--- title: "TET-MAG-20261019-md480_single_CoNb-4cd9ca53c9d2" description: "Orb-relaxed Nb8 Fe81 Co2 B26 boride candidate. CIF SHA256 4cd9ca53c9d2f4f0c1948a9cc77b39e4035b58944d44effce6829a2276a47c25. Unconstrained variable-cell ML relaxation; no DFT. Ouro same-formula novelty, hull stability and magnetic performance remain under review; cross-composition framework novelty i" url: "https://ouro.foundation/files/ghost/tet-mag-20261019-md480-single-conb-4cd9ca53c9d2" id: "7be41a6f-c6e2-4dde-b608-c39dbd5e2915" type: "file" --- # TET-MAG-20261019-md480_single_CoNb-4cd9ca53c9d2 File by @will in #tetragonal-prototype-screening (ghost) · .cif · 12.4 KB · Nb8Fe81Co2B26 - Asset id: `7be41a6f-c6e2-4dde-b608-c39dbd5e2915` - Page: https://ouro.foundation/files/ghost/tet-mag-20261019-md480-single-conb-4cd9ca53c9d2 Orb-relaxed Nb8 Fe81 Co2 B26 boride candidate. CIF SHA256 4cd9ca53c9d2f4f0c1948a9cc77b39e4035b58944d44effce6829a2276a47c25. 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 Leithe-Jasper et al., MPI CPfS Scientific Report2009,pp113–118; Long et al., J.Appl.Phys.101,09N114(2007): https://www.andrew.cmu.edu/user/dl0p/laughlin/pdf/375.pdf. Known scaffold reference https://aflow.org/prototype-encyclopedia/A6B23_cF116_225_e_acfh-001/; authored-parent input SHA256 . Terms: See CIF attribution. Published parent framework; the authored mutation is not an experimentally established material. ## Structure - Formula: Nb8Fe81Co2B26 - Space group: P4/mmm (#123) - Lattice: a 10.6401, b 10.6398, c 10.6955 Å; α 90, β 90, γ 90° - Atoms in the cell: 117 - Volume: 1210.818 ų - Density: 7.77 g/cm³ ## Contents ```cif # { # "campaign": "magnetic_frontier_20261019", # "id": "md480_single_CoNb", # "parent_cif_sha256": "4baf2087417c636a651cba2c3785c33edaaf4307b90a14f13edf0165a31d0bb7", # "GPAC_program_sha256": "12df2f46eca1748a8f547adfa2d57af876c5ae8e2459188d254c7ca805fb2597", # "published_provenance": { # "source_kind": "GPAC_OCCUPIED_METAL_CENTER_B2_REPLACEMENT", # "source": { # "path": "/Users/willgbryan/Desktop/rtrl/tctp_novelty_campaign/external/aflow_protos/A6B23_cF116_225_e_acfh-001.cif", # "sha256": "4baf2087417c636a651cba2c3785c33edaaf4307b90a14f13edf0165a31d0bb7" # }, # "source_url": "https://aflow.org/prototype-encyclopedia/A6B23_cF116_225_e_acfh-001/", # "ancestry": "Known Cr23C6-type metal-rich boride scaffold, with Cr mapped to Fe and C to B. Replace the origin 4a metal center, or both z=0 4a centers, by axial B pairs of initial1.8A separation. Retain all24 native B sites. This removes one/two metal vertices and adds two/four B vertices; most of the known metal backbone is retained. Unlike empty4b cube occupation or native-B relocation, these pairs replace occupied4a metal centers. No source energy, novelty, synthesis or hardness is inherited.", # "publication_citation": "Leithe-Jasper et al., MPI CPfS Scientific Report2009,pp113\u2013118; Long et al., J.Appl.Phys.101,09N114(2007)", # "publication_url": "https://www.andrew.cmu.edu/user/dl0p/laughlin/pdf/375.pdf", # "source_properties_transferred": false, # "experimental_validation": false # }, # "protocol_sha256": "0a659b9f4a75dc386e77bf23f39916fae7ea8f745a4a7bb22712f7b05fd9a78d", # "relaxation": "unconstrained Orb" # } data_image0 _chemical_formula_structural B26Fe81Co2Nb8 _chemical_formula_sum "B26 Fe81 Co2 Nb8" _cell_length_a 10.640083960709768 _cell_length_b 10.639758219774146 _cell_length_c 10.695522817483821 _cell_angle_alpha 90.0007511872896 _cell_angle_beta 90.00005844664472 _cell_angle_gamma 89.99945580769322 _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 3.910870973600809e-05 0.999777193646808 0.08428831542414769 1.0000 B B2 1.0 7.9271572195604e-05 0.9998443147034581 0.2705619333303287 1.0000 B B3 1.0 8.603540225087246e-05 0.9998469755793805 0.7294056193364394 1.0000 B B4 1.0 0.9999770155002958 0.9997747988572354 0.9156285622617619 1.0000 B B5 1.0 8.178091460951661e-05 0.2262243447830225 0.4999152988782742 1.0000 B B6 1.0 7.580751102476421e-05 0.2803468257651024 0.9999049823452881 1.0000 B B7 1.0 9.841771554434235e-05 0.49986707832755134 0.22505209602579404 1.0000 B B8 1.0 8.184175914642864e-05 0.49987543100268467 0.7748319278765101 1.0000 B B9 1.0 7.403550999972188e-05 0.7192541920083749 0.9999126675962985 1.0000 B B10 1.0 8.073910687558691e-05 0.7733667331506845 0.49992584769042236 1.0000 B B11 1.0 0.22657810871166553 0.9998841876070265 0.4999299161248774 1.0000 B B12 1.0 0.2266809608919772 0.4998924760834219 0.9999429462509816 1.0000 B B13 1.0 0.280584180754139 0.9998404296474764 0.9999243032380716 1.0000 B B14 1.0 0.2750312662997453 0.49985816991342397 0.49993887682369176 1.0000 B B15 1.0 0.5000784050839855 0.9998782049630769 0.22505000647005052 1.0000 B B16 1.0 0.5000654204041327 0.9998724862362898 0.7748339321141662 1.0000 B B17 1.0 0.5000851163925268 0.22645014404796138 0.9999366231089128 1.0000 B B18 1.0 0.5000862321785756 0.27473776222029195 0.4999085380260971 1.0000 B B19 1.0 0.5000739850653821 0.49988204821688653 0.2739281648954557 1.0000 B B20 1.0 0.5000896844862404 0.49986932072691376 0.7260015894281538 1.0000 B B21 1.0 0.5000845414045914 0.7248434904974973 0.49991981954043596 1.0000 B B22 1.0 0.5000866765699267 0.7732275262098056 0.9999393280157497 1.0000 B B23 1.0 0.7195099150560061 0.9998375310060211 0.9999056754721133 1.0000 B B24 1.0 0.7252048063734808 0.49986693015058076 0.4999129846159273 1.0000 B B25 1.0 0.7736780006901971 0.999867822197411 0.4999396794685571 1.0000 B B26 1.0 0.7734206135426768 0.49987628107000553 0.999938766792243 1.0000 Fe Fe1 1.0 9.890389947882519e-05 0.17589252693665286 0.17581418025079562 1.0000 Fe Fe2 1.0 0.00011910565473226879 0.17591230657182488 0.8241053756104542 1.0000 Fe Fe3 1.0 8.913606191492522e-05 0.3327911208008039 0.33268240557643564 1.0000 Fe Fe4 1.0 0.00010294647692223108 0.33272776183545394 0.6671849760498667 1.0000 Fe Fe5 1.0 9.621762091827226e-05 0.6668628169251029 0.33272305842949224 1.0000 Fe Fe6 1.0 8.125640629862343e-05 0.6669383421628782 0.6672412400291391 1.0000 Fe Fe7 1.0 9.021980937526178e-05 0.8237351911164689 0.17587471135090138 1.0000 Fe Fe8 1.0 8.605970100552493e-05 0.8237553398684521 0.8240675308198235 1.0000 Fe Fe9 1.0 0.11596576191287164 0.11569597776928335 0.384867877320474 1.0000 Fe Fe10 1.0 0.11592454544045366 0.11566264708356405 0.6149473465731318 1.0000 Fe Fe11 1.0 0.11669391057000404 0.38401071139762544 0.11610368298355543 1.0000 Fe Fe12 1.0 0.11671496582295741 0.3840201587797787 0.8837118004149259 1.0000 Fe Fe13 1.0 0.11670459592651894 0.6156836663732513 0.11611950043617339 1.0000 Fe Fe14 1.0 0.11674683140443119 0.6157135109722132 0.8836930366170519 1.0000 Fe Fe15 1.0 0.11592809279108343 0.8839911866277883 0.3849354271598778 1.0000 Fe Fe16 1.0 0.11591844256579449 0.8839923563865281 0.6149309252880849 1.0000 Fe Fe17 1.0 0.176094183936751 0.9998635623045379 0.17581711157334623 1.0000 Fe Fe18 1.0 0.17611122848628016 0.9998769531160603 0.8241656759822155 1.0000 Fe Fe19 1.0 0.1528331734243192 0.15258406689552415 0.9999830373976628 1.0000 Fe Fe20 1.0 0.17018598603663315 0.3303646335704589 0.49995663422996006 1.0000 Fe Fe21 1.0 0.17003464972676574 0.4998423310405125 0.33066357353413933 1.0000 Fe Fe22 1.0 0.17003052547422112 0.49984120016674793 0.6692499697118965 1.0000 Fe Fe23 1.0 0.17019234815512982 0.6692936176502282 0.5000009628309218 1.0000 Fe Fe24 1.0 0.15252942271925252 0.8473323933599272 1.4102592880103832e-05 1.0000 Fe Fe25 1.0 0.3330554591300397 0.9998916880492064 0.33270814515340574 1.0000 Fe Fe26 1.0 0.33298740176179265 0.9998719223317405 0.6672231724580341 1.0000 Fe Fe27 1.0 0.33062438389117155 0.16998048806625407 0.4999765900835349 1.0000 Fe Fe28 1.0 0.3236222998100414 0.32339333415068444 0.9999457211317848 1.0000 Fe Fe29 1.0 0.32923943863667465 0.4998817776100824 0.16983532831532377 1.0000 Fe Fe30 1.0 0.32928929347233027 0.4998645414653764 0.8300552065930492 1.0000 Fe Fe31 1.0 0.3235457241866157 0.6764266526382664 0.9999736590010534 1.0000 Fe Fe32 1.0 0.3307120561463147 0.8297844201592964 0.49997663140576576 1.0000 Fe Fe33 1.0 0.38420466221055766 0.11650008389044486 0.11614899179558993 1.0000 Fe Fe34 1.0 0.38420149575500007 0.11649460347480874 0.8837211493332446 1.0000 Fe Fe35 1.0 0.3840969769732481 0.3838176259314453 0.3837780421085307 1.0000 Fe Fe36 1.0 0.38409109899470567 0.3838457191737625 0.6160779429314095 1.0000 Fe Fe37 1.0 0.38404365814548974 0.6158460083577584 0.38376873272036244 1.0000 Fe Fe38 1.0 0.3840548517146056 0.6158434694806975 0.6161249312301001 1.0000 Fe Fe39 1.0 0.3842244098020496 0.8831958222549052 0.11614312051025504 1.0000 Fe Fe40 1.0 0.38422957890804865 0.883180572633182 0.8837244473210923 1.0000 Fe Fe41 1.0 0.500081776271681 0.16977832367542864 0.3306669280568517 1.0000 Fe Fe42 1.0 0.5000667862057957 0.16982016605579653 0.6692438659479535 1.0000 Fe Fe43 1.0 0.5000900155925931 0.32894226686933453 0.16987121330924287 1.0000 Fe Fe44 1.0 0.5000946576994324 0.3289793107332326 0.8299796871805684 1.0000 Fe Fe45 1.0 0.5002464157954463 0.499811928486828 0.9999450266963884 1.0000 Fe Fe46 1.0 0.5000736227783275 0.6707810960273873 0.1699360000576741 1.0000 Fe Fe47 1.0 0.5000834893880768 0.6707165752831049 0.829998074239444 1.0000 Fe Fe48 1.0 0.5000640940491937 0.8299306365120291 0.3306917220682891 1.0000 Fe Fe49 1.0 0.5000644113014717 0.829865840607209 0.6691790339223471 1.0000 Fe Fe50 1.0 0.6158902479035585 0.11648857992478746 0.11611027539962572 1.0000 Fe Fe51 1.0 0.615941647431414 0.11650331207714688 0.8836820865631058 1.0000 Fe Fe52 1.0 0.6160928027254303 0.3838348921797056 0.38375544808147033 1.0000 Fe Fe53 1.0 0.6160691226516851 0.3838341822428613 0.6160268063226219 1.0000 Fe Fe54 1.0 0.6161346304193582 0.6158505241634081 0.3837291390874006 1.0000 Fe Fe55 1.0 0.6160774949229674 0.615825638290545 0.6160573388439214 1.0000 Fe Fe56 1.0 0.6158959988336092 0.8831689124789784 0.11610799993954739 1.0000 Fe Fe57 1.0 0.6159213142901673 0.8831618630221538 0.8837027571371995 1.0000 Fe Fe58 1.0 0.667087847566276 0.9998561557696769 0.33271967025037513 1.0000 Fe Fe59 1.0 0.6671002536597687 0.9998541587376377 0.6672049730993775 1.0000 Fe Fe60 1.0 0.6695298997498064 0.16995007261263462 0.49998519376124473 1.0000 Fe Fe61 1.0 0.6766817955918566 0.323241487837778 0.9999349862677182 1.0000 Fe Fe62 1.0 0.6709478344859658 0.4998574504403485 0.16991427811023224 1.0000 Fe Fe63 1.0 0.6709600011269529 0.4998198944456241 0.82995759857467 1.0000 Fe Fe64 1.0 0.676676899111805 0.6764829303854458 0.9999659350466792 1.0000 Fe Fe65 1.0 0.6695133380540389 0.8297150812119626 0.4999659417929088 1.0000 Fe Fe66 1.0 0.8239777096949333 0.9998790325698358 0.17588005770412646 1.0000 Fe Fe67 1.0 0.823957481632836 0.9998781132836829 0.8240193535351037 1.0000 Fe Fe68 1.0 0.8475860272874663 0.1522963376867797 0.999940090620972 1.0000 Fe Fe69 1.0 0.8300631700765375 0.3304329160870613 0.4999546410259355 1.0000 Fe Fe70 1.0 0.8302118817321653 0.49986082909533736 0.3307013527066368 1.0000 Fe Fe71 1.0 0.8301730994429436 0.4998380192892759 0.6691896915577635 1.0000 Fe Fe72 1.0 0.829970346329993 0.6693167924001441 0.4999800329003206 1.0000 Fe Fe73 1.0 0.8479009243679576 0.8476394276101846 0.9999661345820391 1.0000 Fe Fe74 1.0 0.8841968268180063 0.11569048514242866 0.3849048312906936 1.0000 Fe Fe75 1.0 0.8842232560239055 0.11567764287108959 0.6150012078135904 1.0000 Fe Fe76 1.0 0.8834150762090035 0.3840176293962384 0.11611945135683814 1.0000 Fe Fe77 1.0 0.8834387259288256 0.38398887666908144 0.8837127081467755 1.0000 Fe Fe78 1.0 0.8833763629460015 0.6156927524501077 0.1161522998961218 1.0000 Fe Fe79 1.0 0.8833795906043778 0.6157042894336142 0.8837210946285682 1.0000 Fe Fe80 1.0 0.8842319303809923 0.8839492560868297 0.3849378950110489 1.0000 Fe Fe81 1.0 0.8842300445868976 0.8839865096374911 0.6149659147232057 1.0000 Co Co1 1.0 0.00015096978902636777 0.4999751019977056 0.49998100887475533 1.0000 Co Co2 1.0 0.5001283569932039 9.924665866466476e-06 0.4999722434179527 1.0000 Nb Nb1 1.0 0.24966541210493842 0.24950476210130168 0.25045778216401066 1.0000 Nb Nb2 1.0 0.24968676894902045 0.2494669400092336 0.7493689798748465 1.0000 Nb Nb3 1.0 0.24966273104919792 0.7502788160659424 0.2504973824621313 1.0000 Nb Nb4 1.0 0.24963386597041576 0.7503031917201828 0.7493730524732349 1.0000 Nb Nb5 1.0 0.7504910720829712 0.24947182803368292 0.25047516809032255 1.0000 Nb Nb6 1.0 0.7504624310673369 0.249495538437755 0.7493314400196974 1.0000 Nb Nb7 1.0 0.7504808733753361 0.7502911513603397 0.25048433903892187 1.0000 Nb Nb8 1.0 0.7504920851984482 0.7502525110497655 0.7493487652671252 1.0000 ``` ## Use it - Download: https://database.ouro.foundation/storage/v1/object/public/public-files/56c30e2b-9868-4313-8927-75459083649d/01a18534-c916-7a53-b31e-8aa918b0efb9.cif?v=1793236192759 - Over Ouro MCP: `download_asset(id="7be41a6f-c6e2-4dde-b608-c39dbd5e2915")` returns the file or a download link. - Find routes that take it: `get_compatible_routes(asset_id="7be41a6f-c6e2-4dde-b608-c39dbd5e2915")`, then pass it as `input_assets={"file": "7be41a6f-c6e2-4dde-b608-c39dbd5e2915"}`. - From Python: `ouro.files.retrieve("7be41a6f-c6e2-4dde-b608-c39dbd5e2915")`