--- title: "TET-ADD-20261018-a09_MAB414_turn_1-1b28f301d844" description: "Orb-relaxed Al4 Fe16 B16 boride candidate. CIF SHA256 1b28f301d844fea0172dfa29bfb4ac8792ba063b49551573efa6f7358ac8d121. Unconstrained variable-cell ML relaxation; no DFT. AFLOW novelty, hull stability and magnetic performance remain under review. Derived from published source: . Coordinate source ht" url: "https://ouro.foundation/files/ghost/tet-add-20261018-a09-mab414-turn-1-1b28f301d844" id: "b258c543-cd48-4f35-91ac-32c76c11aed3" type: "file" --- # TET-ADD-20261018-a09_MAB414_turn_1-1b28f301d844 File by @will in #tetragonal-prototype-screening (ghost) · .cif · 5.2 KB · AlFe4B4 - Asset id: `b258c543-cd48-4f35-91ac-32c76c11aed3` - Page: https://ouro.foundation/files/ghost/tet-add-20261018-a09-mab414-turn-1-1b28f301d844 Orb-relaxed Al4 Fe16 B16 boride candidate. CIF SHA256 1b28f301d844fea0172dfa29bfb4ac8792ba063b49551573efa6f7358ac8d121. Unconstrained variable-cell ML relaxation; no DFT. AFLOW novelty, hull stability and magnetic performance remain under review. Derived from published source: . Coordinate source https://doi.org/10.1016/j.jmst.2018.10.006; source SHA256 . Terms: See CIF attribution. Published parent framework; the authored mutation is not an experimentally established material. ## Structure - Formula: AlFe4B4 - Space group: P4_2/nmc (#137) - Lattice: a 2.8956, b 2.8953, c 37.0405 Å; α 90, β 90, γ 90° - Atoms in the cell: 36 - Volume: 310.537 ų - Density: 6.28 g/cm³ ## Contents ```cif # { # "campaign": "additional_framework_goal_20261018", # "id": "a09_MAB414_turn_1", # "parent_cif_sha256": "d030b6172cb58aef07441ab62c62a101bf46ca2f2e3dfb4289d969f236861074", # "GPAC_program_sha256": "0bcb1a88ac2cb03e9466df1ff7dba4b7b06a99ec3bd00742d34164d2129ad1d4", # "published_provenance": { # "source_url": "https://doi.org/10.1016/j.jmst.2018.10.006", # "chemistry_url": "https://doi.org/10.1039/D0TA11026D", # "provenance": "Experimental Cr4AlB4 Table1/abstract coordinates, with Cr mapped to Fe. Fe4AlB4 magnetic chemistry is motivated by Shen et al., not a measured property of the reconnection.", # "spacegroup": 71, # "lattice_A": [ # 2.9343, # 18.8911, # 2.9733 # ], # "asymmetric_elements": [ # "Cr", # "Cr", # "Al", # "B", # "B" # ], # "asymmetric_fractional_coordinates": [ # [ # 0, # 0.2936, # 0 # ], # [ # 0.5, # 0.5859, # 0 # ], # [ # 0, # 0.5, # 0.5 # ], # [ # 0, # 0.3839, # 0.5 # ], # [ # 0.5, # 0.6646, # 0.5 # ] # ], # "uncertainty_note": "Parenthesized standard uncertainties are not appended as extra significant digits." # }, # "protocol_sha256": "162841938d71a36bb6d0ca4ab644cee4f1eb196cb83d7598fa9b04c35e271e8b", # "relaxation": "unconstrained Orb" # } data_image0 _chemical_formula_structural B16Al4Fe16 _chemical_formula_sum "B16 Al4 Fe16" _cell_length_a 2.8956228622867473 _cell_length_b 2.8953122179276107 _cell_length_c 37.040467359517066 _cell_angle_alpha 90.00118508808352 _cell_angle_beta 89.99824071014085 _cell_angle_gamma 89.99620447414377 _space_group_name_H-M_alt "P 1" _space_group_IT_number 1 loop_ _space_group_symop_operation_xyz 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B1 1.0 0.8756519262380114 0.12786591518364665 0.08842682979649533 1.0000 B B2 1.0 0.8715915983887905 0.12556885330096176 0.3384205564267453 1.0000 B B3 1.0 0.8744268731989147 0.6276497803977125 0.18916338711504854 1.0000 B B4 1.0 0.8718537379975451 0.6258376628740203 0.3108025902233088 1.0000 B B5 1.0 0.37745352769839957 0.12452769386136393 0.9391627069468542 1.0000 B B6 1.0 0.3733725583536176 0.12203386605669915 0.5607939069092663 1.0000 B B7 1.0 0.3778757397547957 0.624315037893061 0.9115519674579556 1.0000 B B8 1.0 0.37447413878241903 0.621668409489558 0.6615432737665234 1.0000 B B9 1.0 0.3758759677036618 0.12760969941354897 0.060807571537844454 1.0000 B B10 1.0 0.3713941234232617 0.12440859067597762 0.4391513648973337 1.0000 B B11 1.0 0.37474262041164813 0.6278747205287045 0.16155462339351467 1.0000 B B12 1.0 0.3716203204492228 0.6246651781527692 0.41153965030118683 1.0000 B B13 1.0 0.8775982488536775 0.12334730287873552 0.8384265456191623 1.0000 B B14 1.0 0.8733876489387078 0.12190823926156244 0.5884109027625642 1.0000 B B15 1.0 0.8774868713898835 0.623223818228597 0.8108070735562795 1.0000 B B16 1.0 0.8746066918924165 0.6216302778673554 0.6891538585954163 1.0000 Al Al1 1.0 0.8730969905535707 0.6267432870652235 0.2500071197701255 1.0000 Al Al2 1.0 0.37231967766282026 0.12311429027005676 0.49999253630891755 1.0000 Al Al3 1.0 0.37680363553360674 0.12603252679377552 8.875082234233587e-06 1.0000 Al Al4 1.0 0.8760828134998212 0.6222649436056619 0.7500042410490034 1.0000 Fe Fe1 1.0 0.8749241330266762 0.12784728841378243 0.14722190815155312 1.0000 Fe Fe2 1.0 0.8714456466149332 0.12454886855345246 0.3972085881903921 1.0000 Fe Fe3 1.0 0.8760762019460401 0.6273141109173423 0.04348935034908934 1.0000 Fe Fe4 1.0 0.8716250085885587 0.6241008480934725 0.45649476659708427 1.0000 Fe Fe5 1.0 0.3772085644940739 0.12297257655530626 0.7934906803214484 1.0000 Fe Fe6 1.0 0.3750337542532469 0.12159371721695628 0.7065042682299498 1.0000 Fe Fe7 1.0 0.37771896141777495 0.6233881100004608 0.8527671049593839 1.0000 Fe Fe8 1.0 0.37362489278376715 0.6217500457125176 0.6027541374287863 1.0000 Fe Fe9 1.0 0.37438107179528174 0.12748443718363758 0.2065144693839625 1.0000 Fe Fe10 1.0 0.3719765990354702 0.1258540193022973 0.2934860063178169 1.0000 Fe Fe11 1.0 0.3756192651600256 0.627808473852734 0.10276934858153428 1.0000 Fe Fe12 1.0 0.3716100136244777 0.6254572525041715 0.3527591750458007 1.0000 Fe Fe13 1.0 0.8778727402610946 0.12398493656889989 0.8972193155702597 1.0000 Fe Fe14 1.0 0.8744266409725276 0.12145995644310899 0.6472093622880208 1.0000 Fe Fe15 1.0 0.8775459578620861 0.6246776359018703 0.956507177254771 1.0000 Fe Fe16 1.0 0.8732052371776851 0.6221402652200922 0.543473751931841 1.0000 ``` ## Use it - Download: https://database.ouro.foundation/storage/v1/object/public/public-files/56c30e2b-9868-4313-8927-75459083649d/01a15348-9101-7520-ad14-be686a5614e4.cif?v=1792398628346 - Over Ouro MCP: `download_asset(id="b258c543-cd48-4f35-91ac-32c76c11aed3")` returns the file or a download link. - Find routes that take it: `get_compatible_routes(asset_id="b258c543-cd48-4f35-91ac-32c76c11aed3")`, then pass it as `input_assets={"file": "b258c543-cd48-4f35-91ac-32c76c11aed3"}`. - From Python: `ouro.files.retrieve("b258c543-cd48-4f35-91ac-32c76c11aed3")`