HoP
传统材料 TRAMP-ID: mp-1001843 · Space group: Pm-3m (#221)
Basic Information
Formula
HoP
MP-ID
mp-1001843
Elements
2
Sites
2
Density
7.9001
g/cm³
Volume
41.18
ų
Cell a
3.4532
Å
Cell b
3.4532
Å
Cell c
3.4532
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
No
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 9)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 25.80 | 3.4532 | 57.5 | (1,0,0) |
| 36.81 | 2.4418 | 100.0 | (1,1,0) |
| 45.50 | 1.9937 | 17.6 | (1,1,1) |
| 53.04 | 1.7266 | 17.4 | (2,0,0) |
| 59.89 | 1.5443 | 23.6 | (2,1,0) |
| 66.30 | 1.4098 | 35.5 | (2,1,1) |
| 78.31 | 1.2209 | 11.1 | (2,2,0) |
| 84.10 | 1.1511 | 11.4 | (2,2,1) |
| 89.82 | 1.0920 | 16.6 | (3,1,0) |
Energy Properties
Formation Energy/atom
-1.30426
eV/atom
Energy/atom
-22.24597
eV/atom
Energy above Hull
0.5474
eV/atom
Uncorrected Energy
-6.0613
eV/atom
Volume/atom
20.59
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0015
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000040
μB/ų
Elastic Properties
KVRH
89.494
GPa
GVRH
-100.125
GPa
Young's Modulus E
-
GPa
Poisson Ratio ν
-
Pugh Ratio K/G
-0.894
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
-4.837
Lame λ
156.244
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.424
Family
Binary Alloy
Matrix Element
Ho · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1001843
Reference Citation
The crystal structure and related material properties of HoP were obtained from the Materials Project database (MP-ID: mp-1001843, 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_HoP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.45318500
_cell_length_b 3.45318500
_cell_length_c 3.45318500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoP
_chemical_formula_sum 'Ho1 P1'
_cell_volume 41.17745841
_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
Ho Ho0 1 0.00000000 0.00000000 0.00000000 1.0
P P1 1 0.50000000 0.50000000 0.50000000 1.0
