--- title: "TET-MAG-20261019-jl408_AAAB_Si-3480596d9815" description: "Orb-relaxed Fe46 Si8 B20 boride candidate. CIF SHA256 3480596d9815d092ec67985f99dc97b45e0edd1a2729ed1f3d8587106cff7f67. Unconstrained variable-cell ML relaxation; no DFT. Ouro same-formula novelty, hull stability and magnetic performance remain under review; cross-composition framework novelty is se" url: "https://ouro.foundation/files/ghost/tet-mag-20261019-jl408-aaab-si-3480596d9815" id: "92dfc196-8e30-4826-85e2-5da7d07fbde5" type: "file" --- # TET-MAG-20261019-jl408_AAAB_Si-3480596d9815 File by @will in #tetragonal-prototype-screening (ghost) · .cif · 9.1 KB · Fe23Si4B10 - Asset id: `92dfc196-8e30-4826-85e2-5da7d07fbde5` - Page: https://ouro.foundation/files/ghost/tet-mag-20261019-jl408-aaab-si-3480596d9815 Orb-relaxed Fe46 Si8 B20 boride candidate. CIF SHA256 3480596d9815d092ec67985f99dc97b45e0edd1a2729ed1f3d8587106cff7f67. Unconstrained variable-cell ML relaxation; no DFT. Ouro same-formula novelty, hull stability and magnetic performance remain under review; cross-composition framework novelty is separate. Derived from published source: . Known scaffold reference https://juser.fz-juelich.de/record/916020; authored-parent input SHA256 . Terms: See CIF attribution. Published parent framework; the authored mutation is not an experimentally established material. ## Structure - Formula: Fe23Si4B10 - Space group: P4/mbm (#127) - Lattice: a 5.5086, b 5.5085, c 23.385 Å; α 90, β 90, γ 90° - Atoms in the cell: 74 - Volume: 709.6 ų - Density: 7.043 g/cm³ ## Contents ```cif # { # "campaign": "magnetic_frontier_20261019", # "id": "jl408_AAAB_Si", # "parent_cif_sha256": "74e66cdaec56b258ec3419e27858d0d628076c1a1ddd08a9d6165a446500f2a6", # "GPAC_program_sha256": "e57126dc4d9bb6d2b2c24f90358f85b82722313a5aa1ea618035d809bc12c33e", # "published_provenance": { # "source_kind": "GPAC_M5_M8_SEQUENCE_HYPOTHESIS", # "source": { # "path": "/Users/willgbryan/Desktop/rtrl/tctp_novelty_campaign/external/aflow_protos/A3B5_tI32_140_ah_cl-001.cif", # "sha256": "74e66cdaec56b258ec3419e27858d0d628076c1a1ddd08a9d6165a446500f2a6" # }, # "sources": [ # { # "path": "/Users/willgbryan/Desktop/rtrl/tctp_novelty_campaign/external/aflow_protos/A3B5_tI32_140_ah_cl-001.cif", # "sha256": "74e66cdaec56b258ec3419e27858d0d628076c1a1ddd08a9d6165a446500f2a6" # }, # { # "path": "/Users/willgbryan/Desktop/rtrl/tctp_novelty_campaign/magnetic_frontier_20261019/research/literature_sources_v6/source_cifs/V8SiB4_Yang2022.cif", # "sha256": "96e813d55a9d9bb164c9df3a615ff7c87fc187d0438d42d5f324b8838486c09a" # } # ], # "source_url": "https://juser.fz-juelich.de/record/916020", # "ancestry": "Three fixed homologous sequences of known Cr5B3-derived M5XB2 and published V8SiB4-derived M8XB4 half-blocks: AAAB, AABB and ABBB. Every consecutive block, including the periodic closing interface, alternates the centered xy registry. All native metal, boron and ligand sites in each block are retained. This changes the ordered block sequence and primitive occupied support relative to the previously confirmed AB junction; it is an explicitly related junction series, not three independent parent families or a vacancy-dilution search. No source stability, magnetic property or novelty transfers.", # "source_properties_transferred": false, # "experimental_validation": false # }, # "protocol_sha256": "0a659b9f4a75dc386e77bf23f39916fae7ea8f745a4a7bb22712f7b05fd9a78d", # "relaxation": "unconstrained Orb" # } data_image0 _chemical_formula_structural B20Si8Fe46 _chemical_formula_sum "B20 Si8 Fe46" _cell_length_a 5.508615077673866 _cell_length_b 5.508497034375875 _cell_length_c 23.38503320395422 _cell_angle_alpha 89.99976996134215 _cell_angle_beta 90.00151644961673 _cell_angle_gamma 90.00008757290055 _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 0.11950674109651713 0.3808137546940603 0.7707064471700671 1.0000 B B2 1.0 0.11954162430594076 0.3808252551864354 0.8945766960960236 1.0000 B B3 1.0 0.11993260865391286 0.38039285175642723 0.3326461199043436 1.0000 B B4 1.0 0.11987721386626125 0.6199171652986124 0.11321131639957539 1.0000 B B5 1.0 0.11987586289640036 0.6198981974216092 0.5520802003862456 1.0000 B B6 1.0 0.380360816565754 0.11999804792266235 0.11321681614998565 1.0000 B B7 1.0 0.3803580847823255 0.11996742481284701 0.5520859066238081 1.0000 B B8 1.0 0.38033801942703077 0.8803825446734712 0.33265049263571617 1.0000 B B9 1.0 0.38076920546314047 0.8807952719748386 0.7707106158425148 1.0000 B B10 1.0 0.38071632543935746 0.8807959963534081 0.8945843287809913 1.0000 B B11 1.0 0.6194876216705516 0.11953020958929376 0.770690822585316 1.0000 B B12 1.0 0.6194828565234981 0.11957575838719443 0.8945902978570002 1.0000 B B13 1.0 0.6199041563282255 0.1199490119600737 0.3326457712799133 1.0000 B B14 1.0 0.6198946209837348 0.8804243913549409 0.11321110836885238 1.0000 B B15 1.0 0.6198960875605181 0.8803944189845139 0.5520794986291512 1.0000 B B16 1.0 0.8803588256841316 0.380400358781813 0.11321513335747548 1.0000 B B17 1.0 0.8803558010171108 0.38037334448193083 0.5520847454395617 1.0000 B B18 1.0 0.8803502369428914 0.6200134037112377 0.33265087320977343 1.0000 B B19 1.0 0.8807683071142888 0.6196004186262628 0.770706087782381 1.0000 B B20 1.0 0.8807427806605687 0.6196271681603726 0.8945811522872028 1.0000 Si Si1 1.0 0.00012435265921334444 0.00011974701407157528 0.0034470558600227514 1.0000 Si Si2 1.0 9.326156723153992e-05 0.00012770584527600133 0.22293653032489386 1.0000 Si Si3 1.0 0.00010876312197131178 0.00010744637381658878 0.4423549024485412 1.0000 Si Si4 1.0 8.963637708872055e-05 9.139494002960757e-05 0.6618393073374294 1.0000 Si Si5 1.0 0.500123889479876 0.5001362920528745 0.003447256847690431 1.0000 Si Si6 1.0 0.5001338497910492 0.5001269188945446 0.22293227955443265 1.0000 Si Si7 1.0 0.5000902647778905 0.5001424495467217 0.442351801130818 1.0000 Si Si8 1.0 0.5001382499324896 0.5000634628977482 0.6618407054168508 1.0000 Fe Fe1 1.0 0.00014627588411877195 0.00016655996033480808 0.1132590740294021 1.0000 Fe Fe2 1.0 0.00011696133379758986 0.00017851819916426328 0.3326556282361004 1.0000 Fe Fe3 1.0 0.00014794504374803492 0.00012858862629504654 0.5520647229979819 1.0000 Fe Fe4 1.0 0.00010297845334410766 0.00014014605741833176 0.7720152564878424 1.0000 Fe Fe5 1.0 0.00010196590759000398 0.00014796283440445665 0.8932804935695527 1.0000 Fe Fe6 1.0 0.1681876359606901 0.332048103045047 0.05327907340881795 1.0000 Fe Fe7 1.0 0.1679018676446246 0.3324195673956475 0.17326408424560397 1.0000 Fe Fe8 1.0 0.16793185370139882 0.3322736497207532 0.4920205368512715 1.0000 Fe Fe9 1.0 0.16814300236075183 0.3321376246367728 0.6120128643374683 1.0000 Fe Fe10 1.0 0.16799080937305688 0.6680050497511199 0.27263087009613773 1.0000 Fe Fe11 1.0 0.16796971432398258 0.6679380205444464 0.3926572689214927 1.0000 Fe Fe12 1.0 0.17016078155645142 0.6701524896533058 0.7120245270749208 1.0000 Fe Fe13 1.0 0.17014315814433134 0.6701714543674367 0.9532576145337948 1.0000 Fe Fe14 1.0 0.16926928931020555 0.6692732306696064 0.8326500092386626 1.0000 Fe Fe15 1.0 0.3310276214377284 0.16920496060275034 0.8326516591663226 1.0000 Fe Fe16 1.0 0.33004565856895923 0.17013324388972903 0.712041888892558 1.0000 Fe Fe17 1.0 0.3300841154727329 0.17023688280183702 0.9532445839605211 1.0000 Fe Fe18 1.0 0.33224608835397357 0.1679594277358189 0.27264984598661784 1.0000 Fe Fe19 1.0 0.332299427977174 0.16797475898936823 0.392643064353163 1.0000 Fe Fe20 1.0 0.33211203768433617 0.8321304111560429 0.053295077256721994 1.0000 Fe Fe21 1.0 0.33240942125262873 0.8324342812292663 0.17326291247123232 1.0000 Fe Fe22 1.0 0.33238271515949497 0.8323574067499987 0.4920410717578826 1.0000 Fe Fe23 1.0 0.33214155100898624 0.8321583199516337 0.6120104827485001 1.0000 Fe Fe24 1.0 0.5000866806151536 0.5001747904242293 0.11325566987683423 1.0000 Fe Fe25 1.0 0.5001640894444224 0.5001388556442423 0.33266350410208106 1.0000 Fe Fe26 1.0 0.5000899812544631 0.5001568938868084 0.552060380397624 1.0000 Fe Fe27 1.0 0.500150696917059 0.5001181264137623 0.7720207320521395 1.0000 Fe Fe28 1.0 0.500107922933255 0.5001343411663158 0.8932819085702395 1.0000 Fe Fe29 1.0 0.6682106766437181 0.16821867749560968 0.05328448354955801 1.0000 Fe Fe30 1.0 0.6679202989798514 0.16792410869426577 0.1732580198949477 1.0000 Fe Fe31 1.0 0.6679696036874808 0.16793213775876575 0.4920292663121363 1.0000 Fe Fe32 1.0 0.6681635641349244 0.16813694955848088 0.6120045158790692 1.0000 Fe Fe33 1.0 0.6679732098981939 0.8322608602193554 0.27261937490820887 1.0000 Fe Fe34 1.0 0.6679345360999235 0.8323696400197479 0.3926677990886546 1.0000 Fe Fe35 1.0 0.6701472880179734 0.8300352149721317 0.7120182859843256 1.0000 Fe Fe36 1.0 0.6701556770538359 0.8301883375669893 0.9532658369005764 1.0000 Fe Fe37 1.0 0.6693127192752558 0.8309373226477142 0.832654718996061 1.0000 Fe Fe38 1.0 0.8309581018261986 0.33098294640288717 0.8326588537781457 1.0000 Fe Fe39 1.0 0.8301597720185394 0.3301425167900923 0.7120397419939726 1.0000 Fe Fe40 1.0 0.8301567091624866 0.33022831536586894 0.9532522150189872 1.0000 Fe Fe41 1.0 0.832360538295676 0.3323612138539254 0.2726420323013491 1.0000 Fe Fe42 1.0 0.8323940410162869 0.3324072359730865 0.39266108232664554 1.0000 Fe Fe43 1.0 0.832010179527477 0.6682139617393795 0.05329620017951257 1.0000 Fe Fe44 1.0 0.8323115038385662 0.6679573975484355 0.17324969146316585 1.0000 Fe Fe45 1.0 0.8322744104276116 0.6679283841492057 0.49204559597600245 1.0000 Fe Fe46 1.0 0.8320607473780323 0.6681799899838365 0.6119953338966273 1.0000 ``` ## Use it - Download: https://database.ouro.foundation/storage/v1/object/public/public-files/56c30e2b-9868-4313-8927-75459083649d/01a17d91-5e62-7e3f-9789-5e1da1d9243b.cif?v=1793108042305 - Over Ouro MCP: `download_asset(id="92dfc196-8e30-4826-85e2-5da7d07fbde5")` returns the file or a download link. - Find routes that take it: `get_compatible_routes(asset_id="92dfc196-8e30-4826-85e2-5da7d07fbde5")`, then pass it as `input_assets={"file": "92dfc196-8e30-4826-85e2-5da7d07fbde5"}`. - From Python: `ouro.files.retrieve("92dfc196-8e30-4826-85e2-5da7d07fbde5")`