Basic Information
Formula
Ho2Fe2Si2C
MP-ID
mp-1025316
Elements
4
Sites
7
Density
8.0584
g/cm³
Volume
105.04
ų
Cell a
5.5915
Å
Cell b
5.5915
Å
Cell c
6.6768
Å
α Angle
53.33
°
β Angle
53.33
°
γ Angle
40.75
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 17.23 | 5.1476 | 10.7 | (1,1,1) |
| 22.00 | 4.0403 | 23.4 | (1,1,0) |
| 25.39 | 3.5077 | 100.0 | (1,0,0) |
| 26.70 | 3.3384 | 47.3 | (1,1,2) |
| 34.70 | 2.5852 | 51.0 | (2,1,1) |
| 34.70 | 2.5852 | 51.0 | (1,2,1) |
| 34.70 | 2.5849 | 19.5 | (1,0,-1) |
| 34.70 | 2.5849 | 19.5 | (0,1,-1) |
| 34.86 | 2.5738 | 30.6 | (2,2,2) |
| 34.87 | 2.5733 | 34.3 | (0,0,2) |
| 35.95 | 2.4981 | 45.0 | (2,2,1) |
| 35.96 | 2.4977 | 42.6 | (1,1,-1) |
| 37.18 | 2.4184 | 21.2 | (2,1,2) |
| 37.18 | 2.4184 | 21.2 | (1,2,2) |
| 37.18 | 2.4181 | 71.6 | (0,1,2) |
| 37.18 | 2.4181 | 71.6 | (1,0,2) |
| 40.73 | 2.2152 | 24.2 | (2,1,0) |
| 40.73 | 2.2152 | 24.2 | (1,2,0) |
| 42.11 | 2.1458 | 33.8 | (2,2,3) |
| 42.12 | 2.1456 | 5.6 | (1,1,3) |
| 46.65 | 1.9469 | 49.7 | (1,-1,0) |
| 49.37 | 1.8459 | 1.9 | (3,2,2) |
| 49.37 | 1.8459 | 1.9 | (2,3,2) |
| 49.38 | 1.8456 | 1.0 | (1,0,-2) |
Energy Properties
Formation Energy/atom
-0.69177
eV/atom
Energy/atom
-7.29420
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-18.0607
eV/atom
Volume/atom
15.01
ų
c/a Ratio
1.1941
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0759
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000720
μB/ų
Elastic Properties
KVRH
132.603
GPa
GVRH
82.417
GPa
Young's Modulus E
204.817
GPa
Poisson Ratio ν
0.243
Pugh Ratio K/G
1.609
Vickers Hardness Est.
12.144
GPa
Ductility
Ductile
Anisotropy
0.481
Lame λ
77.658
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 0.286
Element Family
Lanthanide
Solute Fraction
0.714
Interstitial Fraction
0.429
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.4810
Homogeneous Poisson ν
0.2430
Debye Temperature
605.8
K
Sound Velocity
3,547.4
m/s
Homogeneity
0.2430
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1025316
Reference Citation
The crystal structure and related material properties of Ho2Fe2Si2C were obtained from the Materials Project database (MP-ID: mp-1025316, 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_Ho2Fe2Si2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.59152496
_cell_length_b 5.59152447
_cell_length_c 6.67680166
_cell_angle_alpha 53.32959323
_cell_angle_beta 53.32959864
_cell_angle_gamma 40.75209717
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho2Fe2Si2C
_chemical_formula_sum 'Ho2 Fe2 Si2 C1'
_cell_volume 105.03738793
_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 0.44228494 0.44228494 0.29232013 1.0
Ho Ho1 1 0.55771506 0.55771506 0.70767987 1.0
Fe Fe2 1 0.79879211 0.79879211 0.09572941 1.0
Fe Fe3 1 0.20120789 0.20120789 0.90427059 1.0
Si Si4 1 0.83737565 0.83737565 0.71760229 1.0
Si Si5 1 0.16262435 0.16262435 0.28239771 1.0
C C6 1 0.00000000 0.00000000 0.00000000 1.0
