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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194749

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-1194749
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Cs', 'Zn', 'Ge', 'Se']
  • Chemical System: Cs-Ge-Se-Zn
  • Density: 4.048113032081938
  • Atomic Density: 0.028903331481951462
  • Unit Cell Volume: 1937.492916170197
  • Molar Volume: 20.835455469071082
  • Full Formula: Cs8 Zn4 Ge12 Se32
  • Reduced Formula: Cs2ZnGe3Se8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -229.52286326
  • Final energy per atom: -4.098622558214286
  • 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.