25 files0 folders34.2 kB

Columns for the archive contents
Name	Type	Size

Files and folders contained in this archive
	Folder	—
001_B2Fe4_0meV.cif	CIF	974 B
002_B4Fe8_0meV.cif	CIF	974 B
003_B2Fe7_38meV.cif	CIF	1.1 kB
004_B2Fe10_40meV.cif	CIF	1.3 kB
005_B2Fe5_49meV.cif	CIF	1.0 kB
006_BFe19_62meV.cif	CIF	1.7 kB
007_B4Fe12_62meV.cif	CIF	1.1 kB
008_B2Fe11_66meV.cif	CIF	1.4 kB
009_BFe17_69meV.cif	CIF	1.6 kB
010_B2Fe17_76meV.cif	CIF	1.7 kB
011_BFe18_76meV.cif	CIF	1.7 kB
012_BFe15_77meV.cif	CIF	1.5 kB
013_B4Fe14_79meV.cif	CIF	1.6 kB
014_B6Fe10_81meV.cif	CIF	1.5 kB
015_B2Fe16_82meV.cif	CIF	1.6 kB
016_BFe14_83meV.cif	CIF	1.5 kB
017_B3Fe8_83meV.cif	CIF	1.2 kB
018_B3Fe14_83meV.cif	CIF	1.6 kB
019_BFe8_85meV.cif	CIF	1.1 kB
020_B2Fe3_88meV.cif	CIF	920 B
021_B2Fe13_90meV.cif	CIF	1.5 kB
022_B3Fe13_91meV.cif	CIF	1.5 kB
023_BFe10_102meV.cif	CIF	1.2 kB
024_B5Fe12_103meV.cif	CIF	1.6 kB
025_B4Fe7_103meV.cif	CIF	1.2 kB

Aug 1

GGen candidate CIFs for B-Fe 1

Name: GGen candidate CIFs for B-Fe 1
Creator: mmoderwell
Published: 2026-08-01T20:27:16.054+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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25 files0 folders34.2 kB

Columns for the archive contents
Name	Type	Size

Files and folders contained in this archive
	Folder	—
001_B2Fe4_0meV.cif	CIF	974 B
002_B4Fe8_0meV.cif	CIF	974 B
003_B2Fe7_38meV.cif	CIF	1.1 kB
004_B2Fe10_40meV.cif	CIF	1.3 kB
005_B2Fe5_49meV.cif	CIF	1.0 kB
006_BFe19_62meV.cif	CIF	1.7 kB
007_B4Fe12_62meV.cif	CIF	1.1 kB
008_B2Fe11_66meV.cif	CIF	1.4 kB
009_BFe17_69meV.cif	CIF	1.6 kB
010_B2Fe17_76meV.cif	CIF	1.7 kB
011_BFe18_76meV.cif	CIF	1.7 kB
012_BFe15_77meV.cif	CIF	1.5 kB
013_B4Fe14_79meV.cif	CIF	1.6 kB
014_B6Fe10_81meV.cif	CIF	1.5 kB
015_B2Fe16_82meV.cif	CIF	1.6 kB
016_BFe14_83meV.cif	CIF	1.5 kB
017_B3Fe8_83meV.cif	CIF	1.2 kB
018_B3Fe14_83meV.cif	CIF	1.6 kB
019_BFe8_85meV.cif	CIF	1.1 kB
020_B2Fe3_88meV.cif	CIF	920 B
021_B2Fe13_90meV.cif	CIF	1.5 kB
022_B3Fe13_91meV.cif	CIF	1.5 kB
023_BFe10_102meV.cif	CIF	1.2 kB
024_B5Fe12_103meV.cif	CIF	1.6 kB
025_B4Fe7_103meV.cif	CIF	1.2 kB

Overview

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GGen exploration results for B-Fe
GGen ran 1,360 trials across 68 B-Fe stoichiometries in 22.2 min, keeping 1,297 relaxed structures. 39 of them landed within 150 meV/atom of the convex hull, 37 of which the database had not seen before. The leading generated candidate is B2Fe4 in I4/mcm (#140), which sits on the hull (known).

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ARR license

Selected stable or near-hull GGen candidates as CIF files

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Size: 17.14 KB
Type: .zip file
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Connections

1

Referenced by

GGen exploration results for B-Fe
GGen ran 1,360 trials across 68 B-Fe stoichiometries in 22.2 min, keeping 1,297 relaxed structures. 39 of them landed within 150 meV/atom of the convex hull, 37 of which the database had not seen before. The leading generated candidate is B2Fe4 in I4/mcm (#140), which sits on the hull (known).

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