Basic Information
Formula
ErGa2Ni
MP-ID
mp-1025508
Elements
3
Sites
8
Density
9.1400
g/cm³
Volume
132.77
ų
Cell a
4.0806
Å
Cell b
5.3614
Å
Cell c
6.5625
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
112.37
°
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 |
|---|---|---|---|
| 22.48 | 3.9559 | 15.8 | (0,1,1) |
| 23.58 | 3.7736 | 14.2 | (1,-1,0) |
| 23.58 | 3.7736 | 14.2 | (1,0,0) |
| 27.18 | 3.2813 | 25.9 | (0,0,2) |
| 27.26 | 3.2713 | 8.7 | (1,-1,1) |
| 27.26 | 3.2713 | 8.7 | (1,0,1) |
| 32.73 | 2.7363 | 11.0 | (0,1,2) |
| 34.93 | 2.5684 | 28.2 | (1,-2,0) |
| 36.24 | 2.4790 | 18.2 | (0,2,0) |
| 36.28 | 2.4761 | 100.0 | (1,-1,2) |
| 36.28 | 2.4761 | 100.0 | (1,0,2) |
| 37.61 | 2.3918 | 86.8 | (1,-2,1) |
| 37.61 | 2.3918 | 86.8 | (1,1,1) |
| 38.83 | 2.3190 | 83.0 | (0,2,1) |
| 44.40 | 2.0403 | 72.3 | (2,-1,0) |
| 44.81 | 2.0225 | 13.2 | (1,-2,2) |
| 44.81 | 2.0225 | 13.2 | (1,1,2) |
| 45.31 | 2.0014 | 47.4 | (0,1,3) |
| 45.88 | 1.9780 | 7.9 | (0,2,2) |
| 48.08 | 1.8925 | 11.8 | (1,-1,3) |
| 50.32 | 1.8133 | 2.0 | (2,-2,1) |
| 50.32 | 1.8133 | 2.0 | (2,0,1) |
| 52.84 | 1.7327 | 8.3 | (2,-1,2) |
| 53.22 | 1.7212 | 4.0 | (1,-3,1) |
Energy Properties
Formation Energy/atom
-0.65539
eV/atom
Energy/atom
-4.75640
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-17.8996
eV/atom
Volume/atom
16.60
ų
c/a Ratio
1.6082
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ga · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.469
Family
Ga-rich Multi-Component
Matrix Element
Ga · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1025508
Reference Citation
The crystal structure and related material properties of ErGa2Ni were obtained from the Materials Project database (MP-ID: mp-1025508, 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_ErGa2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08059989
_cell_length_b 5.36135505
_cell_length_c 6.56253921
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 112.36818623
_symmetry_Int_Tables_number 1
_chemical_formula_structural ErGa2Ni
_chemical_formula_sum 'Er2 Ga4 Ni2'
_cell_volume 132.76950843
_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
Er Er0 1 0.42683725 0.85367351 0.25000000 1.0
Er Er1 1 0.57316275 0.14632649 0.75000000 1.0
Ga Ga2 1 0.14281121 0.28562143 0.05408631 1.0
Ga Ga3 1 0.85718879 0.71437857 0.94591369 1.0
Ga Ga4 1 0.85718879 0.71437857 0.55408631 1.0
Ga Ga5 1 0.14281121 0.28562143 0.44591369 1.0
Ni Ni6 1 0.70962711 0.41925222 0.25000000 1.0
Ni Ni7 1 0.29037289 0.58074778 0.75000000 1.0
