Cd

Traditional Materials TRA

MP-ID: mp-1183591 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

MP-ID

mp-1183591

Elements

Sites

Density

8.6396

g/cm³

Volume

86.42

Å³

Cell a

3.0931

Cell b

3.0931

Cell c

10.4307

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

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
33.45	2.6787	11.7	(1,0,-1,0)
34.39	2.6077	57.6	(0,0,0,4)
34.57	2.5945	21.3	(1,0,-1,1)
34.57	2.5945	42.6	(1,-1,0,1)
37.75	2.3828	50.0	(1,0,-1,2)
37.75	2.3828	100.0	(1,-1,0,2)
42.61	2.1220	35.2	(1,0,-1,3)
48.73	1.8685	2.6	(1,0,-1,4)
48.73	1.8685	5.2	(1,-1,0,4)
55.86	1.6459	15.3	(1,0,-1,5)
59.80	1.5465	21.9	(2,-1,-1,0)
59.80	1.5465	11.0	(1,-2,1,0)
63.83	1.4583	30.1	(1,0,-1,6)
70.84	1.3302	25.9	(2,-1,-1,4)
70.84	1.3302	13.0	(1,-2,1,4)
70.95	1.3284	2.4	(2,0,-2,1)
70.95	1.3284	2.4	(0,2,-2,1)
70.95	1.3284	2.4	(2,-2,0,1)
72.49	1.3038	6.1	(0,0,0,8)
72.60	1.3022	6.8	(1,0,-1,7)
72.92	1.2972	6.7	(2,0,-2,2)
72.92	1.2972	13.4	(2,-2,0,2)
76.17	1.2498	2.0	(2,0,-2,3)
76.17	1.2498	4.0	(2,-2,0,3)

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Energy Properties

Formation Energy/atom

0.02232

eV/atom

Energy/atom

-20.08267

eV/atom

Energy above Hull

0.0223

eV/atom

Uncorrected Energy

-20.0827

eV/atom

Volume/atom

21.61

Å³

c/a Ratio

3.3723

Electronic Properties

Metallic

Metal

Band Gap

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

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cd · 1.000

Element Family

N/A

Solute Fraction

0.000

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.558

Family

Pure Metal

Matrix Element

Cd · 1.000

Related Tasks

Related computation task IDs (5)

aaadobqf aaadwdin aaaegyfj aaaetiuk aaafcueo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1183591

Reference Citation

The crystal structure and related material properties of Cd were obtained from the Materials Project database (MP-ID: mp-1183591, 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_Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09306785
_cell_length_b   3.09306742
_cell_length_c   10.43073696
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999335
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd
_chemical_formula_sum   Cd4
_cell_volume   86.42203498
_cell_formula_units_Z   4
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  0.00000000  -0.00000000  0.00000000  1.0
  Cd  Cd1  1  0.33333300  0.66666600  0.25000000  1.0
  Cd  Cd2  1  0.00000000  -0.00000000  0.50000000  1.0
  Cd  Cd3  1  0.66666700  0.33333500  0.75000000  1.0

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