--- title: "LOWHULL-20261017-intergrowth94_onhull_B2_Co2_axis-b837c6819ab9" description: "Orb-relaxed Fe60 Co2 B32 candidate for the tetragonal low-hull search. CIF SHA256 b837c6819ab94c509d1cfac845d27e1f766b7c1110aababc7ae6226081ead275. Novelty, magnetic suitability and hull outcome are under investigation. ML screening, not DFT." url: "https://ouro.foundation/files/ghost/lowhull-20261017-intergrowth94-onhull-b2-co2-axis-b837c6819ab9" id: "84dd41a6-6af8-492a-83cb-829a63363f43" type: "file" --- # LOWHULL-20261017-intergrowth94_onhull_B2_Co2_axis-b837c6819ab9 File by @will in #tetragonal-prototype-screening (ghost) · .cif · 8.8 KB · Fe30CoB16 - Asset id: `84dd41a6-6af8-492a-83cb-829a63363f43` - Page: https://ouro.foundation/files/ghost/lowhull-20261017-intergrowth94-onhull-b2-co2-axis-b837c6819ab9 Orb-relaxed Fe60 Co2 B32 candidate for the tetragonal low-hull search. CIF SHA256 b837c6819ab94c509d1cfac845d27e1f766b7c1110aababc7ae6226081ead275. Novelty, magnetic suitability and hull outcome are under investigation. ML screening, not DFT. ## Structure - Formula: Fe30CoB16 - Space group: P4/mbm (#127) - Lattice: a 5.0831, b 5.0831, c 32.7145 Å; α 90, β 90, γ 90° - Atoms in the cell: 94 - Volume: 845.267 ų - Density: 7.494 g/cm³ ## Contents ```cif data_image0 _chemical_formula_structural B32Fe60Co2 _chemical_formula_sum "B32 Fe60 Co2" _cell_length_a 5.083104615163661 _cell_length_b 5.083058652384686 _cell_length_c 32.7144743047 _cell_angle_alpha 90.00126427906352 _cell_angle_beta 90.00096220518616 _cell_angle_gamma 89.99697929277534 _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 0.999596153985248 0.9999650938943672 0.1264221963015637 1.0000 B B2 1.0 0.9996270724170329 0.9999507052910909 0.19131596804946494 1.0000 B B3 1.0 0.9996424309741802 0.9999812850277824 0.25572746627008947 1.0000 B B4 1.0 0.9996418119161841 0.9999834874856148 0.32011831681567754 1.0000 B B5 1.0 0.9996816378416014 0.9999699597157523 0.3846476646906348 1.0000 B B6 1.0 0.9997193652510202 0.9999874747396228 0.449024593551395 1.0000 B B7 1.0 0.9997308364922756 0.9999734700515831 0.5135560720507438 1.0000 B B8 1.0 0.9997509122272786 0.9999904379614714 0.5779536241700959 1.0000 B B9 1.0 0.9997309245069622 0.999958135608399 0.6423989208237456 1.0000 B B10 1.0 0.9997232532799043 0.9999400108206375 0.7068698224425315 1.0000 B B11 1.0 0.9997037761960317 0.999908601725706 0.7712738135076977 1.0000 B B12 1.0 0.9996790039677548 0.9999166940364399 0.8358067612405391 1.0000 B B13 1.0 0.9996544439370045 0.9998796852483234 0.9000595327244242 1.0000 B B14 1.0 0.9995664510254392 0.9999165637091251 0.9651706056772484 1.0000 B B15 1.0 0.12223975639170623 0.3773004418696222 0.045764688723323455 1.0000 B B16 1.0 0.37688771670521803 0.877291331095593 0.04577095312762498 1.0000 B B17 1.0 0.49960194056004903 0.5000051509186134 0.12630039385781533 1.0000 B B18 1.0 0.4995940382758715 0.49996010680063363 0.19141844612225467 1.0000 B B19 1.0 0.4996320338749519 0.49997153305547076 0.2556425284999652 1.0000 B B20 1.0 0.49963833677409025 0.4999731053850111 0.32021612277041384 1.0000 B B21 1.0 0.49967143513217405 0.49999069162981497 0.3845806191738858 1.0000 B B22 1.0 0.49970279074314033 0.49997398010910343 0.4491178082029217 1.0000 B B23 1.0 0.49972810855449484 0.4999788551723812 0.5134840242122705 1.0000 B B24 1.0 0.49973207198617736 0.4999511368512706 0.5779827247021868 1.0000 B B25 1.0 0.49973002973087305 0.4999711514775283 0.6424185426293805 1.0000 B B26 1.0 0.49971820789183974 0.4999308229835859 0.7068387790305538 1.0000 B B27 1.0 0.49970947248425257 0.49992747793487263 0.7713081028320803 1.0000 B B28 1.0 0.4996547066909745 0.49986742019421404 0.8357635043386015 1.0000 B B29 1.0 0.4996190675710107 0.49989554196409985 0.9001285463088221 1.0000 B B30 1.0 0.49962712920080893 0.4999142980951637 0.9650336037177266 1.0000 B B31 1.0 0.6222461186239137 0.12251789427325427 0.04576321242799894 1.0000 B B32 1.0 0.876932334194924 0.6226290061267863 0.04575327418807307 1.0000 Fe Fe1 1.0 0.17023185124656687 0.6708036987408285 0.09424205217801351 1.0000 Fe Fe2 1.0 0.16623932151876172 0.33352931428858107 0.15890753309978922 1.0000 Fe Fe3 1.0 0.16609849116080258 0.33319243927674463 0.9325807998259074 1.0000 Fe Fe4 1.0 0.16592117833312728 0.6663774474256882 0.22343243082639808 1.0000 Fe Fe5 1.0 0.1660410371044655 0.3334998004701489 0.8035339667208661 1.0000 Fe Fe6 1.0 0.16599259873803537 0.666383791677295 0.3523871308072211 1.0000 Fe Fe7 1.0 0.16603564628775414 0.6663822102113173 0.48129259823596576 1.0000 Fe Fe8 1.0 0.16608887491933647 0.3335370364292364 0.6746424366004734 1.0000 Fe Fe9 1.0 0.16612947131393838 0.6663083907101573 0.6101832936171933 1.0000 Fe Fe10 1.0 0.16615701342112452 0.33362897107219835 0.5457487537502922 1.0000 Fe Fe11 1.0 0.16613874296155523 0.6662370912070019 0.7390815617566167 1.0000 Fe Fe12 1.0 0.16614917436220633 0.3336380510262687 0.4168450174486072 1.0000 Fe Fe13 1.0 0.16609460267556841 0.333668915938887 0.28793662124443964 1.0000 Fe Fe14 1.0 0.16607374332652794 0.6661736611886546 0.868038097962175 1.0000 Fe Fe15 1.0 0.17048561251670213 0.6706284997795622 0.997262992693857 1.0000 Fe Fe16 1.0 0.32868857008658714 0.1706285005867989 0.09424359638265509 1.0000 Fe Fe17 1.0 0.3331662194291988 0.8333066338400592 0.15891546510638954 1.0000 Fe Fe18 1.0 0.33296978293369295 0.8333775832172411 0.9325787481706544 1.0000 Fe Fe19 1.0 0.3289345127470822 0.1708268247424725 0.9972646524181554 1.0000 Fe Fe20 1.0 0.33317068850660136 0.1662394084923208 0.2234340943392403 1.0000 Fe Fe21 1.0 0.3332700009297239 0.8334930865719068 0.8035425195999947 1.0000 Fe Fe22 1.0 0.333218310686985 0.16627820495738363 0.3523920730319361 1.0000 Fe Fe23 1.0 0.3333204767467319 0.8335519770281394 0.6746393687115514 1.0000 Fe Fe24 1.0 0.33327174675797683 0.16627238671144995 0.4812988561869206 1.0000 Fe Fe25 1.0 0.3333811557476341 0.8335276839767112 0.5457460466279317 1.0000 Fe Fe26 1.0 0.33337552030209244 0.166304904078744 0.6101935627395304 1.0000 Fe Fe27 1.0 0.3333553392544382 0.8335112825203684 0.4168433663240139 1.0000 Fe Fe28 1.0 0.3333618123070151 0.1662918493431112 0.7390843612748563 1.0000 Fe Fe29 1.0 0.3333222105021909 0.8334949444145509 0.2879389274495246 1.0000 Fe Fe30 1.0 0.33333698264351086 0.16627624124545665 0.868042380794543 1.0000 Fe Fe31 1.0 0.666021575144491 0.8334845351080518 0.8680440191090059 1.0000 Fe Fe32 1.0 0.6659683728694796 0.16639282092581684 0.28792796228297546 1.0000 Fe Fe33 1.0 0.6660944185214351 0.8335183635174608 0.7390857690976507 1.0000 Fe Fe34 1.0 0.6660561738782534 0.16639492857640314 0.4168365539663299 1.0000 Fe Fe35 1.0 0.6661332111115543 0.833592352840407 0.6101921082438068 1.0000 Fe Fe36 1.0 0.6660862896157383 0.16634148988617603 0.5457412976762401 1.0000 Fe Fe37 1.0 0.6661749854420596 0.8336530288849417 0.48129572942570037 1.0000 Fe Fe38 1.0 0.6661470352624448 0.1662481544267704 0.6746298963592556 1.0000 Fe Fe39 1.0 0.6661256946210073 0.8336544009436491 0.35239114120772463 1.0000 Fe Fe40 1.0 0.6661142466946095 0.1662164011245367 0.8035273942068079 1.0000 Fe Fe41 1.0 0.6660909759644984 0.8336785739719482 0.22343521606910663 1.0000 Fe Fe42 1.0 0.6703214075358784 0.8289520482277621 0.9972659109522735 1.0000 Fe Fe43 1.0 0.666316999168703 0.16637328251085692 0.932576332243633 1.0000 Fe Fe44 1.0 0.6660743160928021 0.16655183794177128 0.1588958934377099 1.0000 Fe Fe45 1.0 0.6705309757706174 0.8291545260878427 0.09423264250887321 1.0000 Fe Fe46 1.0 0.8286689844045405 0.32916589043577815 0.9972632518569389 1.0000 Fe Fe47 1.0 0.8332298201056884 0.3334966761773971 0.8680426974046822 1.0000 Fe Fe48 1.0 0.8331843190479358 0.6662607560858088 0.2879396274488679 1.0000 Fe Fe49 1.0 0.8332533002965355 0.6662854787117195 0.41684416239643307 1.0000 Fe Fe50 1.0 0.8333277216314997 0.33353015280921006 0.7390834824306861 1.0000 Fe Fe51 1.0 0.8333230225320919 0.6662900688374896 0.5457443276259794 1.0000 Fe Fe52 1.0 0.8333562052047943 0.33355430215797227 0.610195332823012 1.0000 Fe Fe53 1.0 0.8333681752414367 0.6663215641143675 0.6746357086514955 1.0000 Fe Fe54 1.0 0.8333790324285832 0.33350717705286315 0.4812953444400124 1.0000 Fe Fe55 1.0 0.8333194830530325 0.3334911884826525 0.3523916093133941 1.0000 Fe Fe56 1.0 0.8333110022936311 0.6662899843940336 0.8035418545657081 1.0000 Fe Fe57 1.0 0.8333125179735942 0.3334632955436621 0.22343138867715054 1.0000 Fe Fe58 1.0 0.833087193809549 0.6664849522746026 0.93258385772612 1.0000 Fe Fe59 1.0 0.8329760223582642 0.6663621577943921 0.1589114297008116 1.0000 Fe Fe60 1.0 0.8288233134135382 0.3289918640733209 0.0942344002444787 1.0000 Co Co1 1.0 0.9996510876938292 3.353096583514614e-05 0.04572562399607762 1.0000 Co Co2 1.0 0.49958415572935705 0.5000029223350513 0.04578088564205977 1.0000 ``` ## Use it - Download: https://database.ouro.foundation/storage/v1/object/public/public-files/56c30e2b-9868-4313-8927-75459083649d/01a14ccb-3984-703c-a812-60f2871e4b09.cif?v=1792289750424 - Over Ouro MCP: `download_asset(id="84dd41a6-6af8-492a-83cb-829a63363f43")` returns the file or a download link. - Find routes that take it: `get_compatible_routes(asset_id="84dd41a6-6af8-492a-83cb-829a63363f43")`, then pass it as `input_assets={"file": "84dd41a6-6af8-492a-83cb-829a63363f43"}`. - From Python: `ouro.files.retrieve("84dd41a6-6af8-492a-83cb-829a63363f43")`