TmMg2
Traditional Materials TRAMP-ID: mp-981212 · Space group: P6/mmm (#191)
Basic Information
Formula
TmMg2
MP-ID
mp-981212
Elements
2
Sites
3
Density
4.7716
g/cm³
Volume
75.71
ų
Cell a
3.2758
Å
Cell b
5.1657
Å
Cell c
5.1660
Å
α Angle
120.00
°
β Angle
90.03
°
γ Angle
90.00
°
Space Group
P6/mmm
Point Group
6/mmm
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 |
|---|---|---|---|
| 19.84 | 4.4739 | 99.1 | (0,0,0,1) |
| 19.85 | 4.4737 | 99.3 | (0,1,-1,0) |
| 19.85 | 4.4737 | 99.3 | (0,1,-1,-1) |
| 27.22 | 3.2758 | 30.9 | (1,0,-1,0) |
| 33.91 | 2.6438 | 50.1 | (1,0,-1,-1) |
| 33.91 | 2.6434 | 48.6 | (1,-1,0,0) |
| 33.91 | 2.6434 | 48.6 | (1,1,-2,-1) |
| 33.92 | 2.6426 | 100.0 | (1,1,-2,0) |
| 33.93 | 2.6423 | 48.6 | (1,0,-1,1) |
| 34.73 | 2.5830 | 59.5 | (0,1,-1,1) |
| 34.73 | 2.5830 | 59.5 | (0,1,-1,-2) |
| 34.73 | 2.5829 | 59.5 | (0,2,-2,-1) |
| 40.32 | 2.2370 | 16.7 | (0,0,0,2) |
| 40.32 | 2.2369 | 16.6 | (0,2,-2,0) |
| 40.32 | 2.2369 | 16.6 | (0,2,-2,-2) |
| 44.67 | 2.0288 | 16.9 | (1,-1,0,-1) |
| 44.68 | 2.0282 | 16.9 | (1,2,-3,-1) |
| 44.69 | 2.0278 | 8.4 | (1,1,-2,1) |
| 44.69 | 2.0278 | 8.4 | (1,-1,0,2) |
| 49.32 | 1.8478 | 16.9 | (1,0,-1,-2) |
| 49.33 | 1.8475 | 17.5 | (1,-2,1,0) |
| 49.33 | 1.8475 | 17.5 | (1,2,-3,-2) |
| 49.34 | 1.8470 | 17.0 | (1,2,-3,0) |
| 49.34 | 1.8470 | 17.0 | (1,-2,1,2) |
Energy Properties
Formation Energy/atom
-0.04164
eV/atom
Energy/atom
-14.52820
eV/atom
Energy above Hull
0.0217
eV/atom
Uncorrected Energy
-14.5282
eV/atom
Volume/atom
25.24
ų
c/a Ratio
1.5770
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
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 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
0.773
Family
Mg-based Alloy
Matrix Element
Mg · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-981212
Reference Citation
The crystal structure and related material properties of TmMg2 were obtained from the Materials Project database (MP-ID: mp-981212, 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_TmMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27576305
_cell_length_b 5.16573911
_cell_length_c 5.16597139
_cell_angle_alpha 119.99849314
_cell_angle_beta 90.02924456
_cell_angle_gamma 89.99999994
_symmetry_Int_Tables_number 1
_chemical_formula_structural TmMg2
_chemical_formula_sum 'Tm1 Mg2'
_cell_volume 75.70666163
_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
Tm Tm0 1 0.66666600 0.41666700 0.66666700 1.0
Mg Mg1 1 0.16162223 0.08352329 0.00038259 1.0
Mg Mg2 1 0.17170977 0.74980871 0.33295241 1.0
