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Mn14Si23

传统材料 TRA

MP-ID: mp-650285 · Space group: Pnnm (#58)

Materials Project API

Basic Information

Formula
Mn14Si23
MP-ID
mp-650285
Elements
2
Sites
74
Density
4.9465
g/cm³
Volume
950.10
ų
Cell a
4.9866
Å
Cell b
13.6276
Å
Cell c
13.9813
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnnm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
Stability
No
Packing Fraction
-

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
9.06 9.7588 2.1 (0,1,1)
12.66 6.9906 2.2 (0,0,2)
12.99 6.8138 2.0 (0,2,0)
14.24 6.2200 5.0 (0,1,2)
14.46 6.1251 5.8 (0,2,1)
18.18 4.8794 1.6 (0,2,2)
18.89 4.6968 1.1 (1,0,1)
18.95 4.6829 1.1 (1,1,0)
20.14 4.4097 3.3 (0,1,3)
20.56 4.3202 2.6 (0,3,1)
22.86 3.8906 15.8 (1,1,2)
23.00 3.8671 1.4 (1,2,1)
23.12 3.8467 6.0 (0,2,3)
23.35 3.8090 5.5 (0,3,2)
25.48 3.4953 1.0 (0,0,4)
25.54 3.4875 1.6 (1,2,2)
26.54 3.3581 6.3 (1,3,0)
26.94 3.3101 6.3 (0,4,1)
27.31 3.2652 3.6 (1,3,1)
28.70 3.1100 7.7 (0,2,4)
29.16 3.0626 5.8 (0,4,2)
29.32 3.0458 3.0 (1,2,3)
29.51 3.0270 5.2 (1,3,2)
31.95 2.8011 1.9 (1,1,4)
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Energy Properties

Formation Energy/atom
0.29446
eV/atom
Energy/atom
-10.71536
eV/atom
Energy above Hull
0.5878
eV/atom
Uncorrected Energy
-6.6882
eV/atom
Volume/atom
12.84
ų
c/a Ratio
2.8038

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
40.5303
μB
Mag. Ordering
FiM
Mag. Sites
28
Magnetization/Volume
0.042660
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Si · 0.622
Element Family
N/A
Solute Fraction
0.378
Interstitial Fraction
0.622
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.478
Family
Binary Alloy
Matrix Element
Si · 0.622

Related Tasks

Related computation task IDs (1)
aaaeayel

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-650285
Reference Citation

The crystal structure and related material properties of Mn14Si23 were obtained from the Materials Project database (MP-ID: mp-650285, 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
Raw CIF Data 
# generated using pymatgen
data_Mn14Si23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98659700
_cell_length_b   13.62763300
_cell_length_c   13.98125400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn14Si23
_chemical_formula_sum   'Mn28 Si46'
_cell_volume   950.10329963
_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
  Mn  Mn0  1  0.50000000  0.25735700  0.54148300  1.0
  Mn  Mn1  1  0.50000000  0.21311800  0.73737700  1.0
  Mn  Mn2  1  0.00000000  0.24264300  0.04148300  1.0
  Mn  Mn3  1  0.00000000  0.43025000  0.94067600  1.0
  Mn  Mn4  1  0.00000000  0.71311800  0.76262300  1.0
  Mn  Mn5  1  0.50000000  0.93025000  0.55932400  1.0
  Mn  Mn6  1  0.50000000  0.14892600  0.02603800  1.0
  Mn  Mn7  1  0.50000000  0.57168900  0.17197900  1.0
  Mn  Mn8  1  0.50000000  0.74264300  0.45851700  1.0
  Mn  Mn9  1  0.00000000  0.88727900  0.25770800  1.0
  Mn  Mn10  1  0.50000000  0.51293500  0.57683800  1.0
  Mn  Mn11  1  0.50000000  0.78688200  0.26262300  1.0
  Mn  Mn12  1  0.50000000  0.61272100  0.75770800  1.0
  Mn  Mn13  1  0.50000000  0.48706500  0.42316200  1.0
  Mn  Mn14  1  0.50000000  0.42831100  0.82802100  1.0
  Mn  Mn15  1  0.00000000  0.07168900  0.32802100  1.0
  Mn  Mn16  1  0.00000000  0.35107400  0.52603800  1.0
  Mn  Mn17  1  0.00000000  0.92831100  0.67197900  1.0
  Mn  Mn18  1  0.00000000  0.56975000  0.05932400  1.0
  Mn  Mn19  1  0.00000000  0.11272100  0.74229200  1.0
  Mn  Mn20  1  0.00000000  0.98706500  0.07683800  1.0
  Mn  Mn21  1  0.00000000  0.28688200  0.23737700  1.0
  Mn  Mn22  1  0.00000000  0.01293500  0.92316200  1.0
  Mn  Mn23  1  0.50000000  0.85107400  0.97396200  1.0
  Mn  Mn24  1  0.50000000  0.38727900  0.24229200  1.0
  Mn  Mn25  1  0.50000000  0.06975000  0.44067600  1.0
  Mn  Mn26  1  0.00000000  0.64892600  0.47396200  1.0
  Mn  Mn27  1  0.00000000  0.75735700  0.95851700  1.0
  Si  Si28  1  0.00000000  0.31141900  0.82022700  1.0
  Si  Si29  1  0.73367100  0.09672600  0.60675100  1.0
  Si  Si30  1  0.50000000  0.74588400  0.84750000  1.0
  Si  Si31  1  0.27281600  0.61150900  0.32848700  1.0
  Si  Si32  1  0.50000000  0.98738900  0.08449500  1.0
  Si  Si33  1  0.74204300  0.33805100  0.38617500  1.0
  Si  Si34  1  0.25795700  0.33805100  0.38617500  1.0
  Si  Si35  1  0.00000000  0.75411600  0.34750000  1.0
  Si  Si36  1  0.50000000  0.01884300  0.73722300  1.0
  Si  Si37  1  0.25795700  0.66194900  0.61382500  1.0
  Si  Si38  1  0.00000000  0.18429400  0.46342200  1.0
  Si  Si39  1  0.76632900  0.40327400  0.10675100  1.0
  Si  Si40  1  0.27281600  0.38849100  0.67151300  1.0
  Si  Si41  1  0.75795700  0.83805100  0.11382500  1.0
  Si  Si42  1  0.50000000  0.81141900  0.67977300  1.0
  Si  Si43  1  0.23367100  0.59672600  0.89324900  1.0
  Si  Si44  1  0.76632900  0.59672600  0.89324900  1.0
  Si  Si45  1  0.00000000  0.48115700  0.23722300  1.0
  Si  Si46  1  0.72718400  0.61150900  0.32848700  1.0
  Si  Si47  1  0.72718400  0.38849100  0.67151300  1.0
  Si  Si48  1  0.75795700  0.16194900  0.88617500  1.0
  Si  Si49  1  0.00000000  0.81570600  0.53657800  1.0
  Si  Si50  1  0.50000000  0.18858100  0.32022700  1.0
  Si  Si51  1  0.23367100  0.40327400  0.10675100  1.0
  Si  Si52  1  0.50000000  0.68429400  0.03657800  1.0
  Si  Si53  1  0.24204300  0.16194900  0.88617500  1.0
  Si  Si54  1  0.00000000  0.00000000  0.50000000  1.0
  Si  Si55  1  0.50000000  0.01261100  0.91550500  1.0
  Si  Si56  1  0.74204300  0.66194900  0.61382500  1.0
  Si  Si57  1  0.26632900  0.90327400  0.39324900  1.0
  Si  Si58  1  0.77281600  0.88849100  0.82848700  1.0
  Si  Si59  1  0.00000000  0.68858100  0.17977300  1.0
  Si  Si60  1  0.50000000  0.98115700  0.26277700  1.0
  Si  Si61  1  0.00000000  0.24588400  0.65250000  1.0
  Si  Si62  1  0.24204300  0.83805100  0.11382500  1.0
  Si  Si63  1  0.00000000  0.51884300  0.76277700  1.0
  Si  Si64  1  0.26632900  0.09672600  0.60675100  1.0
  Si  Si65  1  0.77281600  0.11150900  0.17151300  1.0
  Si  Si66  1  0.73367100  0.90327400  0.39324900  1.0
  Si  Si67  1  0.50000000  0.31570600  0.96342200  1.0
  Si  Si68  1  0.50000000  0.50000000  0.00000000  1.0
  Si  Si69  1  0.00000000  0.51261100  0.58449500  1.0
  Si  Si70  1  0.50000000  0.25411600  0.15250000  1.0
  Si  Si71  1  0.22718400  0.88849100  0.82848700  1.0
  Si  Si72  1  0.22718400  0.11150900  0.17151300  1.0
  Si  Si73  1  0.00000000  0.48738900  0.41550500  1.0
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