CsHo
Traditional Materials TRAMP-ID: mp-1183937 · Space group: P-6m2 (#187)
Basic Information
Formula
CsHo
MP-ID
mp-1183937
Elements
2
Sites
2
Density
5.3109
g/cm³
Volume
93.12
ų
Cell a
3.7723
Å
Cell b
3.7723
Å
Cell c
7.5566
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 |
|---|---|---|---|
| 11.71 | 7.5566 | 2.2 | (0,0,0,1) |
| 23.55 | 3.7783 | 40.1 | (0,0,0,2) |
| 27.30 | 3.2669 | 21.5 | (1,0,-1,0) |
| 29.79 | 2.9986 | 100.0 | (1,0,-1,1) |
| 36.35 | 2.4712 | 13.5 | (1,0,-1,2) |
| 36.35 | 2.4712 | 6.7 | (1,-1,0,2) |
| 45.47 | 1.9948 | 31.2 | (1,0,-1,3) |
| 48.17 | 1.8892 | 5.8 | (0,0,0,4) |
| 48.25 | 1.8861 | 5.8 | (1,1,-2,0) |
| 48.25 | 1.8861 | 11.6 | (2,-1,-1,0) |
| 54.37 | 1.6875 | 8.1 | (1,1,-2,2) |
| 54.37 | 1.6875 | 16.3 | (2,-1,-1,2) |
| 56.25 | 1.6354 | 5.8 | (1,0,-1,4) |
| 56.32 | 1.6334 | 1.9 | (2,0,-2,0) |
| 57.75 | 1.5966 | 15.4 | (2,0,-2,1) |
| 61.89 | 1.4993 | 2.9 | (2,0,-2,2) |
| 61.89 | 1.4993 | 1.4 | (2,-2,0,2) |
| 68.39 | 1.3717 | 9.3 | (1,0,-1,5) |
| 68.46 | 1.3705 | 9.3 | (2,0,-2,3) |
| 70.56 | 1.3348 | 3.8 | (1,1,-2,4) |
| 70.56 | 1.3348 | 7.5 | (2,-1,-1,4) |
| 75.49 | 1.2594 | 1.6 | (0,0,0,6) |
| 77.21 | 1.2356 | 1.5 | (2,0,-2,4) |
| 77.27 | 1.2348 | 1.5 | (3,-1,-2,0) |
Energy Properties
Formation Energy/atom
0.75625
eV/atom
Energy/atom
-28.23865
eV/atom
Energy above Hull
0.7563
eV/atom
Uncorrected Energy
-1.9827
eV/atom
Volume/atom
46.56
ų
c/a Ratio
2.0032
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0317
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000340
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cs · 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
0.344
Family
Binary Alloy
Matrix Element
Cs · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1183937
Reference Citation
The crystal structure and related material properties of CsHo were obtained from the Materials Project database (MP-ID: mp-1183937, 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_CsHo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.77225554
_cell_length_b 3.77225554
_cell_length_c 7.55662300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999202
_symmetry_Int_Tables_number 1
_chemical_formula_structural CsHo
_chemical_formula_sum 'Cs1 Ho1'
_cell_volume 93.12378802
_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
Cs Cs0 1 0.66666700 0.33333300 0.50000000 1.0
Ho Ho1 1 0.33333300 0.66666700 0.00000000 1.0
