Basic Information
Formula
Gd2(Ga3Co)3
MP-ID
mp-866782
Elements
3
Sites
28
Density
8.5408
g/cm³
Volume
435.05
ų
Cell a
7.2944
Å
Cell b
7.2944
Å
Cell c
9.4128
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
119.70
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 14.04 | 6.3075 | 1.1 | (1,-1,0,0) |
| 16.87 | 5.2563 | 1.8 | (1,0,-1,1) |
| 23.59 | 3.7721 | 1.1 | (1,-1,0,2) |
| 24.29 | 3.6638 | 1.1 | (1,1,-2,0) |
| 24.41 | 3.6471 | 2.1 | (2,-1,-1,0) |
| 26.10 | 3.4143 | 6.0 | (1,1,-2,1) |
| 26.20 | 3.4008 | 12.8 | (2,-1,-1,1) |
| 28.17 | 3.1681 | 2.6 | (2,0,-2,0) |
| 28.30 | 3.1538 | 6.1 | (2,-2,0,0) |
| 29.75 | 3.0026 | 12.7 | (2,0,-2,1) |
| 30.93 | 2.8911 | 1.4 | (1,1,-2,2) |
| 31.02 | 2.8829 | 2.7 | (2,-1,-1,2) |
| 31.83 | 2.8118 | 1.3 | (1,0,-1,3) |
| 34.12 | 2.6281 | 3.9 | (2,0,-2,2) |
| 34.23 | 2.6199 | 9.7 | (2,-2,0,2) |
| 37.51 | 2.3980 | 8.1 | (2,1,-3,0) |
| 37.71 | 2.3856 | 6.5 | (3,-2,-1,0) |
| 37.75 | 2.3831 | 49.0 | (1,1,-2,3) |
| 37.82 | 2.3785 | 100.0 | (2,-1,-1,3) |
| 38.25 | 2.3532 | 26.4 | (0,0,0,4) |
| 38.75 | 2.3238 | 5.1 | (2,1,-3,1) |
| 38.87 | 2.3167 | 18.9 | (3,-1,-2,1) |
| 38.95 | 2.3125 | 2.6 | (3,-2,-1,1) |
| 40.46 | 2.2293 | 6.5 | (2,0,-2,3) |
Energy Properties
Formation Energy/atom
-0.47951
eV/atom
Energy/atom
-5.96561
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-16.8409
eV/atom
Volume/atom
15.54
ų
c/a Ratio
1.2904
Electronic Properties
Metallic
Non-metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-866782
Reference Citation
The crystal structure and related material properties of Gd2(Ga3Co)3 were obtained from the Materials Project database (MP-ID: mp-866782, 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_Gd2(Ga3Co)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.29437957
_cell_length_b 7.29437957
_cell_length_c 9.41279741
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.69871471
_symmetry_Int_Tables_number 1
_chemical_formula_structural Gd2(Ga3Co)3
_chemical_formula_sum 'Gd4 Ga18 Co6'
_cell_volume 435.04738943
_cell_formula_units_Z 2
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 0.00263884 0.33152504 0.25000000 1.0
Gd Gd1 1 0.99736116 0.66847496 0.75000000 1.0
Gd Gd2 1 0.66847496 0.99736116 0.75000000 1.0
Gd Gd3 1 0.33152504 0.00263884 0.25000000 1.0
Ga Ga4 1 0.66407727 0.45255530 0.25000000 1.0
Ga Ga5 1 0.33592273 0.54744470 0.75000000 1.0
Ga Ga6 1 0.54744470 0.33592273 0.75000000 1.0
Ga Ga7 1 0.45255530 0.66407727 0.25000000 1.0
Ga Ga8 1 0.12376667 0.12376667 0.75000000 1.0
Ga Ga9 1 0.87623333 0.87623333 0.25000000 1.0
Ga Ga10 1 0.66431272 0.66431272 0.55635475 1.0
Ga Ga11 1 0.33568728 0.33568728 0.05635475 1.0
Ga Ga12 1 0.33568728 0.33568728 0.44364525 1.0
Ga Ga13 1 0.66431272 0.66431272 0.94364525 1.0
Ga Ga14 1 0.00265546 0.33434351 0.56984034 1.0
Ga Ga15 1 0.99734454 0.66565649 0.06984034 1.0
Ga Ga16 1 0.66565649 0.99734454 0.43015966 1.0
Ga Ga17 1 0.33434351 0.00265546 0.93015966 1.0
Ga Ga18 1 0.99734454 0.66565649 0.43015966 1.0
Ga Ga19 1 0.00265546 0.33434351 0.93015966 1.0
Ga Ga20 1 0.33434351 0.00265546 0.56984034 1.0
Ga Ga21 1 0.66565649 0.99734454 0.06984034 1.0
Co Co22 1 -0.00000000 -0.00000000 0.50000000 1.0
Co Co23 1 -0.00000000 -0.00000000 0.00000000 1.0
Co Co24 1 0.67082084 0.32917916 0.50000000 1.0
Co Co25 1 0.32917916 0.67082084 0.00000000 1.0
Co Co26 1 0.32917916 0.67082084 0.50000000 1.0
Co Co27 1 0.67082084 0.32917916 0.00000000 1.0
