Er5Tm7Tc3Pt

高熵材料 HEA

MP-ID: mp-3295809 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Er5Tm7Tc3Pt

MP-ID

mp-3295809

Elements

Sites

Density

10.2135

g/cm³

Volume

407.74

Å³

Cell a

6.1990

Cell b

7.3078

Cell c

9.0008

α Angle

89.98

β Angle

90.04

γ Angle

90.03

Space Group

Point Group

Crystal System

Triclinic

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
9.83	9.0008	3.5	(0,0,1)
12.11	7.3078	2.4	(0,1,0)
14.29	6.1990	1.7	(1,0,0)
15.62	5.6742	1.4	(0,1,1)
15.62	5.6725	1.3	(0,1,-1)
17.36	5.1070	3.9	(1,0,-1)
17.38	5.1037	3.5	(1,0,1)
18.77	4.7285	11.4	(1,-1,0)
18.78	4.7261	9.4	(1,1,0)
19.73	4.5004	8.3	(0,0,2)
21.22	4.1873	6.5	(1,-1,-1)
21.23	4.1849	7.8	(1,1,-1)
21.23	4.1848	6.3	(1,-1,1)
21.24	4.1838	7.5	(1,1,1)
23.21	3.8326	1.2	(0,1,2)
23.22	3.8315	1.2	(0,1,-2)
24.36	3.6539	3.7	(0,2,0)
24.43	3.6431	1.2	(1,0,-2)
24.45	3.6407	1.2	(1,0,2)
26.32	3.3859	5.6	(0,2,1)
26.33	3.3852	5.6	(0,2,-1)
27.35	3.2611	6.1	(1,-1,-2)
27.36	3.2597	10.3	(1,1,-2)
27.37	3.2587	6.2	(1,-1,2)

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Energy Properties

Formation Energy/atom

-0.31963

eV/atom

Energy/atom

-34.37314

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-34.3731

eV/atom

Volume/atom

25.48

Å³

c/a Ratio

1.4520

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0033

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tm · 0.438

Element Family

Lanthanide

Solute Fraction

0.563

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2123

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.0792

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.233%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3347

smaller = more stable mixing

VEC

11.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8745

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnlx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295809

Reference Citation

The crystal structure and related material properties of Er5Tm7Tc3Pt were obtained from the Materials Project database (MP-ID: mp-3295809, 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_Er5Tm7Tc3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19901186
_cell_length_b   7.30775094
_cell_length_c   9.00080946
_cell_angle_alpha   89.98219200
_cell_angle_beta   90.03947591
_cell_angle_gamma   90.02950868
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er5Tm7Tc3Pt
_chemical_formula_sum   'Er5 Tm7 Tc3 Pt1'
_cell_volume   407.74401123
_cell_formula_units_Z   1
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  0.33041298  0.67426490  0.06664439  1.0
  Er  Er1  1  0.87461123  0.54515496  0.25033253  1.0
  Er  Er2  1  0.62270587  0.03848162  0.25013744  1.0
  Er  Er3  1  0.12630305  0.45374087  0.74973551  1.0
  Er  Er4  1  0.37324305  0.96424107  0.74981358  1.0
  Tm  Tm5  1  0.16276560  0.17745815  0.43562549  1.0
  Tm  Tm6  1  0.66671012  0.32008610  0.55856180  1.0
  Tm  Tm7  1  0.83885448  0.82715759  0.93954637  1.0
  Tm  Tm8  1  0.66692528  0.32010821  0.94120090  1.0
  Tm  Tm9  1  0.83918925  0.82717998  0.56035163  1.0
  Tm  Tm10  1  0.33085540  0.67412886  0.43374949  1.0
  Tm  Tm11  1  0.16238401  0.17731864  0.06434768  1.0
  Tc  Tc12  1  0.03813288  0.88650928  0.25035713  1.0
  Tc  Tc13  1  0.46723155  0.38649261  0.25015045  1.0
  Tc  Tc14  1  0.95736676  0.11428355  0.75012152  1.0
  Pt  Pt15  1  0.54230550  0.61339262  0.74932507  1.0

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