Basic Information
Formula
HoFeC2
MP-ID
mp-1018052
Elements
3
Sites
4
Density
8.4485
g/cm³
Volume
48.11
ų
Cell a
3.7379
Å
Cell b
3.7379
Å
Cell c
3.5758
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
105.62
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 24.73 | 3.5998 | 34.5 | (1,0,0) |
| 24.90 | 3.5758 | 8.1 | (0,0,1) |
| 30.01 | 2.9778 | 23.5 | (1,-1,0) |
| 35.38 | 2.5369 | 100.0 | (1,0,1) |
| 39.38 | 2.2883 | 22.9 | (1,-1,1) |
| 39.90 | 2.2593 | 17.8 | (1,1,0) |
| 47.61 | 1.9100 | 5.9 | (1,1,1) |
| 50.19 | 1.8175 | 15.7 | (2,-1,0) |
| 50.72 | 1.7999 | 14.8 | (2,0,0) |
| 51.09 | 1.7879 | 10.8 | (0,0,2) |
| 56.82 | 1.6203 | 12.8 | (2,-1,1) |
| 57.31 | 1.6077 | 12.4 | (2,0,1) |
| 57.56 | 1.6013 | 7.4 | (1,0,2) |
| 60.39 | 1.5328 | 6.9 | (1,-1,2) |
| 62.37 | 1.4889 | 1.9 | (2,-2,0) |
| 63.73 | 1.4602 | 3.4 | (2,1,0) |
| 66.72 | 1.4020 | 7.7 | (1,1,2) |
| 68.23 | 1.3745 | 6.7 | (2,-2,1) |
| 69.54 | 1.3519 | 13.2 | (2,1,1) |
| 74.44 | 1.2746 | 9.4 | (2,-1,2) |
| 74.86 | 1.2685 | 9.1 | (2,0,2) |
| 76.65 | 1.2432 | 1.7 | (3,-1,0) |
| 79.95 | 1.1999 | 3.1 | (3,0,0) |
| 82.07 | 1.1743 | 8.6 | (3,-1,1) |
Energy Properties
Formation Energy/atom
-0.26615
eV/atom
Energy/atom
-8.14856
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-17.0927
eV/atom
Volume/atom
12.03
ų
c/a Ratio
0.9566
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.7343
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.036050
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
C · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.429
Family
Interstitial Alloy
Matrix Element
C · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018052
Reference Citation
The crystal structure and related material properties of HoFeC2 were obtained from the Materials Project database (MP-ID: mp-1018052, 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_HoFeC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.73790570
_cell_length_b 3.73790570
_cell_length_c 3.57575732
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 105.62417478
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoFeC2
_chemical_formula_sum 'Ho1 Fe1 C2'
_cell_volume 48.11418231
_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 0.00820308 0.99179692 0.00000000 1.0
Fe Fe1 1 0.60823139 0.39176861 0.50000000 1.0
C C2 1 0.45506815 0.85650262 0.50000000 1.0
C C3 1 0.14349738 0.54493185 0.50000000 1.0
