CdH

Traditional Materials TRA

MP-ID: mp-1183656 · Space group: P6_3mc (#186)

Materials Project API

Basic Information

Formula

CdH

MP-ID

mp-1183656

Elements

Sites

Density

6.4135

g/cm³

Volume

58.73

Å³

Cell a

3.0605

Cell b

3.0605

Cell c

7.2401

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3mc

Point Group

6mm

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 22)

2θ	d (Å)	I	hkl
24.59	3.6201	59.0	(0,0,0,2)
33.82	2.6505	20.5	(1,0,-1,0)
36.09	2.4890	100.0	(1,0,-1,1)
42.26	2.1386	20.8	(1,0,-1,2)
50.42	1.8100	8.4	(0,0,0,4)
51.19	1.7845	35.8	(1,0,-1,3)
60.50	1.5303	9.4	(2,-1,-1,0)
60.50	1.5303	4.7	(1,1,-2,0)
62.10	1.4947	6.5	(1,0,-1,4)
66.32	1.4095	13.8	(2,-1,-1,2)
66.32	1.4095	6.9	(1,1,-2,2)
71.14	1.3253	1.4	(2,0,-2,0)
72.51	1.3036	12.0	(2,0,-2,1)
74.70	1.2708	11.0	(1,0,-1,5)
76.56	1.2445	1.1	(2,-2,0,2)
76.56	1.2445	2.3	(2,0,-2,2)
79.42	1.2067	2.1	(0,0,0,6)
82.55	1.1686	7.6	(2,-1,-1,4)
82.55	1.1686	3.8	(1,1,-2,4)
83.16	1.1616	2.8	(2,-2,0,3)
83.16	1.1616	5.6	(2,0,-2,3)
89.17	1.0982	2.4	(1,0,-1,6)

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Energy Properties

Formation Energy/atom

0.37711

eV/atom

Energy/atom

-11.40294

eV/atom

Energy above Hull

0.3771

eV/atom

Uncorrected Energy

-1.6912

eV/atom

Volume/atom

14.68

Å³

c/a Ratio

2.3656

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0031

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000050

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cd · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.344

Family

Binary Alloy

Matrix Element

Cd · 0.500

Related Tasks

Related computation task IDs (5)

aaaddbzv aaadnwnk aaadwjjp aaaesgqa aaafxfdp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1183656

Reference Citation

The crystal structure and related material properties of CdH were obtained from the Materials Project database (MP-ID: mp-1183656, 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…

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Raw CIF Data

# generated using pymatgen
data_CdH
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06053023
_cell_length_b   3.06053023
_cell_length_c   7.24011500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000507
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdH
_chemical_formula_sum   'Cd2 H2'
_cell_volume   58.73127410
_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  0.66666700  0.33333300  0.55206800  1.0
  Cd  Cd1  1  0.33333300  0.66666700  0.05206800  1.0
  H  H2  1  0.66666700  0.33333300  0.82293000  1.0
  H  H3  1  0.33333300  0.66666700  0.32293000  1.0

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