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0.500055 0.999982 Cr\n0.999859 0.999989 0.999989 Cr\n0.706565 0.061969 0.101670 H\n0.206533 0.561869 0.101690 H\n0.706578 0.836386 0.101653 H\n0.206554 0.336457 0.101686 H\n0.793453 0.438138 0.898333 H\n0.293390 0.938029 0.898374 H\n0.793468 0.663501 0.898348 H\n0.293411 0.163572 0.898389 H\n0.248485 0.730151 0.752751 C\n0.748496 0.230222 0.752747 C\n0.248455 0.517098 0.752769 C\n0.748468 0.017023 0.752769 C\n0.251564 0.982986 0.247226 C\n0.751599 0.482901 0.247225 C\n0.251523 0.769788 0.247233 C\n0.751552 0.269855 0.247233 C\n0.746612 0.968909 0.062205 O\n0.246897 0.468858 0.062290 O\n0.753051 0.531124 0.937726 O\n0.253278 0.031083 0.937819 O\n0.853716 0.135678 0.341225 O\n0.353845 0.635768 0.341334 O\n0.853747 0.523177 0.341198 O\n0.353868 0.022959 0.341307 O\n0.646233 0.977009 0.658702 O\n0.146326 0.476810 0.658786 O\n0.646225 0.364220 0.658637 O\n0.146317 0.864350 0.658722 O\n0.637723 0.252054 0.138324 O\n0.137810 0.751170 0.138612 O\n0.637752 0.609625 0.138323 O\n0.137811 0.110229 0.138604 O\n0.862173 0.889776 0.861412 O\n0.362259 0.390401 0.861681 O\n0.862164 0.248838 0.861382 O\n0.362245 0.747985 0.861650 O\n","nsites":40,"nelements":5,"elements":["Rb","Cr","H","C","O"],"chemical_system":"C-Cr-H-O-Rb","density":2.2495484992695975,"density_atomic":0.07751553440118186,"volume":516.0255980817973,"volume_molar":7.768946968529423,"formula_full":"Rb2 Cr2 H8 C8 O20","formula_reduced":"RbCrH4(C2O5)2","formula_anonymous":"ABC4D4E10","energy":-287.41949178,"energy_per_atom":-7.1854872945,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-269.68149178,"band_gap":2.8029,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0210331,"is_theoretical":false,"updated_at":"2021-11-28T01:37:10.249000Z","spacegroup":12}]}