TbGe2

传统材料 TRA

MP-ID: mp-1003 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

TbGe2

MP-ID

mp-1003

Elements

Sites

Density

7.7635

g/cm³

Volume

260.27

Å³

Cell a

15.8549

Cell b

15.8549

Cell c

3.9965

α Angle

90.00

β Angle

90.00

γ Angle

164.99

Space Group

Cmmm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

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
21.64	4.1075	5.9	(1,0,0)
22.24	3.9965	2.3	(0,0,1)
22.63	3.9298	9.1	(4,-4,0)
22.96	3.8733	5.8	(1,-1,1)
25.75	3.4595	3.8	(3,-2,0)
28.08	3.1777	14.3	(3,-3,1)
28.39	3.1438	3.6	(5,-5,0)
29.33	3.0452	14.3	(4,-3,0)
31.94	2.8021	1.7	(4,-4,1)
32.27	2.7738	23.2	(2,-1,1)
33.56	2.6706	17.9	(5,-4,0)
34.23	2.6198	6.3	(6,-6,0)
34.28	2.6157	100.0	(3,-2,1)
36.36	2.4709	21.8	(5,-5,1)
37.12	2.4222	21.5	(4,-3,1)
38.26	2.3525	10.7	(6,-5,0)
40.16	2.2456	2.8	(7,-7,0)
40.63	2.2204	3.8	(5,-4,1)
43.32	2.0885	3.1	(7,-6,0)
43.70	2.0715	25.8	(1,1,0)
45.39	1.9982	23.2	(0,0,2)
46.20	1.9649	1.7	(8,-8,0)
46.38	1.9577	19.2	(7,-7,1)
48.69	1.8702	9.8	(8,-7,0)

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Energy Properties

Formation Energy/atom

-0.59304

eV/atom

Energy/atom

-20.24984

eV/atom

Energy above Hull

0.1153

eV/atom

Uncorrected Energy

-5.1549

eV/atom

Volume/atom

21.69

Å³

c/a Ratio

0.2521

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0139

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000050

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ge · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.546

Family

Binary Alloy

Matrix Element

Ge · 0.667

Related Tasks

Related computation task IDs (5)

aaadapjr aaadnagn aaadrksk aaaetppc aaafiost

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1003

Reference Citation

The crystal structure and related material properties of TbGe2 were obtained from the Materials Project database (MP-ID: mp-1003, 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…

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Raw CIF Data

# generated using pymatgen
data_TbGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.85489726
_cell_length_b   15.85489726
_cell_length_c   3.99648700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   164.98525512
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbGe2
_chemical_formula_sum   'Tb4 Ge8'
_cell_volume   260.26657374
_cell_formula_units_Z   4
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  0.31283000  0.68717000  0.50000000  1.0
  Tb  Tb1  1  0.68717000  0.31283000  0.50000000  1.0
  Tb  Tb2  1  0.42930500  0.57069500  0.00000000  1.0
  Tb  Tb3  1  0.57069500  0.42930500  0.00000000  1.0
  Ge  Ge4  1  0.09520000  0.90480000  0.50000000  1.0
  Ge  Ge5  1  0.90480000  0.09520000  0.50000000  1.0
  Ge  Ge6  1  0.22751800  0.77248200  0.00000000  1.0
  Ge  Ge7  1  0.77248200  0.22751800  0.00000000  1.0
  Ge  Ge8  1  0.00000000  0.00000000  0.00000000  1.0
  Ge  Ge9  1  0.50000000  0.50000000  0.50000000  1.0
  Ge  Ge10  1  0.85287300  0.14712700  0.00000000  1.0
  Ge  Ge11  1  0.14712700  0.85287300  0.00000000  1.0

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