ErTm3

Traditional Materials TRA

MP-ID: mp-1184302 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

ErTm3

MP-ID

mp-1184302

Elements

Sites

Density

9.1114

g/cm³

Volume

245.69

Å³

Cell a

7.0638

Cell b

7.0638

Cell c

5.6857

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
29.20	3.0587	15.6	(2,-2,0,0)
29.20	3.0587	7.8	(2,0,-2,0)
31.47	2.8428	25.7	(0,0,0,2)
33.26	2.6937	100.0	(2,0,-2,1)
43.46	2.0823	10.7	(2,-2,0,2)
43.46	2.0823	5.3	(2,0,-2,2)
51.77	1.7660	6.4	(2,-4,2,0)
51.77	1.7660	12.9	(4,-2,-2,0)
57.18	1.6110	7.2	(2,-2,0,3)
57.18	1.6110	14.3	(2,0,-2,3)
60.54	1.5294	2.0	(4,-4,0,0)
60.54	1.5294	1.0	(4,0,-4,0)
61.85	1.5001	7.5	(2,-4,2,2)
61.85	1.5001	15.1	(4,-2,-2,2)
62.93	1.4769	5.4	(4,-4,0,1)
62.93	1.4769	5.4	(0,4,-4,1)
62.93	1.4769	5.4	(4,0,-4,1)
65.69	1.4214	3.1	(0,0,0,4)
69.83	1.3468	1.3	(4,-4,0,2)
69.83	1.3468	1.3	(0,4,-4,2)
69.83	1.3468	1.3	(4,0,-4,2)
73.46	1.2890	3.4	(2,0,-2,4)
80.74	1.1902	5.3	(4,-4,0,3)
80.74	1.1902	2.7	(4,0,-4,3)

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Energy Properties

Formation Energy/atom

-0.01794

eV/atom

Energy/atom

-34.84009

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-34.8401

eV/atom

Volume/atom

30.71

Å³

c/a Ratio

0.8049

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

5.1255

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.020860

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tm · 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

Tm · 0.750

Related Tasks

Related computation task IDs (2)

aaadvepk aaaemopl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1184302

Reference Citation

The crystal structure and related material properties of ErTm3 were obtained from the Materials Project database (MP-ID: mp-1184302, 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_ErTm3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06384092
_cell_length_b   7.06384200
_cell_length_c   5.68566046
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000928
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErTm3
_chemical_formula_sum   'Er2 Tm6'
_cell_volume   245.69334799
_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  0.33333400  0.66666800  0.75000000  1.0
  Er  Er1  1  0.66666600  0.33333400  0.25000000  1.0
  Tm  Tm2  1  0.16643371  0.33286641  0.25000000  1.0
  Tm  Tm3  1  0.66713459  0.83356729  0.25000000  1.0
  Tm  Tm4  1  0.16643371  0.83356729  0.25000000  1.0
  Tm  Tm5  1  0.83356929  0.66713658  0.75000000  1.0
  Tm  Tm6  1  0.33286342  0.16643271  0.75000000  1.0
  Tm  Tm7  1  0.83356829  0.16643271  0.75000000  1.0

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