797950 0.518053 O\n0.332626 0.797950 0.018053 O\n0.787676 0.337125 0.596861 O\n0.712324 0.337125 0.096861 O\n0.212324 0.662875 0.403139 O\n0.287676 0.662875 0.903139 O\n0.952062 0.462035 0.399752 O\n0.547938 0.462035 0.899752 O\n0.047938 0.537965 0.600248 O\n0.452062 0.537965 0.100248 O\n0.905796 0.366569 0.801700 O\n0.594204 0.366569 0.301700 O\n0.094204 0.633431 0.198300 O\n0.405796 0.633431 0.698300 O\n0.047747 0.234425 0.596385 O\n0.452253 0.234425 0.096385 O\n0.952253 0.765575 0.403615 O\n0.547747 0.765575 0.903615 O\n","nsites":72,"nelements":4,"elements":["Rb","Ho","P","O"],"chemical_system":"Ho-O-P-Rb","density":3.804936561911484,"density_atomic":0.07283414520332229,"volume":988.5473331087541,"volume_molar":8.268293316532672,"formula_full":"Rb4 Ho4 P16 O48","formula_reduced":"RbHo(PO3)4","formula_anonymous":"ABC4D12","energy":-556.74020409,"energy_per_atom":-7.732502834583333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-523.76420409,"band_gap":5.5468,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001466,"is_theoretical":false,"updated_at":"2021-11-28T01:34:30.793000Z","spacegroup":14},{"id":"mp-1209402","created_at":"2022-09-04T14:44:57.636083Z","structure_string":"Rb3 Ho1 P2 O8\n1.0\n2.880890 -4.989848 0.000000\n2.880890 4.989848 0.000000\n0.000000 0.000000 8.073394\nRb Ho P O\n3 1 2 8\ndirect\n0.333333 0.666667 0.741765 Rb\n0.666667 0.333333 0.258235 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Ho\n0.333333 0.666667 0.273409 P\n0.666667 0.333333 0.726591 P\n0.333333 0.666667 0.085264 O\n0.666667 0.333333 0.914736 O\n0.186059 0.813941 0.341758 O\n0.813941 0.186059 0.658242 O\n0.186059 0.372119 0.341758 O\n0.813941 0.627881 0.658242 O\n0.627881 0.813941 0.341758 O\n0.372119 0.186059 0.658242 O\n","nsites":14,"nelements":4,"elements":["Rb","Ho","P","O"],"chemical_system":"Ho-O-P-Rb","density":4.3730719414908785,"density_atomic":0.060315356618112444,"volume":232.11335860353446,"volume_molar":9.98442369847744,"formula_full":"Rb3 Ho1 P2 O8","formula_reduced":"Rb3Ho(PO4)2","formula_anonymous":"AB2C3D8","energy":-99.46731142,"energy_per_atom":-7.1048079585714285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.97131142,"band_gap":4.7368,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.14e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:47.672000Z","spacegroup":164}]}