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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226966

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-1226966
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Cd', 'Ge', 'Se', 'S']
  • Chemical System: Cd-Ge-S-Se
  • Density: 4.843266439027008
  • Atomic Density: 0.037508830173637556
  • Unit Cell Volume: 586.5285560268507
  • Molar Volume: 16.055261473423823
  • Full Formula: Cd8 Ge2 Se6 S6
  • Reduced Formula: Cd4Ge(SeS)3
  • Formula Anonymous: AB3C3D4
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -79.93416386
  • Final energy per atom: -3.6333710845454545
  • 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.