ErMg5
Traditional Materials TRAMP-ID: mp-1184297 · Space group: P-6m2 (#187)
Basic Information
Formula
ErMg5
MP-ID
mp-1184297
Elements
2
Sites
6
Density
3.2633
g/cm³
Volume
146.95
ų
Cell a
3.2572
Å
Cell b
3.2572
Å
Cell c
15.9935
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
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 |
|---|---|---|---|
| 5.53 | 15.9935 | 100.0 | (0,0,0,1) |
| 11.06 | 7.9967 | 24.8 | (0,0,0,2) |
| 16.63 | 5.3312 | 10.9 | (0,0,0,3) |
| 22.23 | 3.9984 | 6.1 | (0,0,0,4) |
| 27.89 | 3.1987 | 4.2 | (0,0,0,5) |
| 31.72 | 2.8208 | 12.9 | (1,0,-1,0) |
| 32.22 | 2.7779 | 13.2 | (1,0,-1,1) |
| 33.62 | 2.6656 | 8.5 | (0,0,0,6) |
| 33.69 | 2.6602 | 8.5 | (1,0,-1,2) |
| 33.69 | 2.6602 | 4.3 | (1,-1,0,2) |
| 36.02 | 2.4933 | 35.1 | (1,0,-1,3) |
| 39.08 | 2.3049 | 4.4 | (1,0,-1,4) |
| 39.08 | 2.3049 | 2.2 | (1,-1,0,4) |
| 42.74 | 2.1157 | 6.3 | (1,0,-1,5) |
| 46.90 | 1.9374 | 5.8 | (1,0,-1,6) |
| 46.90 | 1.9374 | 2.9 | (1,-1,0,6) |
| 51.47 | 1.7755 | 3.8 | (1,0,-1,7) |
| 56.41 | 1.6311 | 3.7 | (1,0,-1,8) |
| 56.51 | 1.6286 | 2.0 | (1,1,-2,0) |
| 56.51 | 1.6286 | 3.9 | (2,-1,-1,0) |
| 56.82 | 1.6202 | 1.7 | (2,-1,-1,1) |
| 57.77 | 1.5958 | 1.7 | (2,-1,-1,2) |
| 59.33 | 1.5576 | 2.4 | (2,-1,-1,3) |
| 61.48 | 1.5083 | 2.3 | (2,-1,-1,4) |
Energy Properties
Formation Energy/atom
0.05803
eV/atom
Energy/atom
-2.06198
eV/atom
Energy above Hull
0.0801
eV/atom
Uncorrected Energy
-2.0620
eV/atom
Volume/atom
24.49
ų
c/a Ratio
4.9102
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.2782
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.001890
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.833
Element Family
N/A
Solute Fraction
0.167
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.744
Family
Mg-based Alloy
Matrix Element
Mg · 0.833
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184297
Reference Citation
The crystal structure and related material properties of ErMg5 were obtained from the Materials Project database (MP-ID: mp-1184297, 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_ErMg5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25720365
_cell_length_b 3.25720365
_cell_length_c 15.99347100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999280
_symmetry_Int_Tables_number 1
_chemical_formula_structural ErMg5
_chemical_formula_sum 'Er1 Mg5'
_cell_volume 146.94784273
_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
Er Er0 1 0.66666700 0.33333300 0.50000000 1.0
Mg Mg1 1 0.00000000 0.00000000 0.67734900 1.0
Mg Mg2 1 0.66666700 0.33333300 0.83864900 1.0
Mg Mg3 1 0.00000000 0.00000000 0.00000000 1.0
Mg Mg4 1 0.66666700 0.33333300 0.16135100 1.0
Mg Mg5 1 0.00000000 0.00000000 0.32265100 1.0
