TbNi

Traditional Materials TRA

MP-ID: mp-672240 · Space group: Pnma (#62)

Materials Project API

Basic Information

Formula

TbNi

MP-ID

mp-672240

Elements

Sites

Density

9.1272

g/cm³

Volume

475.11

Å³

Cell a

4.2171

Cell b

5.3814

Cell c

20.9352

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pnma

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
23.71	3.7520	1.2	(0,1,4)
25.53	3.4892	7.7	(0,0,6)
26.86	3.3193	5.2	(1,1,0)
26.98	3.3046	6.1	(0,1,5)
27.20	3.2784	36.0	(1,1,1)
28.20	3.1641	34.7	(1,1,2)
29.81	2.9975	8.1	(1,1,3)
30.53	2.9277	3.7	(0,1,6)
31.93	2.8031	42.7	(1,1,4)
33.33	2.6883	100.0	(1,0,6)
34.30	2.6142	17.7	(0,1,7)
34.48	2.6011	46.6	(1,1,5)
35.77	2.5106	90.9	(0,2,3)
37.39	2.4049	12.2	(1,1,6)
38.24	2.3534	19.1	(0,1,8)
40.60	2.2219	28.2	(1,1,7)
41.88	2.1572	80.5	(1,2,3)
42.33	2.1352	4.1	(0,1,9)
42.89	2.1086	55.8	(2,0,0)
43.48	2.0813	1.0	(1,2,4)
44.07	2.0551	13.6	(1,1,8)
46.55	1.9511	18.0	(0,1,10)
50.58	1.8046	2.7	(2,0,6)
50.89	1.7943	15.5	(0,1,11)

Get direct link

Energy Properties

Formation Energy/atom

-0.43597

eV/atom

Energy/atom

-5.64497

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.0098

eV/atom

Volume/atom

19.80

Å³

c/a Ratio

4.9643

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tb · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.624

Family

Binary Alloy

Matrix Element

Tb · 0.500

Related Tasks

Related computation task IDs (5)

aaadobar aaaduuns aaaekwic aaaetgac aaafxayi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-672240

Reference Citation

The crystal structure and related material properties of TbNi were obtained from the Materials Project database (MP-ID: mp-672240, 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_TbNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21713212
_cell_length_b   5.38143822
_cell_length_c   20.93515282
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbNi
_chemical_formula_sum   'Tb12 Ni12'
_cell_volume   475.10729815
_cell_formula_units_Z   12
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  0.75000000  0.62335219  0.10642707  1.0
  Tb  Tb1  1  0.25000000  0.12335219  0.39357293  1.0
  Tb  Tb2  1  0.75000000  0.87664781  0.60642707  1.0
  Tb  Tb3  1  0.75000000  0.39111941  0.27321808  1.0
  Tb  Tb4  1  0.75000000  0.86598170  0.93970559  1.0
  Tb  Tb5  1  0.75000000  0.10888059  0.77321808  1.0
  Tb  Tb6  1  0.25000000  0.89111941  0.22678192  1.0
  Tb  Tb7  1  0.75000000  0.63401830  0.43970559  1.0
  Tb  Tb8  1  0.25000000  0.36598170  0.56029441  1.0
  Tb  Tb9  1  0.25000000  0.37664781  0.89357293  1.0
  Tb  Tb10  1  0.25000000  0.13401830  0.06029441  1.0
  Tb  Tb11  1  0.25000000  0.60888059  0.72678192  1.0
  Ni  Ni12  1  0.25000000  0.86800910  0.84506718  1.0
  Ni  Ni13  1  0.75000000  0.37349815  0.98832213  1.0
  Ni  Ni14  1  0.75000000  0.61906317  0.82154054  1.0
  Ni  Ni15  1  0.25000000  0.62650185  0.01167787  1.0
  Ni  Ni16  1  0.75000000  0.36800910  0.65493282  1.0
  Ni  Ni17  1  0.25000000  0.38093683  0.17845946  1.0
  Ni  Ni18  1  0.25000000  0.87349815  0.51167787  1.0
  Ni  Ni19  1  0.75000000  0.13199090  0.15493282  1.0
  Ni  Ni20  1  0.75000000  0.12650185  0.48832213  1.0
  Ni  Ni21  1  0.75000000  0.88093683  0.32154054  1.0
  Ni  Ni22  1  0.25000000  0.11906317  0.67845946  1.0
  Ni  Ni23  1  0.25000000  0.63199090  0.34506718  1.0

Get direct link