Er3Tm

Traditional Materials TRA

MP-ID: mp-1184192 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Er3Tm

MP-ID

mp-1184192

Elements

Sites

Density

8.9879

g/cm³

Volume

247.83

Å³

Cell a

7.0897

Cell b

7.0897

Cell c

5.6934

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

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
29.09	3.0699	23.4	(2,-2,0,0)
29.09	3.0699	23.4	(0,2,-2,0)
29.09	3.0699	23.4	(2,0,-2,0)
31.43	2.8467	76.8	(0,0,0,2)
33.15	2.7021	100.0	(2,-2,0,1)
33.15	2.7021	100.0	(0,2,-2,1)
33.15	2.7021	100.0	(2,0,-2,1)
43.35	2.0874	32.0	(2,-2,0,2)
43.35	2.0874	16.0	(2,0,-2,2)
51.56	1.7724	19.3	(2,-4,2,0)
51.56	1.7724	19.3	(4,-2,-2,0)
51.56	1.7724	19.3	(2,2,-4,0)
57.05	1.6143	42.9	(2,-2,0,3)
57.05	1.6143	21.4	(2,0,-2,3)
60.30	1.5350	3.0	(4,-4,0,0)
60.30	1.5350	3.0	(0,4,-4,0)
60.30	1.5350	3.0	(4,0,-4,0)
61.64	1.5046	22.6	(2,-4,2,2)
61.64	1.5046	22.6	(4,-2,-2,2)
61.64	1.5046	22.6	(2,2,-4,2)
62.69	1.4820	16.1	(4,-4,0,1)
62.69	1.4820	16.1	(0,4,-4,1)
62.69	1.4820	16.1	(4,0,-4,1)
65.59	1.4234	9.4	(0,0,0,4)

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Energy Properties

Formation Energy/atom

-0.01006

eV/atom

Energy/atom

-34.23440

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-34.2344

eV/atom

Volume/atom

30.98

Å³

c/a Ratio

0.8031

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

5.0714

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.020460

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Er · 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

0.641

Family

Binary Alloy

Matrix Element

Er · 0.750

Related Tasks

Related computation task IDs (4)

aaadojyo aaadvdlk aaaeldhi aaafichw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1184192

Reference Citation

The crystal structure and related material properties of Er3Tm were obtained from the Materials Project database (MP-ID: mp-1184192, 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_Er3Tm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08966783
_cell_length_b   7.08967558
_cell_length_c   5.69341945
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00005119
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er3Tm
_chemical_formula_sum   'Er6 Tm2'
_cell_volume   247.83111951
_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
  Er  Er0  1  0.16689210  0.33378248  0.25000000  1.0
  Er  Er1  1  0.66621787  0.83310944  0.25000000  1.0
  Er  Er2  1  0.16689210  0.83310961  0.25000000  1.0
  Er  Er3  1  0.83310590  0.66621452  0.75000000  1.0
  Er  Er4  1  0.33378513  0.16689356  0.75000000  1.0
  Er  Er5  1  0.83310690  0.16689239  0.75000000  1.0
  Tm  Tm6  1  0.33333197  0.66666598  0.75000000  1.0
  Tm  Tm7  1  0.66666803  0.33333502  0.25000000  1.0

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