Pm2Mg
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-977264 · Space group: I4/mmm (#139)
Basic Information
Formula
Pm2Mg
MP-ID
mp-977264
Elements
2
Sites
3
Density
5.5975
g/cm³
Volume
93.24
ų
Cell a
3.8314
Å
Cell b
3.8314
Å
Cell c
6.9049
Å
α Angle
106.10
°
β Angle
106.10
°
γ Angle
90.04
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
Stability
No
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 |
|---|---|---|---|
| 13.94 | 6.3516 | 23.7 | (0,0,1) |
| 24.26 | 3.6682 | 38.1 | (0,1,-1) |
| 24.26 | 3.6682 | 38.1 | (1,0,-1) |
| 28.10 | 3.1758 | 24.0 | (0,0,2) |
| 31.49 | 2.8410 | 100.0 | (0,1,-2) |
| 31.49 | 2.8410 | 100.0 | (1,0,-2) |
| 33.05 | 2.7102 | 45.9 | (1,-1,0) |
| 33.08 | 2.7082 | 45.8 | (1,1,-1) |
| 36.03 | 2.4928 | 4.9 | (1,-1,1) |
| 36.05 | 2.4912 | 4.9 | (1,1,-2) |
| 42.71 | 2.1172 | 18.9 | (0,0,3) |
| 43.92 | 2.0616 | 7.2 | (1,-1,2) |
| 43.92 | 2.0616 | 7.2 | (1,-1,-2) |
| 43.94 | 2.0607 | 14.4 | (1,1,-3) |
| 47.46 | 1.9157 | 33.3 | (2,0,-1) |
| 49.71 | 1.8341 | 4.0 | (2,0,-2) |
| 53.98 | 1.6986 | 8.7 | (2,-1,-1) |
| 54.02 | 1.6976 | 8.7 | (2,1,-2) |
| 55.04 | 1.6685 | 9.0 | (1,-1,3) |
| 55.04 | 1.6685 | 9.0 | (1,-1,-3) |
| 55.06 | 1.6680 | 17.9 | (1,1,-4) |
| 56.06 | 1.6404 | 7.1 | (0,2,-3) |
| 56.06 | 1.6404 | 7.1 | (2,0,-3) |
| 56.08 | 1.6401 | 10.2 | (0,1,-4) |
Energy Properties
Formation Energy/atom
-0.04206
eV/atom
Energy/atom
-3.75258
eV/atom
Energy above Hull
0.0180
eV/atom
Uncorrected Energy
-21.1502
eV/atom
Volume/atom
31.08
ų
c/a Ratio
1.8022
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.6181
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.006630
μB/ų
Elastic Properties
KVRH
36.536
GPa
GVRH
16.610
GPa
Young's Modulus E
43.272
GPa
Poisson Ratio ν
0.303
Pugh Ratio K/G
2.200
Vickers Hardness Est.
1.115
GPa
Ductility
Brittle
Anisotropy
7.640
Lame λ
25.463
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pm · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.691
Family
Binary Alloy
Matrix Element
Pm · 0.667
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
7.6400
Homogeneous Poisson ν
0.3030
Debye Temperature
427.7
K
Sound Velocity
1,924.8
m/s
Homogeneity
0.3030
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-977264
Reference Citation
The crystal structure and related material properties of Pm2Mg were obtained from the Materials Project database (MP-ID: mp-977264, 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_Pm2Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.83142016
_cell_length_b 3.83142016
_cell_length_c 6.90490750
_cell_angle_alpha 106.09550321
_cell_angle_beta 106.09548445
_cell_angle_gamma 90.04186615
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pm2Mg
_chemical_formula_sum 'Pm2 Mg1'
_cell_volume 93.24052864
_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
Pm Pm0 1 0.09479238 0.92812538 0.02291975 1.0
Pm Pm1 1 0.40520762 0.23854162 0.64374725 1.0
Mg Mg2 1 0.75000000 0.58333400 0.33333400 1.0
