Basic Information
Formula
HoCoC2
MP-ID
mp-9241
Elements
3
Sites
4
Density
8.7808
g/cm³
Volume
46.88
ų
Cell a
3.5279
Å
Cell b
3.7201
Å
Cell c
3.7201
Å
α Angle
106.23
°
β Angle
90.00
°
γ Angle
90.00
°
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 |
|---|---|---|---|
| 24.93 | 3.5718 | 35.8 | (0,1,0) |
| 25.24 | 3.5279 | 7.5 | (1,0,0) |
| 30.03 | 2.9756 | 21.9 | (0,1,-1) |
| 35.77 | 2.5100 | 100.0 | (1,1,0) |
| 39.62 | 2.2746 | 25.6 | (1,1,-1) |
| 40.40 | 2.2328 | 18.2 | (0,1,1) |
| 48.24 | 1.8867 | 5.5 | (1,1,1) |
| 50.33 | 1.8129 | 9.3 | (0,2,-1) |
| 50.33 | 1.8129 | 9.3 | (0,1,-2) |
| 51.15 | 1.7859 | 6.7 | (0,2,0) |
| 51.15 | 1.7859 | 6.7 | (0,0,2) |
| 51.83 | 1.7640 | 10.8 | (2,0,0) |
| 57.12 | 1.6125 | 4.9 | (1,2,-1) |
| 57.12 | 1.6125 | 4.9 | (1,1,-2) |
| 57.87 | 1.5934 | 7.3 | (1,2,0) |
| 57.87 | 1.5934 | 7.3 | (1,0,2) |
| 58.34 | 1.5816 | 7.5 | (2,1,0) |
| 61.07 | 1.5174 | 6.2 | (2,1,-1) |
| 62.42 | 1.4878 | 1.3 | (0,2,-2) |
| 64.53 | 1.4440 | 1.8 | (0,2,1) |
| 64.53 | 1.4440 | 1.8 | (0,1,2) |
| 67.69 | 1.3841 | 7.8 | (2,1,1) |
| 68.44 | 1.3709 | 7.8 | (1,2,-2) |
| 70.46 | 1.3364 | 12.9 | (1,2,1) |
Energy Properties
Formation Energy/atom
-0.34080
eV/atom
Energy/atom
-7.88906
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-16.9104
eV/atom
Volume/atom
11.72
ų
c/a Ratio
1.0545
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
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
B
Score
0.469
Family
Interstitial Alloy
Matrix Element
C · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-9241
Reference Citation
The crystal structure and related material properties of HoCoC2 were obtained from the Materials Project database (MP-ID: mp-9241, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_HoCoC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.52794265
_cell_length_b 3.72013127
_cell_length_c 3.72013051
_cell_angle_alpha 106.23388305
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoCoC2
_chemical_formula_sum 'Ho1 Co1 C2'
_cell_volume 46.87781200
_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 0.00000000 0.99870238 0.00129762 1.0
Co Co1 1 0.50000000 0.61463064 0.38536936 1.0
C C2 1 0.50000000 0.45997563 0.84830964 1.0
C C3 1 0.50000000 0.15169036 0.54002437 1.0
