PmHo
Traditional Materials TRAMP-ID: mp-973796 · Space group: P-6m2 (#187)
Basic Information
Formula
PmHo
MP-ID
mp-973796
Elements
2
Sites
2
Density
7.5917
g/cm³
Volume
67.79
ų
Cell a
3.6525
Å
Cell b
3.6525
Å
Cell c
5.8677
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 |
|---|---|---|---|
| 15.10 | 5.8677 | 1.2 | (0,0,0,1) |
| 28.21 | 3.1632 | 30.7 | (1,-1,0,0) |
| 28.21 | 3.1631 | 30.7 | (1,0,-1,0) |
| 28.21 | 3.1631 | 30.7 | (0,1,-1,0) |
| 30.47 | 2.9339 | 100.0 | (0,0,0,2) |
| 32.15 | 2.7844 | 65.2 | (1,-1,0,1) |
| 32.15 | 2.7843 | 65.2 | (1,-1,0,-1) |
| 32.15 | 2.7843 | 65.2 | (1,0,-1,1) |
| 32.15 | 2.7843 | 65.2 | (0,1,-1,-1) |
| 32.15 | 2.7843 | 65.2 | (1,0,-1,-1) |
| 32.15 | 2.7843 | 65.2 | (0,1,-1,1) |
| 42.00 | 2.1511 | 10.6 | (1,-1,0,2) |
| 42.00 | 2.1511 | 10.5 | (1,0,-1,2) |
| 42.00 | 2.1511 | 10.5 | (0,1,-1,-2) |
| 42.00 | 2.1510 | 10.5 | (1,-1,0,-2) |
| 42.00 | 2.1510 | 10.6 | (1,0,-1,-2) |
| 42.00 | 2.1510 | 10.6 | (0,1,-1,2) |
| 49.94 | 1.8263 | 25.4 | (2,-1,-1,0) |
| 49.94 | 1.8263 | 25.4 | (1,-2,1,0) |
| 49.94 | 1.8262 | 25.4 | (1,1,-2,0) |
| 55.21 | 1.6636 | 14.1 | (1,-1,0,3) |
| 55.22 | 1.6636 | 14.1 | (1,0,-1,3) |
| 55.22 | 1.6636 | 14.1 | (0,1,-1,-3) |
| 55.22 | 1.6636 | 14.1 | (1,0,-1,-3) |
Energy Properties
Formation Energy/atom
0.01855
eV/atom
Energy/atom
-31.19243
eV/atom
Energy above Hull
0.0186
eV/atom
Uncorrected Energy
-31.1924
eV/atom
Volume/atom
33.90
ų
c/a Ratio
1.6065
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.1573
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.017070
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pm · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.532
Family
Binary Alloy
Matrix Element
Pm · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-973796
Reference Citation
The crystal structure and related material properties of PmHo were obtained from the Materials Project database (MP-ID: mp-973796, 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_PmHo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.65251120
_cell_length_b 3.65249554
_cell_length_c 5.86773711
_cell_angle_alpha 90.00191768
_cell_angle_beta 89.99815779
_cell_angle_gamma 120.00217146
_symmetry_Int_Tables_number 1
_chemical_formula_structural PmHo
_chemical_formula_sum 'Pm1 Ho1'
_cell_volume 67.79115401
_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 0.33334500 0.66664853 0.24998078 1.0
Ho Ho1 1 0.66665600 0.33335247 0.75002022 1.0
