EuTl3

Traditional Materials TRA

MP-ID: mp-1079071 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

EuTl3

MP-ID

mp-1079071

Elements

Sites

Density

11.0185

g/cm³

Volume

230.61

Å³

Cell a

5.4936

Cell b

6.9649

Cell c

6.9654

α Angle

120.08

β Angle

90.00

γ Angle

90.00

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
14.68	6.0345	1.7	(0,1,-1,-1)
14.70	6.0271	1.7	(0,0,0,1)
14.70	6.0267	1.7	(0,1,-1,0)
29.61	3.0173	23.2	(0,2,-2,-2)
29.64	3.0136	23.7	(0,0,0,2)
29.65	3.0133	23.7	(0,2,-2,0)
32.60	2.7468	74.0	(2,0,-2,0)
33.90	2.6446	100.0	(1,2,-3,-2)
33.93	2.6421	99.1	(1,0,-1,2)
33.93	2.6420	99.1	(1,2,-3,0)
44.61	2.0312	15.4	(2,2,-4,-2)
44.64	2.0301	15.7	(2,0,-2,2)
44.64	2.0300	15.7	(2,2,-4,0)
52.55	1.7414	19.2	(0,2,-2,-4)
52.56	1.7412	19.2	(0,4,-4,-2)
52.63	1.7391	19.2	(0,2,-2,2)
59.00	1.5655	20.8	(3,2,-5,-2)
59.03	1.5649	20.6	(3,0,-3,2)
59.03	1.5649	20.6	(3,2,-5,0)
61.46	1.5086	3.1	(0,4,-4,-4)
61.55	1.5068	3.0	(0,0,0,4)
61.55	1.5067	3.0	(0,4,-4,0)
63.23	1.4707	22.2	(2,-2,0,4)
63.23	1.4706	22.2	(2,4,-6,-2)

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Energy Properties

Formation Energy/atom

-0.32964

eV/atom

Energy/atom

-49.84433

eV/atom

Energy above Hull

0.0105

eV/atom

Uncorrected Energy

-49.8443

eV/atom

Volume/atom

28.83

Å³

c/a Ratio

1.2679

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

14.6010

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.063310

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tl · 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

0.634

Family

Binary Alloy

Matrix Element

Tl · 0.750

Related Tasks

Related computation task IDs (5)

aaadndir aaadsuyd aaaelkms aaaeucpk aaafskfw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079071

Reference Citation

The crystal structure and related material properties of EuTl3 were obtained from the Materials Project database (MP-ID: mp-1079071, 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_EuTl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49364438
_cell_length_b   6.96488508
_cell_length_c   6.96541807
_cell_angle_alpha   120.08384695
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuTl3
_chemical_formula_sum   'Eu2 Tl6'
_cell_volume   230.61351902
_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
  Eu  Eu0  1  0.75000000  0.66706420  0.33294494  1.0
  Eu  Eu1  1  0.25000000  0.33293614  0.66705493  1.0
  Tl  Tl2  1  0.75000000  0.16254691  0.32393734  1.0
  Tl  Tl3  1  0.75000000  0.16170966  0.83829235  1.0
  Tl  Tl4  1  0.75000000  0.67602197  0.83744686  1.0
  Tl  Tl5  1  0.25000000  0.83745247  0.67606376  1.0
  Tl  Tl6  1  0.25000000  0.83829147  0.16170732  1.0
  Tl  Tl7  1  0.25000000  0.32397719  0.16255450  1.0

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