Ho6Mn23
Traditional Materials TRAMP-ID: mp-669648 · Space group: Fm-3m (#225)
Basic Information
Formula
Ho6Mn23
MP-ID
mp-669648
Elements
2
Sites
29
Density
8.5970
g/cm³
Volume
435.21
ų
Cell a
8.5062
Å
Cell b
8.5062
Å
Cell c
8.5062
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
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 |
|---|---|---|---|
| 12.75 | 6.9453 | 3.6 | (1,1,1) |
| 20.89 | 4.2531 | 3.1 | (2,1,1) |
| 25.65 | 3.4727 | 30.7 | (2,2,2) |
| 29.71 | 3.0074 | 21.8 | (2,2,0) |
| 32.44 | 2.7598 | 31.1 | (3,2,2) |
| 33.31 | 2.6899 | 5.8 | (3,2,1) |
| 36.60 | 2.4555 | 35.4 | (3,3,2) |
| 38.90 | 2.3151 | 100.0 | (3,3,3) |
| 42.51 | 2.1266 | 93.0 | (4,2,2) |
| 44.56 | 2.0334 | 5.8 | (4,3,2) |
| 45.23 | 2.0049 | 18.8 | (4,3,3) |
| 47.82 | 1.9021 | 2.5 | (4,3,1) |
| 49.70 | 1.8345 | 3.1 | (4,4,3) |
| 52.72 | 1.7363 | 1.9 | (4,4,4) |
| 54.47 | 1.6845 | 19.5 | (5,3,3) |
| 55.05 | 1.6682 | 6.8 | (5,3,2) |
| 58.98 | 1.5661 | 13.2 | (5,4,4) |
| 61.69 | 1.5037 | 5.4 | (4,4,0) |
| 63.28 | 1.4697 | 23.5 | (5,5,3) |
| 63.80 | 1.4588 | 1.6 | (5,5,4) |
| 65.88 | 1.4177 | 28.3 | (5,3,0) |
| 67.42 | 1.3891 | 14.6 | (6,4,3) |
| 69.95 | 1.3450 | 1.7 | (6,4,2) |
| 71.44 | 1.3204 | 6.7 | (6,5,4) |
Energy Properties
Formation Energy/atom
0.03201
eV/atom
Energy/atom
-18.41643
eV/atom
Energy above Hull
0.0861
eV/atom
Uncorrected Energy
-8.1366
eV/atom
Volume/atom
15.01
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
30.8122
μB
Mag. Ordering
FiM
Mag. Sites
23
Magnetization/Volume
0.070800
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mn · 0.793
Element Family
N/A
Solute Fraction
0.207
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.751
Family
Binary Alloy
Matrix Element
Mn · 0.793
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-669648
Reference Citation
The crystal structure and related material properties of Ho6Mn23 were obtained from the Materials Project database (MP-ID: mp-669648, 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_Ho6Mn23
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.50622163
_cell_length_b 8.50622163
_cell_length_c 8.50622163
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho6Mn23
_chemical_formula_sum 'Ho6 Mn23'
_cell_volume 435.20621139
_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 0.20433200 0.79566800 0.20433200 1.0
Ho Ho1 1 0.20433200 0.79566800 0.79566800 1.0
Ho Ho2 1 0.79566800 0.20433200 0.79566800 1.0
Ho Ho3 1 0.79566800 0.79566800 0.20433200 1.0
Ho Ho4 1 0.79566800 0.20433200 0.20433200 1.0
Ho Ho5 1 0.20433200 0.20433200 0.79566800 1.0
Mn Mn6 1 0.82290700 0.82290700 0.53128000 1.0
Mn Mn7 1 0.17709300 0.17709300 0.46872000 1.0
Mn Mn8 1 0.50000000 0.00000000 0.00000000 1.0
Mn Mn9 1 0.37817900 0.37817900 0.37817900 1.0
Mn Mn10 1 0.82290700 0.53128000 0.82290700 1.0
Mn Mn11 1 0.62182100 0.13453600 0.62182100 1.0
Mn Mn12 1 0.46872000 0.17709300 0.17709300 1.0
Mn Mn13 1 0.82290700 0.82290700 0.82290700 1.0
Mn Mn14 1 0.62182100 0.62182100 0.13453600 1.0
Mn Mn15 1 0.50000000 0.00000000 0.50000000 1.0
Mn Mn16 1 0.17709300 0.46872000 0.17709300 1.0
Mn Mn17 1 0.37817900 0.86546400 0.37817900 1.0
Mn Mn18 1 0.17709300 0.17709300 0.17709300 1.0
Mn Mn19 1 0.00000000 0.00000000 0.50000000 1.0
Mn Mn20 1 0.00000000 0.50000000 0.00000000 1.0
Mn Mn21 1 0.13453600 0.62182100 0.62182100 1.0
Mn Mn22 1 0.53128000 0.82290700 0.82290700 1.0
Mn Mn23 1 0.62182100 0.62182100 0.62182100 1.0
Mn Mn24 1 0.37817900 0.37817900 0.86546400 1.0
Mn Mn25 1 0.86546400 0.37817900 0.37817900 1.0
Mn Mn26 1 0.50000000 0.50000000 0.00000000 1.0
Mn Mn27 1 0.50000000 0.50000000 0.50000000 1.0
Mn Mn28 1 0.00000000 0.50000000 0.50000000 1.0
