Ce3Tm

Traditional Materials TRA

MP-ID: mp-1183769 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Ce3Tm

MP-ID

mp-1183769

Elements

Sites

Density

8.1552

g/cm³

Volume

239.98

Å³

Cell a

6.9682

Cell b

6.9682

Cell c

5.7069

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 17)

2θ	d (Å)	I	hkl
29.61	3.0173	23.3	(2,0,-2,0)
31.35	2.8534	26.7	(0,0,0,2)
33.60	2.6674	100.0	(2,0,-2,1)
43.66	2.0732	16.1	(2,0,-2,2)
52.53	1.7420	18.8	(4,-2,-2,0)
57.25	1.6092	21.7	(2,0,-2,3)
61.46	1.5087	2.9	(4,0,-4,0)
62.46	1.4869	22.2	(4,-2,-2,2)
63.82	1.4586	15.6	(4,0,-4,1)
65.41	1.4267	3.2	(0,0,0,4)
70.62	1.3337	3.9	(4,0,-4,2)
73.41	1.2898	3.5	(2,0,-2,4)
81.41	1.1820	7.9	(4,0,-4,3)
85.06	1.1404	1.6	(6,-2,-4,0)
87.16	1.1183	9.1	(6,-2,-4,1)
87.16	1.1183	4.5	(4,2,-6,1)
88.60	1.1038	8.8	(4,-2,-2,4)

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Energy Properties

Formation Energy/atom

0.13915

eV/atom

Energy/atom

-31.77159

eV/atom

Energy above Hull

0.1392

eV/atom

Uncorrected Energy

-5.4296

eV/atom

Volume/atom

30.00

Å³

c/a Ratio

0.8190

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

5.3221

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.022180

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ce · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.549

Family

Binary Alloy

Matrix Element

Ce · 0.750

Related Tasks

Related computation task IDs (2)

aaadeess aaadvfuf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1183769

Reference Citation

The crystal structure and related material properties of Ce3Tm were obtained from the Materials Project database (MP-ID: mp-1183769, 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…

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Raw CIF Data

# generated using pymatgen
data_Ce3Tm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96817426
_cell_length_b   6.96817426
_cell_length_c   5.70686800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000245
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce3Tm
_chemical_formula_sum   'Ce6 Tm2'
_cell_volume   239.97525072
_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
  Ce  Ce0  1  0.16703400  0.33406800  0.25000000  1.0
  Ce  Ce1  1  0.66593200  0.83296600  0.25000000  1.0
  Ce  Ce2  1  0.16703400  0.83296600  0.25000000  1.0
  Ce  Ce3  1  0.83296600  0.66593200  0.75000000  1.0
  Ce  Ce4  1  0.33406800  0.16703400  0.75000000  1.0
  Ce  Ce5  1  0.83296600  0.16703400  0.75000000  1.0
  Tm  Tm6  1  0.33333300  0.66666700  0.75000000  1.0
  Tm  Tm7  1  0.66666700  0.33333300  0.25000000  1.0

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