Ho3Tm
Traditional Materials TRAMP-ID: mp-982619 · Space group: P6_3/mmc (#194)
Basic Information
Formula
Ho3Tm
MP-ID
mp-982619
Elements
2
Sites
8
Density
8.8721
g/cm³
Volume
248.45
ų
Cell a
7.1990
Å
Cell b
7.1990
Å
Cell c
5.5356
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
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 |
|---|---|---|---|
| 28.64 | 3.1173 | 12.0 | (2,-2,0,0) |
| 28.64 | 3.1173 | 12.0 | (2,0,-2,0) |
| 28.64 | 3.1173 | 12.0 | (0,2,-2,0) |
| 32.35 | 2.7678 | 35.1 | (0,0,0,2) |
| 32.98 | 2.7162 | 50.0 | (2,-2,0,1) |
| 32.98 | 2.7162 | 100.0 | (2,0,-2,1) |
| 43.74 | 2.0697 | 7.7 | (2,-2,0,2) |
| 43.74 | 2.0697 | 15.4 | (2,0,-2,2) |
| 50.73 | 1.7998 | 20.0 | (4,-2,-2,0) |
| 50.73 | 1.7998 | 10.0 | (2,2,-4,0) |
| 58.09 | 1.5879 | 30.0 | (2,0,-2,3) |
| 59.29 | 1.5586 | 1.6 | (4,-4,0,0) |
| 59.29 | 1.5586 | 3.1 | (4,0,-4,0) |
| 61.45 | 1.5088 | 11.3 | (4,-2,-2,2) |
| 61.45 | 1.5088 | 11.3 | (2,-4,2,2) |
| 61.45 | 1.5088 | 11.3 | (2,2,-4,2) |
| 61.84 | 1.5003 | 8.3 | (4,-4,0,1) |
| 61.84 | 1.5003 | 16.6 | (4,0,-4,1) |
| 67.71 | 1.3839 | 4.2 | (0,0,0,4) |
| 69.17 | 1.3581 | 2.0 | (4,-4,0,2) |
| 69.17 | 1.3581 | 4.0 | (4,0,-4,2) |
| 75.11 | 1.2649 | 4.7 | (2,0,-2,4) |
| 80.70 | 1.1907 | 3.9 | (4,-4,0,3) |
| 80.70 | 1.1907 | 7.8 | (4,0,-4,3) |
Energy Properties
Formation Energy/atom
0.00235
eV/atom
Energy/atom
-33.43892
eV/atom
Energy above Hull
0.0089
eV/atom
Uncorrected Energy
-33.4389
eV/atom
Volume/atom
31.06
ų
c/a Ratio
0.7689
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
Ho · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.635
Family
Binary Alloy
Matrix Element
Ho · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-982619
Reference Citation
The crystal structure and related material properties of Ho3Tm were obtained from the Materials Project database (MP-ID: mp-982619, 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_Ho3Tm
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19903045
_cell_length_b 7.19903013
_cell_length_c 5.53560358
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00002933
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho3Tm
_chemical_formula_sum 'Ho6 Tm2'
_cell_volume 248.45256597
_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
Ho Ho0 1 0.16687119 0.33374238 0.25000100 1.0
Ho Ho1 1 0.66625862 0.83312881 0.25000100 1.0
Ho Ho2 1 0.16687019 0.83312881 0.25000100 1.0
Ho Ho3 1 0.83312881 0.66625762 0.75000100 1.0
Ho Ho4 1 0.33374138 0.16687119 0.75000100 1.0
Ho Ho5 1 0.83312881 0.16687119 0.75000100 1.0
Tm Tm6 1 0.33333400 0.66666700 0.75000100 1.0
Tm Tm7 1 0.66666700 0.33333300 0.25000100 1.0
