Th7Co3

Traditional Materials TRA

MP-ID: mp-30565 · Space group: P6_3mc (#186)

Materials Project API

Basic Information

Formula

Th7Co3

MP-ID

mp-30565

Elements

Sites

Density

11.8215

g/cm³

Volume

505.98

Å³

Cell a

9.7054

Cell b

9.7053

Cell c

6.2027

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3mc

Point Group

6mm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
10.53	8.4051	1.2	(1,-1,0,0)
25.60	3.4792	12.5	(2,0,-2,1)
25.60	3.4792	25.0	(2,-2,0,1)
28.09	3.1768	22.7	(3,-1,-2,0)
28.09	3.1768	11.3	(1,2,-3,0)
28.09	3.1768	11.3	(3,-2,-1,0)
28.09	3.1768	22.6	(2,-3,1,0)
28.79	3.1014	13.6	(0,0,0,2)
30.73	2.9096	43.0	(1,0,-1,2)
30.73	2.9096	85.9	(1,-1,0,2)
31.64	2.8276	100.0	(3,-1,-2,1)
31.64	2.8276	100.0	(3,-2,-1,1)
31.64	2.8275	100.0	(2,-3,1,1)
31.94	2.8017	11.2	(3,0,-3,0)
31.94	2.8017	22.5	(3,-3,0,0)
34.32	2.6133	13.2	(2,-1,-1,2)
34.32	2.6133	6.6	(1,-2,1,2)
35.15	2.5533	36.0	(3,0,-3,1)
35.15	2.5533	72.1	(3,-3,0,1)
35.99	2.4954	29.7	(2,0,-2,2)
35.99	2.4954	59.5	(2,-2,0,2)
37.05	2.4263	41.7	(4,-2,-2,0)
37.05	2.4263	20.8	(2,-4,2,0)
40.66	2.2192	4.7	(3,-1,-2,2)

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Energy Properties

Formation Energy/atom

-0.15296

eV/atom

Energy/atom

-55.55592

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-55.5559

eV/atom

Volume/atom

25.30

Å³

c/a Ratio

0.6391

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

Th · 0.700

Element Family

N/A

Solute Fraction

0.300

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.723

Family

Binary Alloy

Matrix Element

Th · 0.700

Related Tasks

Related computation task IDs (5)

aaadotmn aaadrbhu aaaelbfb aaaetnpp aaafrxxi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30565

Reference Citation

The crystal structure and related material properties of Th7Co3 were obtained from the Materials Project database (MP-ID: mp-30565, 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_Th7Co3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.70535916
_cell_length_b   9.70533685
_cell_length_c   6.20273879
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99992009
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th7Co3
_chemical_formula_sum   'Th14 Co6'
_cell_volume   505.98390078
_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
  Th  Th0  1  0.33333041  0.66666571  0.04758964  1.0
  Th  Th1  1  0.66666959  0.33333429  0.54758964  1.0
  Th  Th2  1  0.12572721  0.87426452  0.24684409  1.0
  Th  Th3  1  0.25145835  0.12573067  0.74685140  1.0
  Th  Th4  1  0.87427279  0.74853731  0.74684409  1.0
  Th  Th5  1  0.12572721  0.25146269  0.24684409  1.0
  Th  Th6  1  0.74854165  0.87426933  0.24685140  1.0
  Th  Th7  1  0.87427279  0.12573548  0.74684409  1.0
  Th  Th8  1  0.54428238  0.45572324  0.05144602  1.0
  Th  Th9  1  0.08855699  0.54427850  0.55145154  1.0
  Th  Th10  1  0.45571762  0.91144186  0.55144602  1.0
  Th  Th11  1  0.54428238  0.08855814  0.05144602  1.0
  Th  Th12  1  0.91144301  0.45572150  0.05145154  1.0
  Th  Th13  1  0.45571762  0.54427676  0.55144602  1.0
  Co  Co14  1  0.81544649  0.18455690  0.29584375  1.0
  Co  Co15  1  0.63088916  0.81544408  0.79584069  1.0
  Co  Co16  1  0.18455351  0.36910842  0.79584375  1.0
  Co  Co17  1  0.81544649  0.63089158  0.29584375  1.0
  Co  Co18  1  0.36911084  0.18455592  0.29584069  1.0
  Co  Co19  1  0.18455351  0.81544310  0.79584375  1.0

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