--- title: "TET-MAG-20261019-m10_Ti6Fe23B8-6a3d4cc39fdf" description: "Orb-relaxed Ti12 Fe46 B16 boride candidate. CIF SHA256 6a3d4cc39fdf3b42dede7b1bbe347431e18085bbec742d71679fa1e18051a16a. Unconstrained variable-cell ML relaxation; no DFT. AFLOW novelty, hull stability and magnetic performance remain under review. Derived from published source: . Coordinate source h" url: "https://ouro.foundation/files/ghost/tet-mag-20261019-m10-ti6fe23b8-6a3d4cc39fdf" id: "e72ad1fb-96f7-4490-8551-547da66a53b7" type: "file" --- # TET-MAG-20261019-m10_Ti6Fe23B8-6a3d4cc39fdf File by @will in #tetragonal-prototype-screening (ghost) · .cif · 8.9 KB · Ti6Fe23B8 - Asset id: `e72ad1fb-96f7-4490-8551-547da66a53b7` - Page: https://ouro.foundation/files/ghost/tet-mag-20261019-m10-ti6fe23b8-6a3d4cc39fdf Orb-relaxed Ti12 Fe46 B16 boride candidate. CIF SHA256 6a3d4cc39fdf3b42dede7b1bbe347431e18085bbec742d71679fa1e18051a16a. 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/10.1021/ic7020963; source SHA256 7766dd815fd67e540949eba9f04c0415dc9c6ca0a69c3743717e99538c0330cb. Terms: See CIF attribution. Published parent framework; the authored mutation is not an experimentally established material. ## Structure - Formula: Ti6Fe23B8 - Space group: P4/mbm (#127) - Lattice: a 16.2471, b 16.246, c 2.8836 Å; α 90, β 90, γ 90° - Atoms in the cell: 74 - Volume: 761.128 ų - Density: 7.235 g/cm³ ## Contents ```cif # { # "campaign": "magnetic_frontier_20261019", # "id": "m10_Ti6Fe23B8", # "parent_cif_sha256": "bf889b0dceb1c7a5357b05b73b6e12cd0e9829ecdd1b0b4aea953cfd75de0ca3", # "GPAC_program_sha256": "ccfeb2f5176f707ec0893589646a085d9477832cbcd7c0fda38a5d1fea2a67ad", # "published_provenance": { # "source_path": "/Users/willgbryan/Desktop/rtrl/tctp_novelty_campaign/additional_framework_goal_20261018/research/Ti9Fe2Ru18B8_primary_20261019/Ti9Fe2Ru18B8_published.cif", # "source_sha256": "7766dd815fd67e540949eba9f04c0415dc9c6ca0a69c3743717e99538c0330cb", # "source_url": "https://doi.org/10.1021/ic7020963", # "coordinate_receipt": { # "path": "/Users/willgbryan/Desktop/rtrl/tctp_novelty_campaign/additional_framework_goal_20261018/research/Ti9Fe2Ru18B8_primary_20261019/coordinate_receipt_v1.json", # "sha256": "5018d112d4fec8762c16600feaca70aef0a7c11382bb2a4503f62775ade8f121" # }, # "preliminary_library_audit": { # "path": "/Users/willgbryan/Desktop/rtrl/tctp_novelty_campaign/additional_framework_goal_20261018/research/Ti9Fe2Ru18B8_source_review_v1/summary.json", # "sha256": "b14952eea2bed9f6f1fabde34dfa3450356e3c08a6c679fcae7f75baa96e90d8" # }, # "preliminary_database_audit": { # "path": "/Users/willgbryan/Desktop/rtrl/tctp_novelty_campaign/additional_framework_goal_20261018/research/Ti9Fe2Ru18B8_AFLOW_source_scope_v1/source_audit.json", # "sha256": "91a90da53c74b5762cfaecab79b10defcd31dbf8c9679583a9879ac0311560aa" # }, # "note": "Published Zn11Rh18B8-type framework with isolated B-centered prisms. Ru sites replaced by Fe/Co and Ti sites by Ti/Nb/W. Native Fe sites retained. Known Ti3Co5B2 relation remains an explicit endpoint homology test; this is not new to the literature." # }, # "protocol_sha256": "0a659b9f4a75dc386e77bf23f39916fae7ea8f745a4a7bb22712f7b05fd9a78d", # "relaxation": "unconstrained Orb" # } data_image0 _chemical_formula_structural B16Ti12Fe46 _chemical_formula_sum "B16 Ti12 Fe46" _cell_length_a 16.247125441807608 _cell_length_b 16.246048552887043 _cell_length_c 2.883590899535372 _cell_angle_alpha 89.99935072385752 _cell_angle_beta 89.99654095775942 _cell_angle_gamma 89.99657753445456 _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 0.03185790240262054 0.3365837956509115 0.4994778666920162 1.0000 B B2 1.0 0.11680123908656025 0.1723463121834962 0.49958515189944913 1.0000 B B3 1.0 0.16357499471837839 0.46829139047714285 0.4995682500917829 1.0000 B B4 1.0 0.17250412145119182 0.8833096881477576 0.4995245918025619 1.0000 B B5 1.0 0.3277922428357367 0.3833070408408268 0.4995134104157758 1.0000 B B6 1.0 0.3367151876592571 0.9683417605270718 0.49951050572469297 1.0000 B B7 1.0 0.3834632690975725 0.6723660894185023 0.49957801417511016 1.0000 B B8 1.0 0.4684376869196847 0.8365772045199484 0.4994150803661478 1.0000 B B9 1.0 0.5317929836289776 0.16347176897044388 0.49952534924587716 1.0000 B B10 1.0 0.6168081584417365 0.3276654079457568 0.49958374382595866 1.0000 B B11 1.0 0.6635732931830621 0.0317222850111285 0.4994707096686797 1.0000 B B12 1.0 0.6725177328066764 0.6166923230202535 0.49948843321089587 1.0000 B B13 1.0 0.8277705848791768 0.11670311661690139 0.49949093661290545 1.0000 B B14 1.0 0.8367351957385932 0.5316941115217838 0.499443448980943 1.0000 B B15 1.0 0.8834614181829771 0.8276324824947077 0.49956361547802697 1.0000 B B16 1.0 0.9684770160213585 0.6634376991641975 0.49952275111663236 1.0000 Ti Ti1 1.0 0.03903667913510696 0.8128494590805971 0.4995374436631496 1.0000 Ti Ti2 1.0 0.18727625902162282 0.03887651887140898 0.4993384041695768 1.0000 Ti Ti3 1.0 0.18951000972524562 0.3106010364316479 0.49933394066969994 1.0000 Ti Ti4 1.0 0.31076629844277875 0.8106253887599489 0.49935617705725543 1.0000 Ti Ti5 1.0 0.31304441718277454 0.5388907728222858 0.499485880241263 1.0000 Ti Ti6 1.0 0.46123093637529533 0.31288801962848006 0.4994705676279308 1.0000 Ti Ti7 1.0 0.5390098023195758 0.6871297965395635 0.49942642990256436 1.0000 Ti Ti8 1.0 0.6872982014427818 0.461120069601745 0.4994209150257704 1.0000 Ti Ti9 1.0 0.6895142470046952 0.1894099910304383 0.49947117108739597 1.0000 Ti Ti10 1.0 0.810776216255681 0.6893804873741952 0.4993043507447435 1.0000 Ti Ti11 1.0 0.8130095717290378 0.9611280554971722 0.49951610326158713 1.0000 Ti Ti12 1.0 0.9612657514725852 0.18709532269768717 0.4994353848778877 1.0000 Fe Fe1 1.0 0.00019083026760774156 3.733842115965321e-05 0.49959730502673744 1.0000 Fe Fe2 1.0 0.05227086283572672 0.5520825328451846 0.4997674238909392 1.0000 Fe Fe3 1.0 0.057993630385264734 0.6736657656917798 0.999619029810919 1.0000 Fe Fe4 1.0 0.06593070907364092 0.09915931946574147 0.9995721159930488 1.0000 Fe Fe5 1.0 0.07463235963075274 0.2548551995535069 0.9994298389409194 1.0000 Fe Fe6 1.0 0.08372393188492204 0.41643137074460834 0.9994239648756347 1.0000 Fe Fe7 1.0 0.09931020357389511 0.9342175551229586 0.999595273741359 1.0000 Fe Fe8 1.0 0.17380530224942073 0.5578944450982558 0.999657272131058 1.0000 Fe Fe9 1.0 0.1737612272433445 0.7938048081334369 0.9996482858173499 1.0000 Fe Fe10 1.0 0.17738343035693083 0.6772692794469505 0.49977255771582174 1.0000 Fe Fe11 1.0 0.20632463178686658 0.1736287568166276 0.9995671682226311 1.0000 Fe Fe12 1.0 0.24529433865194084 0.4255121089140258 0.9995718491532308 1.0000 Fe Fe13 1.0 0.2550247112662857 0.92553691307677 0.9993643046012386 1.0000 Fe Fe14 1.0 0.2939272370157239 0.6736523171897841 0.9996547796611899 1.0000 Fe Fe15 1.0 0.3229579917573916 0.17727245454092144 0.4996568761246104 1.0000 Fe Fe16 1.0 0.3265066557427998 0.29380421313986504 0.9995464390835513 1.0000 Fe Fe17 1.0 0.3264807833465065 0.05793016362747916 0.9995620759456254 1.0000 Fe Fe18 1.0 0.4009503979872898 0.4342294797657474 0.9995820870817145 1.0000 Fe Fe19 1.0 0.41655205012567836 0.9164693786731488 0.9992755468973787 1.0000 Fe Fe20 1.0 0.42564335784024393 0.7548563480970151 0.9994526583119073 1.0000 Fe Fe21 1.0 0.4343453351891129 0.5991893872055007 0.9996016421388035 1.0000 Fe Fe22 1.0 0.4422437757772581 0.17367741734750383 0.9996497698126335 1.0000 Fe Fe23 1.0 0.44807468569623643 0.05210201803758972 0.49977020152410145 1.0000 Fe Fe24 1.0 0.5001754608647503 0.5000627331325767 0.499559366296604 1.0000 Fe Fe25 1.0 0.5522383715219075 0.9479447062142473 0.49951448096286705 1.0000 Fe Fe26 1.0 0.5580064778500932 0.8263670069544197 0.9995932956122082 1.0000 Fe Fe27 1.0 0.5659606036046481 0.40090802574917583 0.9995567449167532 1.0000 Fe Fe28 1.0 0.5746247537875387 0.24515691482791999 0.9994836493091656 1.0000 Fe Fe29 1.0 0.5836998123359354 0.08362306062098163 0.9993889755791506 1.0000 Fe Fe30 1.0 0.5993118484951065 0.5658340440454552 0.9995774786062324 1.0000 Fe Fe31 1.0 0.6737674019025084 0.9421531013050143 0.9995882871564329 1.0000 Fe Fe32 1.0 0.6737740429854984 0.7062257527642853 0.9996099885585393 1.0000 Fe Fe33 1.0 0.6774009783073018 0.822815444224315 0.49973015294454115 1.0000 Fe Fe34 1.0 0.7063249905763764 0.3263821957671577 0.9996504268880557 1.0000 Fe Fe35 1.0 0.7452867820623154 0.07449602902432324 0.9994614031513129 1.0000 Fe Fe36 1.0 0.7550318441952631 0.5745058848769868 0.9994301517794711 1.0000 Fe Fe37 1.0 0.793932949705535 0.8264126575549517 0.9996269386032459 1.0000 Fe Fe38 1.0 0.8229360513255853 0.3228145653849807 0.4996451702895034 1.0000 Fe Fe39 1.0 0.8264965082855095 0.2062272992689888 0.9995148903984578 1.0000 Fe Fe40 1.0 0.8264653670417904 0.4421411180688277 0.9996206081877731 1.0000 Fe Fe41 1.0 0.9009449023330353 0.06582357234164597 0.9994961544779964 1.0000 Fe Fe42 1.0 0.9165621339316463 0.5835871290578887 0.99933508123489 1.0000 Fe Fe43 1.0 0.9256332612289065 0.7451437812125433 0.9994192762857358 1.0000 Fe Fe44 1.0 0.9343270484522841 0.9008416220500075 0.9995586926650125 1.0000 Fe Fe45 1.0 0.9422544698313042 0.326347326161168 0.9996804936816691 1.0000 Fe Fe46 1.0 0.9480856531472933 0.44792201286063527 0.4995575799842339 1.0000 ``` ## Use it - Download: https://database.ouro.foundation/storage/v1/object/public/public-files/56c30e2b-9868-4313-8927-75459083649d/01a15615-5864-74ab-a947-03b133da3261.cif?v=1792445603332 - Over Ouro MCP: `download_asset(id="e72ad1fb-96f7-4490-8551-547da66a53b7")` returns the file or a download link. - Find routes that take it: `get_compatible_routes(asset_id="e72ad1fb-96f7-4490-8551-547da66a53b7")`, then pass it as `input_assets={"file": "e72ad1fb-96f7-4490-8551-547da66a53b7"}`. - From Python: `ouro.files.retrieve("e72ad1fb-96f7-4490-8551-547da66a53b7")`