Tm

Traditional Materials TRA

MP-ID: mp-971769 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

MP-ID

mp-971769

Elements

Sites

Density

9.3344

g/cm³

Volume

120.21

Å³

Cell a

3.5130

Cell b

3.5130

Cell c

11.2475

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
29.36	3.0423	3.9	(1,0,-1,0)
29.36	3.0423	7.8	(1,-1,0,0)
30.44	2.9368	21.4	(1,0,-1,1)
30.44	2.9368	42.8	(1,-1,0,1)
31.82	2.8119	50.8	(0,0,0,4)
33.49	2.6759	50.0	(1,0,-1,2)
33.49	2.6759	100.0	(1,-1,0,2)
38.09	2.3624	11.8	(1,0,-1,3)
38.09	2.3624	23.6	(1,-1,0,3)
43.84	2.0650	2.7	(1,0,-1,4)
43.84	2.0650	5.3	(1,-1,0,4)
50.46	1.8088	5.3	(1,0,-1,5)
50.46	1.8088	10.6	(1,-1,0,5)
52.07	1.7565	25.8	(2,-1,-1,0)
52.07	1.7565	12.9	(1,-2,1,0)
57.77	1.5960	10.6	(1,0,-1,6)
57.77	1.5960	21.2	(1,-1,0,6)
60.90	1.5212	1.0	(2,-2,0,0)
61.52	1.5075	2.9	(2,0,-2,1)
61.52	1.5075	5.9	(2,-2,0,1)
62.33	1.4897	30.0	(2,-1,-1,4)
62.33	1.4897	15.0	(1,-2,1,4)
63.34	1.4684	8.1	(2,0,-2,2)
63.34	1.4684	16.1	(2,-2,0,2)

Get direct link

Energy Properties

Formation Energy/atom

0.02958

eV/atom

Energy/atom

-35.09147

eV/atom

Energy above Hull

0.0296

eV/atom

Uncorrected Energy

-35.0915

eV/atom

Volume/atom

30.05

Å³

c/a Ratio

3.2017

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0003

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

Tm · 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

0.553

Family

Pure Metal

Matrix Element

Tm · 1.000

Related Tasks

Related computation task IDs (5)

aaadoqrb aaadwbpm aaaehdfn aaaespxb aaafbmwc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-971769

Reference Citation

The crystal structure and related material properties of Tm were obtained from the Materials Project database (MP-ID: mp-971769, 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_Tm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51299116
_cell_length_b   3.51298954
_cell_length_c   11.24748319
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998521
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm
_chemical_formula_sum   Tm4
_cell_volume   120.20982448
_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
  Tm  Tm0  1  -0.00000000  0.00000000  0.99997955  1.0
  Tm  Tm1  1  0.33333300  0.66666700  0.25000000  1.0
  Tm  Tm2  1  -0.00000000  0.00000000  0.50002045  1.0
  Tm  Tm3  1  0.66666600  0.33333300  0.75000000  1.0

Get direct link