CdP4

Elasticity Data ELA

MP-ID: mp-7904 · Space group: P2_1/c (#14)

Materials Project API

Basic Information

Formula

CdP4

MP-ID

mp-7904

Elements

Sites

Density

3.7991

g/cm³

Volume

206.57

Å³

Cell a

5.1721

Cell b

5.2893

Cell c

7.6505

α Angle

99.24

β Angle

90.00

γ Angle

90.00

Space Group

P2_1/c

Point Group

2/m

Crystal System

Monoclinic

Bravais Lattice

Stability

Yes

Packing Fraction

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
16.98	5.2206	15.3	(0,1,0)
20.82	4.2671	33.6	(1,0,1)
23.56	3.7756	11.5	(0,0,2)
24.22	3.6743	7.1	(1,1,0)
25.74	3.4615	50.7	(1,1,-1)
26.83	3.3234	33.2	(0,1,-2)
28.19	3.1661	100.0	(1,1,1)
29.29	3.0495	3.9	(1,0,2)
31.39	2.8497	6.0	(0,1,2)
32.01	2.7959	19.7	(1,1,-2)
34.36	2.6103	4.9	(0,2,0)
34.69	2.5860	5.5	(2,0,0)
35.98	2.4959	2.2	(1,1,2)
38.66	2.3293	10.2	(0,2,-2)
38.77	2.3226	22.5	(1,2,-1)
38.86	2.3173	14.1	(2,1,0)
39.83	2.2633	20.0	(1,0,3)
39.87	2.2610	3.3	(2,1,-1)
41.11	2.1955	8.8	(1,1,-3)
42.19	2.1418	5.4	(1,2,1)
42.36	2.1335	29.7	(2,0,2)
44.39	2.0409	12.0	(2,1,-2)
45.30	2.0019	22.0	(0,2,2)
45.95	1.9750	10.2	(1,1,3)

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Energy Properties

Formation Energy/atom

-0.12074

eV/atom

Energy/atom

-11.34340

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-11.3434

eV/atom

Volume/atom

20.66

Å³

c/a Ratio

1.4792

Electronic Properties

Metallic

Non-metal

Band Gap

0.501

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

55.424

GPa

G_VRH

28.159

GPa

Young's Modulus E

72.242

GPa

Poisson Ratio ν

0.283

Pugh Ratio K/G

1.968

Vickers Hardness Est.

3.382

GPa

Ductility

Brittle

Anisotropy

0.672

Lame λ

36.651

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

P · 0.800

Element Family

Metalloid-Nonmetal

Solute Fraction

0.200

Interstitial Fraction

0.800

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.6720

Homogeneous Poisson ν

0.2830

Debye Temperature

329.2

Sound Velocity

3,034.4

m/s

Homogeneity

0.2830

Related Tasks

Related computation task IDs (6)

aaacmybj aaadncup aaaelhtt aaaensgp aaafacgv aaafcryh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-7904

Reference Citation

The crystal structure and related material properties of CdP4 were obtained from the Materials Project database (MP-ID: mp-7904, 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_CdP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17206495
_cell_length_b   5.28931194
_cell_length_c   7.65047280
_cell_angle_alpha   99.24475770
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdP4
_chemical_formula_sum   'Cd2 P8'
_cell_volume   206.57294924
_cell_formula_units_Z   2
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
  Cd  Cd0  1  0.50000000  -0.00000000  0.50000000  1.0
  Cd  Cd1  1  0.00000000  -0.00000000  -0.00000000  1.0
  P  P2  1  0.60127637  0.60002315  0.89923150  1.0
  P  P3  1  0.10127637  0.39997685  0.60076850  1.0
  P  P4  1  0.28937911  0.73645077  0.74753723  1.0
  P  P5  1  0.78937911  0.26354923  0.75246277  1.0
  P  P6  1  0.71062089  0.26354923  0.25246277  1.0
  P  P7  1  0.21062089  0.73645077  0.24753723  1.0
  P  P8  1  0.89872363  0.60002315  0.39923150  1.0
  P  P9  1  0.39872363  0.39997685  0.10076850  1.0

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