{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=10226","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=10224","results":[{"id":"mp-1110585","created_at":"2022-09-04T14:39:46.933816Z","structure_string":"Rb2 Pd1 Au1 F6\n1.0\n0.000000 4.445493 4.445493\n4.445493 0.000000 4.445493\n4.445493 4.445493 0.000000\nRb Pd Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Au\n0.238216 0.238216 0.761784 F\n0.238216 0.761784 0.761784 F\n0.761784 0.761784 0.238216 F\n0.238216 0.761784 0.238216 F\n0.761784 0.238216 0.761784 F\n0.761784 0.238216 0.238216 F\n","nsites":10,"nelements":4,"elements":["Rb","Pd","Au","F"],"chemical_system":"Au-F-Pd-Rb","density":5.559906020769162,"density_atomic":0.05691283401474942,"volume":175.70729297030647,"volume_molar":10.581340508257439,"formula_full":"Rb2 Pd1 Au1 F6","formula_reduced":"Rb2PdAuF6","formula_anonymous":"ABC2D6","energy":-42.18414631,"energy_per_atom":-4.218414631,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.41214631,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0019693,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.604000Z","spacegroup":225},{"id":"mp-1147545","created_at":"2022-09-04T14:45:40.987515Z","structure_string":"Rb2 Pd2 C8 Br2\n1.0\n-3.722410 3.722410 5.389970\n3.722410 -3.722410 5.389970\n3.722410 3.722410 -5.389970\nRb Pd C Br\n2 2 8 2\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.000000 Pd\n0.190384 0.190384 0.380767 C\n0.809617 0.809616 0.619233 C\n0.190384 0.809616 0.000000 C\n0.809616 0.190384 0.000000 C\n0.690610 0.690610 0.381220 C\n0.309390 0.309390 0.618780 C\n0.690610 0.309390 0.000000 C\n0.309390 0.690610 0.000000 C\n0.743232 0.743232 0.000000 Br\n0.256768 0.256768 0.000000 Br\n","nsites":14,"nelements":4,"elements":["Rb","Pd","C","Br"],"chemical_system":"Br-C-Pd-Rb","density":3.555574523437003,"density_atomic":0.04686334495750303,"volume":298.740945886291,"volume_molar":12.85042876359134,"formula_full":"Rb2 Pd2 C8 Br2","formula_reduced":"RbPdC4Br","formula_anonymous":"ABCD4","energy":-80.75651634,"energy_per_atom":-5.768322595714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-79.68851634,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.0863427,"is_theoretical":true,"updated_at":"2021-11-28T01:37:17.123000Z","spacegroup":139},{"id":"mp-567948","created_at":"2022-09-04T14:46:54.459877Z","structure_string":"Rb2 Pd1 I2 Br4\n1.0\n-4.265491 4.265491 4.509545\n4.265491 -4.265491 4.509545\n4.265491 4.265491 -4.509545\nRb Pd I Br\n2 1 2 4\ndirect\n0.250000 0.750000 0.500000 Rb\n0.750000 0.250000 0.500000 Rb\n0.000000 0.000000 0.000000 Pd\n0.339796 0.339796 0.000000 I\n0.660204 0.660204 0.000000 I\n0.794287 0.205713 0.000000 Br\n0.794287 0.794287 0.588573 Br\n0.205713 0.794287 0.000000 Br\n0.205713 0.205713 0.411427 Br\n","nsites":9,"nelements":4,"elements":["Rb","Pd","I","Br"],"chemical_system":"Br-I-Pd-Rb","density":4.3046304045385355,"density_atomic":0.027422796015502127,"volume":328.1941051857839,"volume_molar":21.96034553367818,"formula_full":"Rb2 Pd1 I2 Br4","formula_reduced":"Rb2Pd(IBr2)2","formula_anonymous":"AB2C2D4","energy":-27.8643025,"energy_per_atom":-3.0960336111111113,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.9703025,"band_gap":0.5178999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000187,"is_theoretical":false,"updated_at":"2021-11-28T01:37:41.495000Z","spacegroup":139},{"id":"mp-555122","created_at":"2022-09-04T14:41:59.261012Z","structure_string":"Rb4 Pd2 N8 O24\n1.0\n8.171639 0.000000 0.000000\n0.000000 8.037077 0.000000\n0.000000 1.786456 9.814146\nRb Pd N O\n4 2 8 24\ndirect\n0.570527 0.340761 0.321980 Rb\n0.429473 0.659239 0.678020 Rb\n0.070527 0.659239 0.178020 Rb\n0.929473 0.340761 0.821980 Rb\n0.000000 0.000000 0.500000 Pd\n0.500000 0.000000 0.000000 Pd\n0.453852 0.834401 0.283520 N\n0.546148 0.165599 0.716480 N\n0.154937 0.323794 0.518431 N\n0.345063 0.323794 0.018431 N\n0.654937 0.676206 0.981569 N\n0.845063 0.676206 0.481569 N\n0.046148 0.834401 0.783520 N\n0.953852 0.165599 0.216480 N\n0.178171 0.447264 0.576273 O\n0.678171 0.552736 0.923727 O\n0.106045 0.842034 0.658548 O\n0.784176 0.691702 0.592914 O\n0.715824 0.691702 0.092914 O\n0.893955 0.157966 0.341452 O\n0.821829 0.552736 0.423727 O\n0.940819 0.936128 0.806628 O\n0.284176 0.308298 0.907086 O\n0.604620 0.281830 0.629029 O\n0.442850 0.205325 0.084089 O\n0.440819 0.063872 0.693372 O\n0.942850 0.794675 0.415911 O\n0.606045 0.157966 0.841452 O\n0.557150 0.794675 0.915911 O\n0.057150 0.205325 0.584089 O\n0.104620 0.718170 0.870971 O\n0.395380 0.718170 0.370971 O\n0.895380 0.281830 0.129029 O\n0.059181 0.063872 0.193372 O\n0.559181 0.936128 0.306628 O\n0.215824 0.308298 0.407086 O\n0.321829 0.447264 0.076273 O\n0.393955 0.842034 0.158548 O\n","nsites":38,"nelements":4,"elements":["Rb","Pd","N","O"],"chemical_system":"N-O-Pd-Rb","density":2.7070036750700406,"density_atomic":0.0589554258214151,"volume":644.5547542156297,"volume_molar":10.214735414246649,"formula_full":"Rb4 Pd2 N8 O24","formula_reduced":"Rb2Pd(NO3)4","formula_anonymous":"AB2C4D12","energy":-242.83111003,"energy_per_atom":-6.390292369210526,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-226.34311003,"band_gap":1.7806000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0025316,"is_theoretical":false,"updated_at":"2021-11-28T01:35:32.281000Z","spacegroup":14},{"id":"mp-1195322","created_at":"2022-09-04T14:45:19.012306Z","structure_string":"Rb2 Pd1 S8 O26\n1.0\n-7.722498 0.000000 0.000000\n2.637395 8.456694 0.000000\n-0.177144 -3.013149 -9.042874\nRb Pd S O\n2 1 8 26\ndirect\n0.132072 0.269829 0.884432 Rb\n0.867928 0.730171 0.115568 Rb\n0.500000 0.500000 0.500000 Pd\n0.670042 0.360055 0.708218 S\n0.329958 0.639945 0.291782 S\n0.875725 0.191129 0.482936 S\n0.124275 0.808871 0.517064 S\n0.388548 0.151609 0.225698 S\n0.611452 0.848391 0.774302 S\n0.787936 0.222395 0.196752 S\n0.212064 0.777605 0.803248 S\n0.700263 0.186375 0.572483 O\n0.299737 0.813625 0.427517 O\n0.700080 0.484556 0.626679 O\n0.299920 0.515444 0.373321 O\n0.814147 0.409753 0.821892 O\n0.185853 0.590247 0.178108 O\n0.847802 0.299331 0.376103 O\n0.152198 0.700669 0.623897 O\n0.037408 0.296197 0.574510 O\n0.962592 0.703803 0.425490 O\n0.485647 0.290828 0.736829 O\n0.514353 0.709172 0.263171 O\n0.853545 0.023412 0.395318 O\n0.146455 0.976588 0.604682 O\n0.423703 0.247104 0.386495 O\n0.576297 0.752896 0.613505 O\n0.594433 0.094592 0.187159 O\n0.405567 0.905408 0.812841 O\n0.783036 0.366424 0.161449 O\n0.216964 0.633576 0.838551 O\n0.905795 0.128375 0.128241 O\n0.094205 0.871625 0.871759 O\n0.380213 0.244692 0.127920 O\n0.619787 0.755308 0.872080 O\n0.266286 0.986762 0.198713 O\n0.733714 0.013238 0.801287 O\n","nsites":37,"nelements":4,"elements":["Rb","Pd","S","O"],"chemical_system":"O-Pd-Rb-S","density":2.6708149370756815,"density_atomic":0.06265227186321436,"volume":590.561186364962,"volume_molar":9.61200700454701,"formula_full":"Rb2 Pd1 S8 O26","formula_reduced":"Rb2Pd(S4O13)2","formula_anonymous":"AB2C8D26","energy":-233.14674913,"energy_per_atom":-6.301263489999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-215.28474913,"band_gap":4.9124,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0042285,"is_theoretical":false,"updated_at":"2021-11-28T01:36:55.937000Z","spacegroup":2},{"id":"mp-1110818","created_at":"2022-09-04T14:46:23.865007Z","structure_string":"Rb2 Pr1 Ag1 Br6\n1.0\n0.000000 5.767839 5.767839\n5.767839 0.000000 5.767839\n5.767839 5.767839 0.000000\nRb Pr Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ag\n0.751368 0.248632 0.248632 Br\n0.248632 0.248632 0.751368 Br\n0.248632 0.751368 0.751368 Br\n0.248632 0.751368 0.248632 Br\n0.751368 0.248632 0.751368 Br\n0.751368 0.751368 0.248632 Br\n","nsites":10,"nelements":4,"elements":["Rb","Pr","Ag","Br"],"chemical_system":"Ag-Br-Pr-Rb","density":3.8904947616341086,"density_atomic":0.026057372210938682,"volume":383.7685519110817,"volume_molar":23.111082388699007,"formula_full":"Rb2 Pr1 Ag1 Br6","formula_reduced":"Rb2PrAgBr6","formula_anonymous":"ABC2D6","energy":-37.9021585,"energy_per_atom":-3.79021585,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.6981585,"band_gap":3.2758,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010273,"is_theoretical":true,"updated_at":"2021-11-28T01:37:29.406000Z","spacegroup":225},{"id":"mp-1110805","created_at":"2022-09-04T14:40:33.054329Z","structure_string":"Rb2 Pr1 Ag1 Cl6\n1.0\n0.000000 5.491889 5.491889\n5.491889 0.000000 5.491889\n5.491889 5.491889 0.000000\nRb Pr Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ag\n0.749933 0.250067 0.250067 Cl\n0.250067 0.250067 0.749933 Cl\n0.250067 0.749933 0.749933 Cl\n0.250067 0.749933 0.250067 Cl\n0.749933 0.250067 0.749933 Cl\n0.749933 0.749933 0.250067 Cl\n","nsites":10,"nelements":4,"elements":["Rb","Pr","Ag","Cl"],"chemical_system":"Ag-Cl-Pr-Rb","density":3.1700487028013504,"density_atomic":0.030185943287306432,"volume":331.2800234473748,"volume_molar":19.950149321761916,"formula_full":"Rb2 Pr1 Ag1 Cl6","formula_reduced":"Rb2PrAgCl6","formula_anonymous":"ABC2D6","energy":-42.15552182,"energy_per_atom":-4.215552182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.47152182,"band_gap":3.6461,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004191,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.879000Z","spacegroup":225},{"id":"mp-1110788","created_at":"2022-09-04T14:39:09.672954Z","structure_string":"Rb2 Pr1 Ag1 F6\n1.0\n0.000000 4.756180 4.756180\n4.756180 0.000000 4.756180\n4.756180 4.756180 0.000000\nRb Pr Ag 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 Pr\n0.500000 0.500000 0.500000 Ag\n0.758910 0.758910 0.241090 F\n0.758910 0.241090 0.241090 F\n0.241090 0.241090 0.758910 F\n0.758910 0.241090 0.758910 F\n0.241090 0.758910 0.241090 F\n0.241090 0.758910 0.758910 F\n","nsites":10,"nelements":4,"elements":["Rb","Pr","Ag","F"],"chemical_system":"Ag-F-Pr-Rb","density":4.118537063194807,"density_atomic":0.04647240596249972,"volume":215.181456455458,"volume_molar":12.95853019716579,"formula_full":"Rb2 Pr1 Ag1 F6","formula_reduced":"Rb2PrAgF6","formula_anonymous":"ABC2D6","energy":-52.22022471,"energy_per_atom":-5.222022471,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.448224710000005,"band_gap":2.6788,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011989,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.683000Z","spacegroup":225},{"id":"mp-1110823","created_at":"2022-09-04T14:43:58.671912Z","structure_string":"Rb2 Pr1 Ag1 I6\n1.0\n0.000000 6.163993 6.163993\n6.163993 0.000000 6.163993\n6.163993 6.163993 0.000000\nRb Pr Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ag\n0.753556 0.246444 0.246444 I\n0.246444 0.246444 0.753556 I\n0.246444 0.753556 0.753556 I\n0.246444 0.753556 0.246444 I\n0.753556 0.246444 0.753556 I\n0.753556 0.753556 0.246444 I\n","nsites":10,"nelements":4,"elements":["Rb","Pr","Ag","I"],"chemical_system":"Ag-I-Pr-Rb","density":4.18729378516927,"density_atomic":0.02134929772995741,"volume":468.39948210418015,"volume_molar":28.20767613142474,"formula_full":"Rb2 Pr1 Ag1 I6","formula_reduced":"Rb2PrAgI6","formula_anonymous":"ABC2D6","energy":-32.86002617,"energy_per_atom":-3.286002617,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.58602617,"band_gap":2.5438,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0022416,"is_theoretical":true,"updated_at":"2021-11-28T01:36:12.356000Z","spacegroup":225},{"id":"mp-1113464","created_at":"2022-09-04T14:47:28.538939Z","structure_string":"Rb2 Pr1 Au1 Cl6\n1.0\n0.000000 5.500350 5.500350\n5.500350 0.000000 5.500350\n5.500350 5.500350 0.000000\nRb Pr 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 Pr\n0.500000 0.500000 0.500000 Au\n0.750334 0.249666 0.249666 Cl\n0.249666 0.249666 0.750334 Cl\n0.249666 0.750334 0.750334 Cl\n0.249666 0.750334 0.249666 Cl\n0.750334 0.249666 0.750334 Cl\n0.750334 0.750334 0.249666 Cl\n","nsites":10,"nelements":4,"elements":["Rb","Pr","Au","Cl"],"chemical_system":"Au-Cl-Pr-Rb","density":3.599989262861022,"density_atomic":0.030046855453164083,"volume":332.81352904258574,"volume_molar":20.042499187267996,"formula_full":"Rb2 Pr1 Au1 Cl6","formula_reduced":"Rb2PrAuCl6","formula_anonymous":"ABC2D6","energy":-41.211293690000005,"energy_per_atom":-4.121129369,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.52729369,"band_gap":2.2207,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005578,"is_theoretical":true,"updated_at":"2021-11-28T01:38:08.292000Z","spacegroup":225},{"id":"mp-567940","created_at":"2022-09-04T14:45:12.295591Z","structure_string":"Rb1 Pr6 C2 I12\n1.0\n9.773120 0.000000 0.000000\n2.933908 9.351177 0.000000\n3.186253 2.532892 9.422145\nRb Pr C I\n1 6 2 12\ndirect\n0.500000 0.000000 0.000000 Rb\n0.969215 0.228402 0.589637 Pr\n0.030785 0.771598 0.410363 Pr\n0.108473 0.476375 0.192903 Pr\n0.730338 0.590157 0.476085 Pr\n0.269662 0.409843 0.523915 Pr\n0.891527 0.523625 0.807097 Pr\n0.024082 0.494365 0.429478 C\n0.975918 0.505635 0.570522 C\n0.366264 0.719067 0.429757 I\n0.633736 0.280933 0.570243 I\n0.222841 0.412209 0.856597 I\n0.777159 0.587791 0.143403 I\n0.159696 0.802024 0.077707 I\n0.716927 0.928770 0.354244 I\n0.436076 0.351243 0.219833 I\n0.929937 0.863389 0.709074 I\n0.840304 0.197976 0.922293 I\n0.070063 0.136611 0.290926 I\n0.563924 0.648757 0.780167 I\n0.283073 0.071230 0.645756 I\n","nsites":21,"nelements":4,"elements":["Rb","Pr","C","I"],"chemical_system":"C-I-Pr-Rb","density":4.7781973190804905,"density_atomic":0.024387652747769314,"volume":861.0914800695948,"volume_molar":24.693400477218262,"formula_full":"Rb1 Pr6 C2 I12","formula_reduced":"RbPr6(CI6)2","formula_anonymous":"AB2C6D12","energy":-98.302875,"energy_per_atom":-4.681089285714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.754875,"band_gap":0.1662000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0110176,"is_theoretical":false,"updated_at":"2021-11-28T01:36:53.508000Z","spacegroup":2},{"id":"mp-1210480","created_at":"2022-09-04T14:46:16.969727Z","structure_string":"Rb18 Pr6 Cl36 O12\n1.0\n6.154699 -10.660251 0.000000\n6.154699 10.660251 0.000000\n0.000000 0.000000 16.919105\nRb Pr Cl O\n18 6 36 12\ndirect\n0.666667 0.333333 0.888695 Rb\n0.333333 0.666667 0.111305 Rb\n0.333333 0.666667 0.388695 Rb\n0.666667 0.333333 0.611305 Rb\n0.554842 0.934446 0.882731 Rb\n0.445158 0.065554 0.117269 Rb\n0.379604 0.445158 0.882731 Rb\n0.445158 0.065554 0.382731 Rb\n0.620396 0.554842 0.117269 Rb\n0.554842 0.934446 0.617269 Rb\n0.065554 0.620396 0.882731 Rb\n0.620396 0.554842 0.382731 Rb\n0.934446 0.379604 0.117269 Rb\n0.379604 0.445158 0.617269 Rb\n0.934446 0.379604 0.382731 Rb\n0.065554 0.620396 0.617269 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.970001 0.199140 0.750000 Pr\n0.029999 0.800860 0.250000 Pr\n0.229140 0.029999 0.750000 Pr\n0.770860 0.970001 0.250000 Pr\n0.800860 0.770860 0.750000 Pr\n0.199140 0.229140 0.250000 Pr\n0.826072 0.975481 0.847519 Cl\n0.173928 0.024519 0.152481 Cl\n0.149409 0.173928 0.847519 Cl\n0.173928 0.024519 0.347519 Cl\n0.850591 0.826072 0.152481 Cl\n0.826072 0.975481 0.652481 Cl\n0.024519 0.850591 0.847519 Cl\n0.850591 0.826072 0.347519 Cl\n0.975481 0.149409 0.152481 Cl\n0.149409 0.173928 0.652481 Cl\n0.975481 0.149409 0.347519 Cl\n0.024519 0.850591 0.652481 Cl\n0.578829 0.703384 0.967537 Cl\n0.421171 0.296616 0.032463 Cl\n0.124555 0.421171 0.967537 Cl\n0.421171 0.296616 0.467537 Cl\n0.875445 0.578829 0.032463 Cl\n0.578829 0.703384 0.532463 Cl\n0.296616 0.875445 0.967537 Cl\n0.875445 0.578829 0.467537 Cl\n0.703384 0.124555 0.032463 Cl\n0.124555 0.421171 0.532463 Cl\n0.703384 0.124555 0.467537 Cl\n0.296616 0.875445 0.532463 Cl\n0.728256 0.178861 0.750000 Cl\n0.271744 0.821139 0.250000 Cl\n0.450605 0.271744 0.750000 Cl\n0.549395 0.728256 0.250000 Cl\n0.821139 0.549395 0.750000 Cl\n0.178861 0.450605 0.250000 Cl\n0.534705 0.681245 0.750000 Cl\n0.465295 0.318755 0.250000 Cl\n0.146540 0.465295 0.750000 Cl\n0.853460 0.534705 0.250000 Cl\n0.318755 0.853460 0.750000 Cl\n0.681245 0.146540 0.250000 Cl\n0.980929 0.344514 0.854167 O\n0.019071 0.655486 0.145833 O\n0.363586 0.019071 0.854167 O\n0.019071 0.655486 0.354167 O\n0.636414 0.980929 0.145833 O\n0.980929 0.344514 0.645833 O\n0.655486 0.636414 0.854167 O\n0.636414 0.980929 0.354167 O\n0.344514 0.363586 0.145833 O\n0.363586 0.019071 0.645833 O\n0.344514 0.363586 0.354167 O\n0.655486 0.636414 0.645833 O\n","nsites":72,"nelements":4,"elements":["Rb","Pr","Cl","O"],"chemical_system":"Cl-O-Pr-Rb","density":2.8811945536140247,"density_atomic":0.032430292545356364,"volume":2220.146484935411,"volume_molar":18.56949255569481,"formula_full":"Rb18 Pr6 Cl36 O12","formula_reduced":"Rb3Pr(Cl3O)2","formula_anonymous":"AB2C3D6","energy":-281.07694932000004,"energy_per_atom":-3.9038465183333337,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-272.83294932,"band_gap":1.2152,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.4055479,"is_theoretical":true,"updated_at":"2021-11-28T01:37:28.920000Z","spacegroup":176}]}