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  1. Third-Parties
  2. MatprojStructure
  3. mp-10428

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-10428
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['Cu', 'Si', 'Se']
  • Chemical System: Cu-Se-Si
  • Density: 6.239844164431358
  • Atomic Density: 0.05579595782226645
  • Unit Cell Volume: 537.6733579081588
  • Molar Volume: 10.793148814082638
  • Full Formula: Cu16 Si2 Se12
  • Reduced Formula: Cu8SiSe6
  • Formula Anonymous: AB6C8
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -127.7889764
  • Final energy per atom: -4.2596325466666665
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.