TbHo(Tc2P)4

高熵材料 HEA

MP-ID: mp-3293829 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

TbHo(Tc2P)4

MP-ID

mp-3293829

Elements

Sites

Density

9.6102

g/cm³

Volume

212.83

Å³

Cell a

7.3564

Cell b

7.3564

Cell c

3.9329

α Angle

90.00

β Angle

90.00

γ Angle

89.87

Space Group

Cmmm

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
17.03	5.2076	1.1	(1,1,0)
17.06	5.1960	1.2	(1,-1,0)
24.20	3.6782	20.0	(2,0,0)
25.69	3.4683	14.6	(1,0,1)
28.44	3.1384	12.6	(1,1,1)
28.46	3.1359	11.7	(1,-1,1)
34.44	2.6038	4.1	(2,2,0)
34.52	2.5980	4.3	(2,-2,0)
35.56	2.5247	100.0	(2,1,1)
35.60	2.5221	99.7	(2,-1,1)
38.68	2.3279	45.3	(3,1,0)
38.73	2.3247	44.5	(3,-1,0)
41.60	2.1711	36.0	(2,2,1)
41.67	2.1677	38.1	(2,-2,1)
44.35	2.0424	6.1	(3,2,0)
44.45	2.0382	5.5	(3,-2,0)
45.27	2.0032	28.3	(3,1,1)
45.31	2.0013	26.6	(3,-1,1)
46.16	1.9664	50.0	(0,0,2)
51.17	1.7851	13.9	(4,1,0)
51.23	1.7833	14.4	(4,-1,0)
52.73	1.7359	3.3	(3,3,0)
52.79	1.7342	5.3	(2,0,2)
52.86	1.7320	3.1	(3,-3,0)

Get direct link

Energy Properties

Formation Energy/atom

-0.79580

eV/atom

Energy/atom

-22.78390

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.7839

eV/atom

Volume/atom

15.20

Å³

c/a Ratio

0.5346

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0004

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tc · 0.571

Element Family

4d-TM

Solute Fraction

0.429

Interstitial Fraction

0.286

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0547

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7689

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.068%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3183

smaller = more stable mixing

VEC

5.714

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7608

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfknt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293829

Reference Citation

The crystal structure and related material properties of TbHo(Tc2P)4 were obtained from the Materials Project database (MP-ID: mp-3293829, 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_TbHo(Tc2P)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.35639808
_cell_length_b   7.35639808
_cell_length_c   3.93286729
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.87204257
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbHo(Tc2P)4
_chemical_formula_sum   'Tb1 Ho1 Tc8 P4'
_cell_volume   212.83284624
_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
  Tb  Tb0  1  0.50000000  0.50000000  0.00000000  1.0
  Ho  Ho1  1  0.00000000  0.00000000  0.50000000  1.0
  Tc  Tc2  1  0.58328513  0.16036732  0.50000000  1.0
  Tc  Tc3  1  0.41671487  0.83963268  0.50000000  1.0
  Tc  Tc4  1  0.08244415  0.33880804  0.00000000  1.0
  Tc  Tc5  1  0.91755585  0.66119196  0.00000000  1.0
  Tc  Tc6  1  0.16036732  0.58328513  0.50000000  1.0
  Tc  Tc7  1  0.83963268  0.41671487  0.50000000  1.0
  Tc  Tc8  1  0.33880804  0.08244415  0.00000000  1.0
  Tc  Tc9  1  0.66119196  0.91755585  0.00000000  1.0
  P  P10  1  0.71185279  0.71185279  0.50000000  1.0
  P  P11  1  0.28814721  0.28814721  0.50000000  1.0
  P  P12  1  0.21048381  0.78951619  0.00000000  1.0
  P  P13  1  0.78951619  0.21048381  0.00000000  1.0

Get direct link