Cs

传统材料 TRA 弹性数据 ELA

MP-ID: mp-1 · Space group: Im-3m (#229)

Materials Project API

Basic Information

Formula

MP-ID

mp-1

Elements

Sites

Density

1.8019

g/cm³

Volume

122.48

Å³

Cell a

5.4187

Cell b

5.4187

Cell c

5.4187

α Angle

109.47

β Angle

109.47

γ Angle

109.47

Space Group

Im-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.6802

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
20.07	4.4243	100.0	(1,0,0)
20.07	4.4243	20.0	(0,0,1)
28.53	3.1285	25.1	(1,1,-1)
35.13	2.5544	43.1	(2,0,-1)
35.13	2.5544	14.4	(1,0,-2)
40.79	2.2122	15.7	(2,0,0)
40.79	2.2122	3.1	(0,0,2)
45.86	1.9786	8.9	(2,1,-1)
45.86	1.9786	15.6	(2,-1,-2)
45.86	1.9786	2.2	(1,-1,2)
50.53	1.8062	3.3	(3,-1,-1)
50.53	1.8062	3.3	(1,1,1)
54.90	1.6722	2.6	(0,3,-1)
54.90	1.6722	23.5	(3,0,-2)
54.90	1.6722	5.2	(1,0,2)
59.06	1.5642	1.1	(2,2,-2)
59.06	1.5642	2.1	(2,-2,2)
63.03	1.4748	3.5	(3,1,-2)
63.03	1.4748	6.9	(3,0,0)
63.03	1.4748	5.2	(3,-2,1)
66.87	1.3991	2.9	(3,1,-1)
66.87	1.3991	4.4	(3,-1,-3)
66.87	1.3991	1.5	(1,-1,3)
70.61	1.3340	4.4	(4,-1,-1)

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Energy Properties

Formation Energy/atom

0.01934

eV/atom

Energy/atom

-25.08911

eV/atom

Energy above Hull

0.0193

eV/atom

Uncorrected Energy

-25.0891

eV/atom

Volume/atom

122.48

Å³

c/a Ratio

1.0000

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

K_VRH

1.974

GPa

G_VRH

0.604

GPa

Young's Modulus E

GPa

Poisson Ratio ν

0.361

Pugh Ratio K/G

3.268

Vickers Hardness Est.

GPa

Ductility

Brittle

Anisotropy

9.289

Lame λ

1.571

GPa

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cs · 1.000

Element Family

Alkali-AlkEarth

Solute Fraction

0.000

Interstitial Fraction

0.000

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

9.2890

Homogeneous Poisson ν

0.3610

Homogeneity

0.3610

Related Tasks

Related computation task IDs (5)

aaacidjp aaadryrg aaaehlty aaaeurkq aaafjgob

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1

Reference Citation

The crystal structure and related material properties of Cs were obtained from the Materials Project database (MP-ID: mp-1, 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_Cs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41866063
_cell_length_b   5.41866088
_cell_length_c   5.41866011
_cell_angle_alpha   109.47122598
_cell_angle_beta   109.47122702
_cell_angle_gamma   109.47121343
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs
_chemical_formula_sum   Cs1
_cell_volume   122.47682480
_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
  Cs  Cs0  1  -0.00000000  -0.00000000  -0.00000000  1.0

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