Eu2TmO4

高熵材料 HEA 传统材料 TRA

MP-ID: mp-3295713 · Space group: Pbam (#55)

Materials Project API

Basic Information

Formula

Eu2TmO4

MP-ID

mp-3295713

Elements

Sites

Density

8.6652

g/cm³

Volume

205.76

Å³

Cell a

5.8891

Cell b

10.1321

Cell c

3.4484

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pbam

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

Packing Fraction

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
17.42	5.0915	5.4	(1,1,0)
23.16	3.8405	9.6	(1,2,0)
25.84	3.4484	7.7	(0,0,1)
30.36	2.9445	31.1	(2,0,0)
30.51	2.9298	100.0	(1,3,0)
31.33	2.8552	89.9	(1,1,1)
31.38	2.8507	42.1	(0,2,1)
31.64	2.8276	13.3	(2,1,0)
34.97	2.5659	3.2	(1,2,1)
35.44	2.5330	2.1	(0,4,0)
38.70	2.3269	7.7	(1,4,0)
40.40	2.2327	8.1	(1,3,1)
41.29	2.1865	24.1	(2,1,1)
44.22	2.0481	42.1	(2,2,1)
44.37	2.0415	12.4	(0,4,1)
47.12	1.9289	4.3	(1,4,1)
47.16	1.9272	1.8	(3,1,0)
47.34	1.9203	1.2	(2,4,0)
49.82	1.8304	8.5	(3,2,0)
53.12	1.7242	16.0	(0,0,2)
54.03	1.6972	9.4	(3,3,0)
54.33	1.6887	11.6	(0,6,0)
54.55	1.6823	9.9	(3,1,1)
54.71	1.6777	12.5	(2,4,1)

Get direct link

Energy Properties

Formation Energy/atom

-3.49980

eV/atom

Energy/atom

-22.93594

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.9359

eV/atom

Volume/atom

14.70

Å³

c/a Ratio

0.5856

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

26.0005

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.126360

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.571

Element Family

Metalloid-Nonmetal

Solute Fraction

0.429

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9557

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9457

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

53.760%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.1004

smaller = more stable mixing

VEC

6.143

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8699

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnif

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295713

Reference Citation

The crystal structure and related material properties of Eu2TmO4 were obtained from the Materials Project database (MP-ID: mp-3295713, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Eu2TmO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88908186
_cell_length_b   10.13207335
_cell_length_c   3.44838609
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu2TmO4
_chemical_formula_sum   'Eu4 Tm2 O8'
_cell_volume   205.76040228
_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  0.56340536  0.17544527  0.50000000  1.0
  Eu  Eu1  1  0.06340536  0.32455473  0.50000000  1.0
  Eu  Eu2  1  0.93659464  0.67544527  0.50000000  1.0
  Eu  Eu3  1  0.43659464  0.82455473  0.50000000  1.0
  Tm  Tm4  1  0.00000000  0.00000000  0.00000000  1.0
  Tm  Tm5  1  0.50000000  0.50000000  0.00000000  1.0
  O  O6  1  0.85376720  0.20226259  0.00000000  1.0
  O  O7  1  0.35376720  0.29773741  0.00000000  1.0
  O  O8  1  0.64623180  0.70226359  0.00000000  1.0
  O  O9  1  0.14623280  0.79773641  0.00000000  1.0
  O  O10  1  0.23976763  0.03868577  0.50000000  1.0
  O  O11  1  0.73976763  0.46131523  0.50000000  1.0
  O  O12  1  0.26023137  0.53868577  0.50000000  1.0
  O  O13  1  0.76023137  0.96131423  0.50000000  1.0

Get direct link