Er12Co7
传统材料 TRAMP-ID: mp-30970 · Space group: P2_1/c (#14)
Basic Information
Formula
Er12Co7
MP-ID
mp-30970
Elements
2
Sites
38
Density
9.8714
g/cm³
Volume
814.05
ų
Cell a
11.0764
Å
Cell b
8.2035
Å
Cell c
10.9311
Å
α Angle
55.04
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P2_1/c
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mP
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 12.71 | 6.9656 | 3.4 | (1,0,1) |
| 13.17 | 6.7234 | 2.9 | (0,1,0) |
| 22.18 | 4.0088 | 1.3 | (0,2,2) |
| 22.94 | 3.8774 | 3.6 | (2,1,2) |
| 23.60 | 3.7695 | 5.3 | (1,2,2) |
| 25.58 | 3.4828 | 3.5 | (2,0,2) |
| 26.03 | 3.4233 | 14.8 | (1,1,3) |
| 26.10 | 3.4136 | 6.6 | (3,0,1) |
| 26.16 | 3.4058 | 8.8 | (2,1,-1) |
| 26.51 | 3.3617 | 49.0 | (0,2,0) |
| 26.58 | 3.3536 | 1.3 | (3,1,1) |
| 27.57 | 3.2359 | 16.0 | (2,2,1) |
| 29.25 | 3.0533 | 33.7 | (3,1,2) |
| 29.60 | 3.0181 | 29.3 | (2,1,3) |
| 29.63 | 3.0150 | 2.7 | (0,1,-2) |
| 30.73 | 2.9092 | 17.0 | (1,1,-2) |
| 30.86 | 2.8979 | 5.2 | (2,2,3) |
| 31.02 | 2.8833 | 48.7 | (1,0,3) |
| 31.40 | 2.8491 | 2.3 | (3,0,2) |
| 31.89 | 2.8065 | 59.1 | (3,1,-1) |
| 32.98 | 2.7158 | 3.2 | (3,2,2) |
| 33.07 | 2.7091 | 72.8 | (3,2,1) |
| 33.85 | 2.6480 | 22.0 | (2,1,-2) |
| 33.88 | 2.6456 | 87.5 | (4,0,1) |
Energy Properties
Formation Energy/atom
-0.20208
eV/atom
Energy/atom
-5.71506
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-5.7151
eV/atom
Volume/atom
21.42
ų
c/a Ratio
0.9869
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.1893
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000230
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Er · 0.632
Element Family
N/A
Solute Fraction
0.368
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.683
Family
Binary Alloy
Matrix Element
Er · 0.632
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30970
Reference Citation
The crystal structure and related material properties of Er12Co7 were obtained from the Materials Project database (MP-ID: mp-30970, 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_Er12Co7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.07638400
_cell_length_b 8.20347400
_cell_length_c 10.93104968
_cell_angle_alpha 55.04292139
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er12Co7
_chemical_formula_sum 'Er24 Co14'
_cell_volume 814.04763688
_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
Er Er0 1 0.70513400 0.23540100 0.53747500 1.0
Er Er1 1 0.20513400 0.76459900 0.96252500 1.0
Er Er2 1 0.84218800 0.50184400 0.65805300 1.0
Er Er3 1 0.34218800 0.49815600 0.84194700 1.0
Er Er4 1 0.15781200 0.49815600 0.34194700 1.0
Er Er5 1 0.65781200 0.50184400 0.15805300 1.0
Er Er6 1 0.00478400 0.84722900 0.35469300 1.0
Er Er7 1 0.50478400 0.15277100 0.14530700 1.0
Er Er8 1 0.99521600 0.15277100 0.64530700 1.0
Er Er9 1 0.49521600 0.84722900 0.85469300 1.0
Er Er10 1 0.79486600 0.23540100 0.03747500 1.0
Er Er11 1 0.29486600 0.76459900 0.46252500 1.0
Er Er12 1 0.92774200 0.77083200 0.08674700 1.0
Er Er13 1 0.42774200 0.22916800 0.41325300 1.0
Er Er14 1 0.07225800 0.22916800 0.91325300 1.0
Er Er15 1 0.57225800 0.77083200 0.58674700 1.0
Er Er16 1 0.30062500 0.24960900 0.67493000 1.0
Er Er17 1 0.80062500 0.75039100 0.82507000 1.0
Er Er18 1 0.69937500 0.75039100 0.32507000 1.0
Er Er19 1 0.19937500 0.24960900 0.17493000 1.0
Er Er20 1 0.92909100 0.26911200 0.30347300 1.0
Er Er21 1 0.42909100 0.73088800 0.19652700 1.0
Er Er22 1 0.07090900 0.73088800 0.69652700 1.0
Er Er23 1 0.57090900 0.26911200 0.80347300 1.0
Co Co24 1 0.50000000 0.50000000 0.50000000 1.0
Co Co25 1 0.00000000 0.50000000 0.00000000 1.0
Co Co26 1 0.67097100 0.91036900 0.03074300 1.0
Co Co27 1 0.17097100 0.08963100 0.46925700 1.0
Co Co28 1 0.32902900 0.08963100 0.96925700 1.0
Co Co29 1 0.82902900 0.91036900 0.53074300 1.0
Co Co30 1 0.40180400 0.49221900 0.09986400 1.0
Co Co31 1 0.90180400 0.50778100 0.40013600 1.0
Co Co32 1 0.59819600 0.50778100 0.90013600 1.0
Co Co33 1 0.09819600 0.49221900 0.59986400 1.0
Co Co34 1 0.81063500 0.09751700 0.84360600 1.0
Co Co35 1 0.31063500 0.90248300 0.65639400 1.0
Co Co36 1 0.18936500 0.90248300 0.15639400 1.0
Co Co37 1 0.68936500 0.09751700 0.34360600 1.0
