Tm

传统材料 TRA 弹性数据 ELA

MP-ID: mp-1018122 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

MP-ID

mp-1018122

Elements

Sites

Density

9.1484

g/cm³

Volume

91.99

Å³

Cell a

3.5258

Cell b

3.5258

Cell c

8.7838

α Angle

78.42

β Angle

78.42

γ Angle

60.00

Space Group

R-3m

Point Group

-3m

Crystal System

Trigonal

Bravais Lattice

Stability

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
29.46	3.0320	20.7	(1,0,0)
29.46	3.0320	20.7	(1,1,1)
29.46	3.0320	20.7	(0,1,0)
30.09	2.9703	8.2	(1,0,1)
30.09	2.9703	8.2	(1,1,0)
30.09	2.9703	8.2	(0,1,1)
31.41	2.8482	86.3	(0,0,3)
32.48	2.7565	55.6	(1,0,-1)
32.48	2.7565	55.6	(1,1,2)
32.48	2.7565	55.6	(0,1,-1)
34.18	2.6234	50.0	(1,0,2)
34.18	2.6234	100.0	(1,1,-1)
38.38	2.3452	4.5	(1,0,-2)
38.38	2.3452	4.5	(1,1,3)
38.38	2.3452	4.5	(0,1,-2)
40.82	2.2105	7.9	(1,0,3)
40.82	2.2105	15.9	(1,1,-2)
46.24	1.9633	6.6	(1,0,-3)
46.24	1.9633	6.6	(1,1,4)
46.24	1.9633	6.6	(0,1,-3)
49.18	1.8525	6.1	(1,0,4)
51.86	1.7629	21.4	(2,1,1)
51.86	1.7629	21.4	(1,-1,0)
51.86	1.7629	21.4	(1,2,1)

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Energy Properties

Formation Energy/atom

0.00667

eV/atom

Energy/atom

-35.11438

eV/atom

Energy above Hull

0.0067

eV/atom

Uncorrected Energy

-35.1144

eV/atom

Volume/atom

30.66

Å³

c/a Ratio

2.4913

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.6202

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.017610

μB/Å³

Elastic Properties

K_VRH

43.971

GPa

G_VRH

28.525

GPa

Young's Modulus E

70.360

GPa

Poisson Ratio ν

0.233

Pugh Ratio K/G

1.541

Vickers Hardness Est.

5.559

GPa

Ductility

Ductile

Anisotropy

0.133

Lame λ

24.954

GPa

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tm · 1.000

Element Family

Lanthanide

Solute Fraction

0.000

Interstitial Fraction

0.000

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.1330

Homogeneous Poisson ν

0.2330

Homogeneity

0.2330

Related Tasks

Related computation task IDs (5)

aaadmojn aaadrmqv aaaehmun aaaeumtn aaafsqew

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1018122

Reference Citation

The crystal structure and related material properties of Tm were obtained from the Materials Project database (MP-ID: mp-1018122, 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_Tm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52580613
_cell_length_b   3.52580377
_cell_length_c   8.78379385
_cell_angle_alpha   78.42213356
_cell_angle_beta   78.42214394
_cell_angle_gamma   60.00000225
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm
_chemical_formula_sum   Tm3
_cell_volume   91.99032560
_cell_formula_units_Z   3
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
  Tm  Tm0  1  -0.00000000  -0.00000000  0.00000000  1.0
  Tm  Tm1  1  0.77829450  0.77829450  0.66511650  1.0
  Tm  Tm2  1  0.22170550  0.22170550  0.33488350  1.0

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