TmCo2

Traditional Materials TRA

MP-ID: mp-632 · Space group: Fd-3m (#227)

Materials Project API

Basic Information

Formula

TmCo2

MP-ID

mp-632

Elements

Sites

Density

10.7404

g/cm³

Volume

88.68

Å³

Cell a

5.0055

Cell b

5.0063

Cell c

5.0055

α Angle

59.99

β Angle

60.00

γ Angle

60.00

Space Group

Fd-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

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
21.74	4.0874	38.1	(1,1,1)
21.74	4.0872	38.1	(0,1,0)
21.75	4.0870	38.1	(1,0,0)
21.75	4.0864	38.1	(0,0,1)
35.88	2.5031	100.0	(1,2,1)
35.88	2.5029	100.0	(1,-1,0)
35.88	2.5028	100.0	(2,1,1)
35.88	2.5028	100.0	(1,1,2)
35.88	2.5026	99.9	(1,0,-1)
35.89	2.5024	99.9	(0,1,-1)
42.34	2.1347	72.9	(0,2,1)
42.34	2.1347	72.9	(1,2,2)
42.34	2.1346	72.9	(1,-1,-1)
42.34	2.1345	72.9	(2,2,1)
42.35	2.1344	72.9	(0,1,2)
42.35	2.1343	72.9	(2,1,2)
42.35	2.1343	72.9	(1,2,0)
42.35	2.1343	72.8	(2,0,1)
42.35	2.1343	72.9	(2,1,0)
42.35	2.1342	72.9	(1,-1,1)
42.35	2.1341	72.8	(1,0,2)
42.35	2.1341	72.8	(1,1,-1)
44.32	2.0437	29.5	(2,2,2)
44.33	2.0436	29.5	(0,2,0)

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Energy Properties

Formation Energy/atom

-0.24496

eV/atom

Energy/atom

-6.49474

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-20.7260

eV/atom

Volume/atom

14.78

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.2014

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.047380

μB/Å³

Elastic Properties

K_VRH

36.569

GPa

G_VRH

133.594

GPa

Young's Modulus E

180.717

GPa

Poisson Ratio ν

-0.324

Pugh Ratio K/G

0.274

Vickers Hardness Est.

GPa

Ductility

Ductile

Anisotropy

-9.700

Lame λ

-52.494

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Co · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.788

Family

Co-based Alloy

Matrix Element

Co · 0.667

Related Tasks

Related computation task IDs (5)

aaadmkwe aaadszaz aaaelhkp aaaeuusg aaafxhrq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-632

Reference Citation

The crystal structure and related material properties of TmCo2 were obtained from the Materials Project database (MP-ID: mp-632, 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_TmCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00553907
_cell_length_b   5.00628037
_cell_length_c   5.00553598
_cell_angle_alpha   59.98500551
_cell_angle_beta   59.99628208
_cell_angle_gamma   59.99921408
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmCo2
_chemical_formula_sum   'Tm2 Co4'
_cell_volume   88.68243183
_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
  Tm  Tm0  1  0.87500477  0.87499045  0.87501115  1.0
  Tm  Tm1  1  0.12499323  0.12500955  0.12498985  1.0
  Co  Co2  1  0.50000000  0.50000000  0.50000000  1.0
  Co  Co3  1  0.50000000  0.50000000  -0.00000000  1.0
  Co  Co4  1  0.00000100  0.49999900  0.50000000  1.0
  Co  Co5  1  0.50000000  0.00000100  0.50000000  1.0

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