Ho3Er
Traditional Materials TRAMP-ID: mp-1184718 · Space group: P6_3/mmc (#194)
Basic Information
Formula
Ho3Er
MP-ID
mp-1184718
Elements
2
Sites
8
Density
8.8123
g/cm³
Volume
249.51
ų
Cell a
7.2118
Å
Cell b
7.2117
Å
Cell c
5.5395
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 |
|---|---|---|---|
| 28.58 | 3.1228 | 24.1 | (2,-2,0,0) |
| 28.58 | 3.1228 | 24.1 | (2,0,-2,0) |
| 28.59 | 3.1228 | 24.1 | (0,2,-2,0) |
| 32.32 | 2.7698 | 70.0 | (0,0,0,2) |
| 32.93 | 2.7203 | 100.0 | (2,-2,0,1) |
| 32.93 | 2.7203 | 100.0 | (2,0,-2,1) |
| 32.93 | 2.7203 | 100.0 | (0,2,-2,1) |
| 43.68 | 2.0721 | 15.3 | (2,-2,0,2) |
| 43.68 | 2.0721 | 15.3 | (2,0,-2,2) |
| 43.68 | 2.0721 | 15.3 | (0,2,-2,2) |
| 50.63 | 1.8029 | 20.0 | (4,-2,-2,0) |
| 50.63 | 1.8029 | 20.0 | (2,-4,2,0) |
| 50.63 | 1.8029 | 20.0 | (2,2,-4,0) |
| 58.03 | 1.5894 | 20.0 | (2,-2,0,3) |
| 58.03 | 1.5894 | 20.0 | (2,0,-2,3) |
| 58.03 | 1.5894 | 20.0 | (0,2,-2,3) |
| 59.17 | 1.5614 | 3.1 | (4,-4,0,0) |
| 59.17 | 1.5614 | 3.1 | (4,0,-4,0) |
| 59.17 | 1.5614 | 3.1 | (0,4,-4,0) |
| 61.35 | 1.5110 | 22.5 | (4,-2,-2,2) |
| 61.35 | 1.5110 | 22.5 | (2,-4,2,2) |
| 61.35 | 1.5110 | 22.5 | (2,2,-4,2) |
| 61.72 | 1.5028 | 16.6 | (4,-4,0,1) |
| 61.72 | 1.5028 | 16.6 | (4,0,-4,1) |
Energy Properties
Formation Energy/atom
0.00606
eV/atom
Energy/atom
-33.13630
eV/atom
Energy above Hull
0.0118
eV/atom
Uncorrected Energy
-33.1363
eV/atom
Volume/atom
31.19
ų
c/a Ratio
0.7681
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
0.633
Family
Binary Alloy
Matrix Element
Ho · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184718
Reference Citation
The crystal structure and related material properties of Ho3Er were obtained from the Materials Project database (MP-ID: mp-1184718, 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_Ho3Er
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.21176577
_cell_length_b 7.21171256
_cell_length_c 5.53950539
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00039156
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho3Er
_chemical_formula_sum 'Ho6 Er2'
_cell_volume 249.50538821
_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 0.16691116 0.33382511 0.25000000 1.0
Ho Ho1 1 0.66617185 0.83308391 0.25000000 1.0
Ho Ho2 1 0.16691138 0.83308258 0.25000000 1.0
Ho Ho3 1 0.83308632 0.66617375 0.75000000 1.0
Ho Ho4 1 0.33382612 0.16691550 0.74999900 1.0
Ho Ho5 1 0.83308609 0.16691627 0.75000000 1.0
Er Er6 1 0.33334028 0.66667270 0.75000000 1.0
Er Er7 1 0.66666280 0.33332919 0.24999900 1.0
