RbSmTe2

弹性数据 ELA

MP-ID: mp-999269 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

RbSmTe2

MP-ID

mp-999269

Elements

Sites

Density

5.2385

g/cm³

Volume

155.65

Å³

Cell a

4.5963

Cell b

4.5963

Cell c

8.9119

α Angle

75.06

β Angle

75.06

γ Angle

60.00

Space Group

R-3m

Point Group

-3m

Crystal System

Trigonal

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
10.40	8.5076	22.5	(0,0,1)
26.39	3.3772	100.0	(1,0,-1)
28.43	3.1389	1.0	(1,0,2)
31.55	2.8359	1.5	(0,0,3)
33.32	2.6887	7.9	(1,0,-2)
33.32	2.6887	3.9	(1,1,3)
36.08	2.4894	34.6	(1,0,3)
39.20	2.2981	25.0	(1,-1,0)
39.20	2.2981	12.5	(2,1,1)
40.67	2.2186	2.6	(1,-1,1)
40.67	2.2186	2.6	(2,1,2)
42.50	2.1269	4.8	(0,0,4)
45.24	2.0046	5.5	(1,1,-3)
45.24	2.0046	2.8	(1,0,4)
47.88	1.9000	6.5	(0,2,2)
47.88	1.9000	13.0	(2,2,0)
51.16	1.7855	1.9	(1,-1,3)
51.93	1.7608	1.4	(1,0,-4)
52.37	1.7469	1.1	(0,2,3)
52.37	1.7469	2.2	(2,2,-1)
53.88	1.7015	2.0	(0,0,5)
54.33	1.6886	7.0	(2,0,-2)
54.33	1.6886	3.5	(2,2,4)
55.43	1.6575	1.9	(1,1,-4)

Get direct link

Energy Properties

Formation Energy/atom

-1.60918

eV/atom

Energy/atom

-4.60561

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-25.2940

eV/atom

Volume/atom

38.91

Å³

c/a Ratio

1.9389

Electronic Properties

Metallic

Non-metal

Band Gap

1.377

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

24.988

GPa

G_VRH

14.469

GPa

Young's Modulus E

36.384

GPa

Poisson Ratio ν

0.257

Pugh Ratio K/G

1.727

Vickers Hardness Est.

2.038

GPa

Ductility

Ductile

Anisotropy

1.157

Lame λ

15.342

GPa

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Te · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.000

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.1570

Homogeneous Poisson ν

0.2570

Homogeneity

0.2570

Related Tasks

Related computation task IDs (6)

aaaciskm aaaehjle aaaemywv aaafaghj aaafwygw aaagbnzn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-999269

Reference Citation

The crystal structure and related material properties of RbSmTe2 were obtained from the Materials Project database (MP-ID: mp-999269, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_RbSmTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59625918
_cell_length_b   4.59625990
_cell_length_c   8.91189256
_cell_angle_alpha   75.05615945
_cell_angle_beta   75.05616189
_cell_angle_gamma   60.00001001
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbSmTe2
_chemical_formula_sum   'Rb1 Sm1 Te2'
_cell_volume   155.64993923
_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
  Rb  Rb0  1  -0.00000000  0.00000000  0.00000000  1.0
  Sm  Sm1  1  0.50000000  0.50000000  0.50000000  1.0
  Te  Te2  1  0.76529978  0.76529978  0.70409965  1.0
  Te  Te3  1  0.23470022  0.23470022  0.29590035  1.0

Get direct link