HoLu(FeOs)2
MP-ID: mp-3250025 · Space group: Imm2 (#44)
Basic Information
Formula
HoLu(FeOs)2
MP-ID
mp-3250025
Elements
4
Sites
6
Density
13.6510
g/cm³
Volume
101.21
ų
Cell a
5.2023
Å
Cell b
5.2454
Å
Cell c
5.2454
Å
α Angle
59.48
°
β Angle
60.27
°
γ Angle
60.27
°
Space Group
Imm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oI
Stability
Yes
Packing Fraction
-
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 |
|---|---|---|---|
| 20.80 | 4.2712 | 10.6 | (0,1,0) |
| 20.80 | 4.2704 | 14.2 | (1,1,1) |
| 23.80 | 3.7388 | 15.8 | (0,1,1) |
| 34.19 | 2.6223 | 48.8 | (1,2,1) |
| 34.48 | 2.6011 | 36.8 | (2,1,1) |
| 40.11 | 2.2479 | 8.3 | (0,2,1) |
| 40.11 | 2.2479 | 8.3 | (0,1,2) |
| 40.12 | 2.2478 | 53.9 | (1,2,2) |
| 40.60 | 2.2219 | 100.0 | (1,1,-1) |
| 40.61 | 2.2216 | 34.7 | (2,1,0) |
| 42.32 | 2.1356 | 15.0 | (0,2,0) |
| 42.32 | 2.1356 | 15.0 | (0,0,2) |
| 42.33 | 2.1352 | 27.9 | (2,2,2) |
| 49.55 | 1.8395 | 1.8 | (2,2,0) |
| 54.31 | 1.6893 | 1.1 | (3,2,2) |
| 55.69 | 1.6506 | 6.0 | (2,-1,1) |
| 55.69 | 1.6506 | 2.0 | (2,1,-1) |
| 61.03 | 1.5182 | 7.4 | (0,3,1) |
| 61.03 | 1.5182 | 7.4 | (0,1,3) |
| 61.58 | 1.5061 | 4.5 | (1,-2,1) |
| 61.58 | 1.5061 | 2.3 | (1,0,3) |
| 61.58 | 1.5061 | 2.3 | (1,1,-2) |
| 61.59 | 1.5058 | 6.8 | (3,3,2) |
| 61.59 | 1.5058 | 2.3 | (3,1,0) |
Energy Properties
Formation Energy/atom
-0.33459
eV/atom
Energy/atom
-34.62767
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-34.6277
eV/atom
Volume/atom
16.87
ų
c/a Ratio
1.0083
Electronic Properties
Metallic
Non-metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3250025
Reference Citation
The crystal structure and related material properties of HoLu(FeOs)2 were obtained from the Materials Project database (MP-ID: mp-3250025, 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_HoLu(FeOs)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20225485
_cell_length_b 5.24536147
_cell_length_c 5.24536058
_cell_angle_alpha 59.47567236
_cell_angle_beta 60.27147081
_cell_angle_gamma 60.27147938
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoLu(FeOs)2
_chemical_formula_sum 'Ho1 Lu1 Fe2 Os2'
_cell_volume 101.21222214
_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 0.25203219 0.24796781 0.24796781 1.0
Lu Lu1 1 0.99766320 0.00233680 0.00233680 1.0
Fe Fe2 1 0.12440725 0.62502278 0.62502278 1.0
Fe Fe3 1 0.62554620 0.62502278 0.62502278 1.0
Os Os4 1 0.62517458 0.62480814 0.12484069 1.0
Os Os5 1 0.62517458 0.12484069 0.62480814 1.0
