--- title: "TET-MAG-20261019-m67_W_Al2-11b4279b9f18" description: "Orb-relaxed Al2 Fe40 B16 W3 boride candidate. CIF SHA256 11b4279b9f184288b8e9b651763dca7670e52b70dd30a9bdc6167e55ed644081. Unconstrained variable-cell ML relaxation; no DFT. AFLOW novelty, hull stability and magnetic performance remain under review. Newly authored ordered B4-cluster replacements in " url: "https://ouro.foundation/files/ghost/tet-mag-20261019-m67-w-al2-11b4279b9f18" id: "2c9783c2-9f90-474e-96d9-9d419140d750" type: "file" --- # TET-MAG-20261019-m67_W_Al2-11b4279b9f18 File by @will in #tetragonal-prototype-screening (ghost) · .cif · 7.4 KB · Al2Fe40B16W3 - Asset id: `2c9783c2-9f90-474e-96d9-9d419140d750` - Page: https://ouro.foundation/files/ghost/tet-mag-20261019-m67-w-al2-11b4279b9f18 Orb-relaxed Al2 Fe40 B16 W3 boride candidate. CIF SHA256 11b4279b9f184288b8e9b651763dca7670e52b70dd30a9bdc6167e55ed644081. Unconstrained variable-cell ML relaxation; no DFT. AFLOW novelty, hull stability and magnetic performance remain under review. Newly authored ordered B4-cluster replacements in a known tau-boride/Cr23C6 scaffold. Parent coordinates are attributed to AFLOW Co21Ta2B6 (aflow:11a467b4675685d2); the B4 mechanism is motivated by DOI 10.1016/j.jssc.2010.07.048. This Fe-rich ordered phase is not experimentally established; no inherited energy or novelty. ## Structure - Formula: Al2Fe40B16W3 - Space group: P-4m2 (#115) - Lattice: a 7.5048, b 7.5046, c 10.6137 Å; α 90, β 90, γ 90° - Atoms in the cell: 61 - Volume: 597.765 ų - Density: 8.368 g/cm³ ## Contents ```cif # { # "campaign": "magnetic_frontier_20261019", # "id": "m67_W_Al2", # "parent_cif_sha256": "3abc1a8d623b2bdfbc9ff7cecb9ff8b1c0f615aca12176eb1ad2572c7ff06891", # "GPAC_program_sha256": "29616604085f1fc62410ff10ae472babba0f2df62217112d633b618406281da4", # "published_provenance": { # "source_kind": "new_GPAC_ordered_tau_B4_hypothesis", # "source_geometry": { # "path": "/Users/willgbryan/Desktop/rtrl/tctp_novelty_campaign/magnetic_frontier_20261019/research/tau_tetrahedra_v170/source_cifs/tau170_single.cif", # "sha256": "3abc1a8d623b2bdfbc9ff7cecb9ff8b1c0f615aca12176eb1ad2572c7ff06891" # }, # "parent_source": { # "path": "/Users/willgbryan/Desktop/rtrl/tctp_novelty_campaign/magnetic_frontier_20261019/research/tau_tetrahedra_v170/references/Co21Ta2B6_AFLOW_reconstructed.cif", # "sha256": "e5adf60720995d870eea4da4bc2f13479a9a55e22958121feeabf0657c17a915" # }, # "parent_AFLOW_auid": "aflow:11a467b4675685d2", # "motif_reference": "https://doi.org/10.1016/j.jssc.2010.07.048", # "stabilizer_reference": "https://doi.org/10.1007/s11669-013-0275-5", # "source_design": "Known tau scaffold and bulk B4 substitution mechanism. Fe-rich ordered Al/Ga/Nb/Ta fillings are hypotheses; no published energy or magnetic properties transfer.", # "experimental_validation": false # }, # "protocol_sha256": "0a659b9f4a75dc386e77bf23f39916fae7ea8f745a4a7bb22712f7b05fd9a78d", # "relaxation": "unconstrained Orb" # } data_image0 _chemical_formula_structural B16Al2Fe40W3 _chemical_formula_sum "B16 Al2 Fe40 W3" _cell_length_a 7.5047582697507185 _cell_length_b 7.504624924114404 _cell_length_c 10.613657918367984 _cell_angle_alpha 90.00166610510298 _cell_angle_beta 89.99872664641254 _cell_angle_gamma 89.9973867234658 _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 0.99986957967157 0.00022012027564518138 0.27831333969700917 1.0000 B B2 1.0 7.822524039118325e-06 0.00020640785277101765 0.7217205217616679 1.0000 B B3 1.0 0.9999784196558069 0.37844382636281804 0.18875432022108252 1.0000 B B4 1.0 0.9998245607518019 0.6220473357902273 0.18876716076457592 1.0000 B B5 1.0 0.12189891655305547 0.5001619562820032 0.3112501185890236 1.0000 B B6 1.0 0.22091840631077778 0.22193309821405705 0.4994402337878441 1.0000 B B7 1.0 0.2208652351724659 0.7784056434321225 0.4994291704646769 1.0000 B B8 1.0 0.278233143753978 0.27919031832471813 0.0005348596176595141 1.0000 B B9 1.0 0.2782413488215649 0.7211118879555372 0.0004634872078467034 1.0000 B B10 1.0 0.4999598467386703 0.5002038428062696 0.22170925813803277 1.0000 B B11 1.0 0.5000351112471674 0.500163241666268 0.7783969446081358 1.0000 B B12 1.0 0.7217960596514073 0.27916388491594496 0.0005765982103933569 1.0000 B B13 1.0 0.7217248487515628 0.7211336691949286 0.0005168357800098587 1.0000 B B14 1.0 0.7789440427179677 0.22191648830470262 0.4994696470389353 1.0000 B B15 1.0 0.7790058447132872 0.7785120569069858 0.49948518543891474 1.0000 B B16 1.0 0.8781605659880365 0.5000376818851952 0.31120047022228586 1.0000 Al Al1 1.0 4.790049432754507e-05 0.00019610435152919513 0.9987094089640323 1.0000 Al Al2 1.0 0.5000072339976396 0.5000888158019358 0.5013568938134744 1.0000 Fe Fe1 1.0 0.999885172787454 0.25523992913460836 0.37226649619536684 1.0000 Fe Fe2 1.0 0.999950680953234 0.23517473014731397 0.6157528441951144 1.0000 Fe Fe3 1.0 6.87858902016555e-07 0.33908961219312134 0.9932348389413955 1.0000 Fe Fe4 1.0 0.9999729753110557 0.6612414574513795 0.9931513704763897 1.0000 Fe Fe5 1.0 0.9998648019739195 0.7450799183085101 0.3722538127324652 1.0000 Fe Fe6 1.0 0.9999717275628799 0.7650661554055705 0.615836121803351 1.0000 Fe Fe7 1.0 0.1610756893475583 0.5001371097086633 0.5068381360184455 1.0000 Fe Fe8 1.0 0.17637723245361128 0.16407948015812804 0.1692852447131124 1.0000 Fe Fe9 1.0 0.17197622790579586 0.171235057853369 0.8279728534699878 1.0000 Fe Fe10 1.0 0.17632705016191402 0.8362317589607732 0.16922676062949443 1.0000 Fe Fe11 1.0 0.17181531407507095 0.8289636430719819 0.8279888344065386 1.0000 Fe Fe12 1.0 0.23100393941212882 0.0001392119712871213 0.38239639172960543 1.0000 Fe Fe13 1.0 0.23486898067061604 0.00013244482202564724 0.6172214380421958 1.0000 Fe Fe14 1.0 0.24496748902252946 0.5001785691273459 0.1276930271710885 1.0000 Fe Fe15 1.0 0.26496982389798435 0.5001146960329226 0.8842101638446641 1.0000 Fe Fe16 1.0 0.33603159147315564 0.32372771723640054 0.3307562811769803 1.0000 Fe Fe17 1.0 0.3289372619383732 0.3283161548006056 0.6719551621297736 1.0000 Fe Fe18 1.0 0.33600989337861736 0.6765498078317566 0.33073795019082014 1.0000 Fe Fe19 1.0 0.32887127108705794 0.6719162630051209 0.6719646031134064 1.0000 Fe Fe20 1.0 0.3438652426473094 0.00011213111512307367 0.9991769821374774 1.0000 Fe Fe21 1.0 0.4999264954431173 0.15635416793975312 0.5007931100278089 1.0000 Fe Fe22 1.0 0.4999411193931719 0.2690033686868674 0.11765169291893596 1.0000 Fe Fe23 1.0 0.5000219111040697 0.2652074963518412 0.8828134152472165 1.0000 Fe Fe24 1.0 0.49991775820125667 0.731216554379754 0.11754645810644156 1.0000 Fe Fe25 1.0 0.5000221746513616 0.7350350758358672 0.8827548612361557 1.0000 Fe Fe26 1.0 0.49993173826009424 0.8439178207960049 0.5007970123226574 1.0000 Fe Fe27 1.0 0.6562259635777017 0.000158781655620659 0.9992067547804753 1.0000 Fe Fe28 1.0 0.66376240292399 0.32367352006153916 0.3307584473441547 1.0000 Fe Fe29 1.0 0.6710693983636151 0.3282549315165573 0.6720344860732433 1.0000 Fe Fe30 1.0 0.6639085220831188 0.6765342924104297 0.33073171077350005 1.0000 Fe Fe31 1.0 0.6711619641216249 0.6719132444519634 0.6720489897763775 1.0000 Fe Fe32 1.0 0.7549910023955222 0.5001376256290193 0.12776721050632833 1.0000 Fe Fe33 1.0 0.7351499463337188 0.500078651617393 0.884227769810845 1.0000 Fe Fe34 1.0 0.7688260416661545 0.00020761160495724198 0.3824295196663855 1.0000 Fe Fe35 1.0 0.7650334646481389 0.00018590802007929604 0.6173141466589678 1.0000 Fe Fe36 1.0 0.8235162349368328 0.16411645477024828 0.16928621779673877 1.0000 Fe Fe37 1.0 0.8281327158402159 0.17122696054598918 0.8280337402262778 1.0000 Fe Fe38 1.0 0.8234864962475333 0.8363622749374617 0.16916918447929055 1.0000 Fe Fe39 1.0 0.8282874895110586 0.8289710681828105 0.8280592328929104 1.0000 Fe Fe40 1.0 0.8389194254307005 0.5001409476578692 0.5068848215393461 1.0000 W W1 1.0 1.9511715215798515e-05 0.5001045746854392 0.7500310835050013 1.0000 W W2 1.0 0.49990639131630177 0.0001254122802178726 0.25006804996764836 1.0000 W W3 1.0 0.5000379895444964 8.997765376851904e-05 0.7499479347727299 1.0000 ``` ## Use it - Download: https://database.ouro.foundation/storage/v1/object/public/public-files/56c30e2b-9868-4313-8927-75459083649d/01a15cca-af46-7625-8470-2fcd8b0709d9.cif?v=1792558150644 - Over Ouro MCP: `download_asset(id="2c9783c2-9f90-474e-96d9-9d419140d750")` returns the file or a download link. - Find routes that take it: `get_compatible_routes(asset_id="2c9783c2-9f90-474e-96d9-9d419140d750")`, then pass it as `input_assets={"file": "2c9783c2-9f90-474e-96d9-9d419140d750"}`. - From Python: `ouro.files.retrieve("2c9783c2-9f90-474e-96d9-9d419140d750")`