Basic Information
Formula
Gd6CoBr10
MP-ID
mp-637600
Elements
3
Sites
17
Density
5.4391
g/cm³
Volume
549.99
ų
Cell a
7.3587
Å
Cell b
9.0619
Å
Cell c
9.2663
Å
α Angle
108.42
°
β Angle
97.25
°
γ Angle
105.43
°
Space Group
P-1
Point Group
-1
Crystal System
Triclinic
Bravais Lattice
aP
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 10.34 | 8.5561 | 61.7 | (0,0,1) |
| 10.88 | 8.1307 | 60.1 | (0,1,0) |
| 11.97 | 7.3967 | 23.1 | (0,1,-1) |
| 12.82 | 6.9033 | 22.5 | (1,0,0) |
| 13.87 | 6.3854 | 5.3 | (1,-1,0) |
| 14.52 | 6.1019 | 2.7 | (1,0,-1) |
| 16.70 | 5.3102 | 1.4 | (1,-1,1) |
| 17.58 | 5.0446 | 10.8 | (0,1,1) |
| 17.94 | 4.9442 | 3.0 | (1,-1,-1) |
| 18.27 | 4.8547 | 5.0 | (1,0,1) |
| 18.41 | 4.8191 | 10.9 | (1,1,-1) |
| 19.39 | 4.5789 | 2.6 | (1,1,0) |
| 20.48 | 4.3376 | 4.6 | (0,2,-1) |
| 20.76 | 4.2781 | 12.0 | (0,0,2) |
| 21.46 | 4.1408 | 8.3 | (1,-2,0) |
| 21.54 | 4.1257 | 8.1 | (1,-2,1) |
| 21.78 | 4.0808 | 1.7 | (1,0,-2) |
| 22.80 | 3.9001 | 6.7 | (1,1,-2) |
| 24.06 | 3.6983 | 3.5 | (0,2,-2) |
| 24.16 | 3.6830 | 6.4 | (1,-1,2) |
| 24.52 | 3.6299 | 5.4 | (2,-1,0) |
| 25.51 | 3.4917 | 6.8 | (2,0,-1) |
| 25.81 | 3.4517 | 1.0 | (2,0,0) |
| 25.92 | 3.4379 | 5.6 | (1,-1,-2) |
Energy Properties
Formation Energy/atom
-1.90719
eV/atom
Energy/atom
-8.25776
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.6679
eV/atom
Volume/atom
32.35
ų
c/a Ratio
1.2592
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
15.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.027270
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Br · 0.588
Element Family
N/A
Solute Fraction
0.412
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.605
Family
Br-rich Multi-Component
Matrix Element
Br · 0.588
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-637600
Reference Citation
The crystal structure and related material properties of Gd6CoBr10 were obtained from the Materials Project database (MP-ID: mp-637600, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_Gd6CoBr10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.35874174
_cell_length_b 9.06192775
_cell_length_c 9.26631787
_cell_angle_alpha 108.41760655
_cell_angle_beta 97.25187726
_cell_angle_gamma 105.43264813
_symmetry_Int_Tables_number 1
_chemical_formula_structural Gd6CoBr10
_chemical_formula_sum 'Gd6 Co1 Br10'
_cell_volume 549.98570505
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 '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
Gd Gd0 1 0.85994121 0.13583387 0.67850264 1.0
Gd Gd1 1 0.52961946 0.71303072 0.41139098 1.0
Gd Gd2 1 0.47038054 0.28696928 0.58860902 1.0
Gd Gd3 1 0.14005879 0.86416613 0.32149736 1.0
Gd Gd4 1 0.62598489 0.04711521 0.25123241 1.0
Gd Gd5 1 0.37401511 0.95288479 0.74876759 1.0
Co Co6 1 0.50000000 -0.00000000 0.50000000 1.0
Br Br7 1 0.41097360 0.62840135 0.67409743 1.0
Br Br8 1 0.75813429 0.08520226 0.95868855 1.0
Br Br9 1 0.24186571 0.91479774 0.04131145 1.0
Br Br10 1 0.95073371 0.81648030 0.58408884 1.0
Br Br11 1 0.29078319 0.26103446 0.85029578 1.0
Br Br12 1 0.70921681 0.73896554 0.14970422 1.0
Br Br13 1 0.04926629 0.18351970 0.41591116 1.0
Br Br14 1 0.58902640 0.37159865 0.32590257 1.0
Br Br15 1 0.85433066 0.46174336 0.77593489 1.0
Br Br16 1 0.14566934 0.53825664 0.22406511 1.0
