Pm5Mg
Traditional Materials TRAMP-ID: mp-977250 · Space group: Amm2 (#38)
Basic Information
Formula
Pm5Mg
MP-ID
mp-977250
Elements
2
Sites
6
Density
6.3025
g/cm³
Volume
197.42
ų
Cell a
9.3355
Å
Cell b
9.3355
Å
Cell c
5.8226
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
157.10
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 9.67 | 9.1498 | 7.4 | (1,-1,0) |
| 15.22 | 5.8226 | 4.6 | (0,0,1) |
| 18.06 | 4.9123 | 5.7 | (1,-1,1) |
| 19.40 | 4.5749 | 3.6 | (2,-2,0) |
| 24.51 | 3.6320 | 3.3 | (1,0,0) |
| 24.75 | 3.5973 | 5.2 | (2,-2,1) |
| 28.18 | 3.1671 | 16.1 | (2,-1,0) |
| 28.98 | 3.0816 | 4.7 | (1,0,1) |
| 29.28 | 3.0499 | 17.1 | (3,-3,0) |
| 30.71 | 2.9113 | 34.0 | (0,0,2) |
| 32.17 | 2.7821 | 100.0 | (2,-1,1) |
| 33.16 | 2.7017 | 31.3 | (3,-3,1) |
| 36.59 | 2.4562 | 1.5 | (2,-2,2) |
| 39.68 | 2.2716 | 1.9 | (1,0,2) |
| 42.16 | 2.1433 | 10.9 | (2,-1,2) |
| 42.31 | 2.1362 | 2.1 | (4,-3,0) |
| 42.95 | 2.1059 | 12.1 | (3,-3,2) |
| 45.21 | 2.0055 | 1.4 | (4,-3,1) |
| 49.17 | 1.8528 | 9.2 | (1,1,0) |
| 51.25 | 1.7826 | 14.3 | (5,-4,0) |
| 52.41 | 1.7458 | 1.5 | (5,-5,1) |
| 53.18 | 1.7223 | 2.2 | (4,-3,2) |
| 53.78 | 1.7045 | 3.0 | (5,-4,1) |
| 55.53 | 1.6549 | 21.2 | (2,-1,3) |
Energy Properties
Formation Energy/atom
0.04165
eV/atom
Energy/atom
-4.18888
eV/atom
Energy above Hull
0.0717
eV/atom
Uncorrected Energy
-4.1889
eV/atom
Volume/atom
32.90
ų
c/a Ratio
0.6237
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.2278
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.001150
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pm · 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
0.665
Family
Binary Alloy
Matrix Element
Pm · 0.833
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-977250
Reference Citation
The crystal structure and related material properties of Pm5Mg were obtained from the Materials Project database (MP-ID: mp-977250, 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_Pm5Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.33546075
_cell_length_b 9.33546075
_cell_length_c 5.82263300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 157.10467950
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pm5Mg
_chemical_formula_sum 'Pm5 Mg1'
_cell_volume 197.42171270
_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 0.00573600 0.99426400 0.00000000 1.0
Pm Pm1 1 0.67468300 0.32531700 0.00000000 1.0
Pm Pm2 1 0.33470400 0.66529600 0.00000000 1.0
Pm Pm3 1 0.55453300 0.44546700 0.50000000 1.0
Pm Pm4 1 0.87857700 0.12142300 0.50000000 1.0
Mg Mg5 1 0.21843300 0.78156700 0.50000000 1.0
