Ho2CF2

Elasticity Data ELA

MP-ID: mp-9006 · Space group: P-3m1 (#164)

Materials Project API

Basic Information

Formula

Ho2CF2

MP-ID

mp-9006

Elements

Sites

Density

8.8066

g/cm³

Volume

71.63

Å³

Cell a

3.6320

Cell b

3.6320

Cell c

6.2698

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-3m1

Point Group

-3m

Crystal System

Trigonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
14.13	6.2698	8.3	(0,0,0,1)
28.37	3.1454	31.3	(1,0,-1,0)
28.37	3.1454	15.7	(0,1,-1,0)
28.47	3.1349	39.4	(0,0,0,2)
31.83	2.8114	50.0	(1,-1,0,1)
31.83	2.8114	100.0	(1,0,-1,1)
40.63	2.2204	19.6	(1,-1,0,2)
40.63	2.2204	39.3	(1,0,-1,2)
43.29	2.0899	5.4	(0,0,0,3)
50.24	1.8160	15.1	(2,-1,-1,0)
50.24	1.8160	15.1	(1,-2,1,0)
50.24	1.8160	15.1	(1,1,-2,0)
52.46	1.7443	1.2	(1,1,-2,1)
52.57	1.7407	40.4	(1,0,-1,3)
58.71	1.5727	2.0	(2,-2,0,0)
58.71	1.5727	2.0	(2,0,-2,0)
58.71	1.5727	2.0	(0,2,-2,0)
58.76	1.5714	21.5	(2,-1,-1,2)
58.76	1.5714	10.7	(1,1,-2,2)
58.92	1.5675	2.1	(0,0,0,4)
60.71	1.5254	16.6	(2,0,-2,1)
60.71	1.5254	8.3	(0,2,-2,1)
66.52	1.4057	4.4	(2,-2,0,2)
66.52	1.4057	4.4	(2,0,-2,2)

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Energy Properties

Formation Energy/atom

-2.60143

eV/atom

Energy/atom

-7.05253

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-19.1176

eV/atom

Volume/atom

14.33

Å³

c/a Ratio

1.7263

Electronic Properties

Metallic

Non-metal

Band Gap

1.136

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

105.953

GPa

G_VRH

65.305

GPa

Young's Modulus E

162.524

GPa

Poisson Ratio ν

0.244

Pugh Ratio K/G

1.622

Vickers Hardness Est.

10.088

GPa

Ductility

Ductile

Anisotropy

0.796

Lame λ

62.416

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.400

Element Family

Lanthanide

Solute Fraction

0.600

Interstitial Fraction

0.200

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.7960

Homogeneous Poisson ν

0.2440

Debye Temperature

1,170.9

Sound Velocity

3,021.2

m/s

Homogeneity

0.2440

Related Tasks

Related computation task IDs (6)

aaadmndy aaaegrkw aaaeumbv aaafahph aaafsrhn aaagbnrf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9006

Reference Citation

The crystal structure and related material properties of Ho2CF2 were obtained from the Materials Project database (MP-ID: mp-9006, 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_Ho2CF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63198646
_cell_length_b   3.63198591
_cell_length_c   6.26982569
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001431
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2CF2
_chemical_formula_sum   'Ho2 C1 F2'
_cell_volume   71.62661244
_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  0.33333300  0.66666700  0.21337661  1.0
  Ho  Ho1  1  0.66666700  0.33333300  0.78662339  1.0
  C  C2  1  -0.00000000  -0.00000000  0.00000000  1.0
  F  F3  1  0.66666700  0.33333300  0.38739360  1.0
  F  F4  1  0.33333300  0.66666700  0.61260640  1.0

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