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  1. Third-Parties
  2. MatprojStructure
  3. mp-12306

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-12306
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Ba', 'Cd', 'Sn', 'S']
  • Chemical System: Ba-Cd-S-Sn
  • Density: 4.020042911384028
  • Atomic Density: 0.03411760027495575
  • Unit Cell Volume: 1641.381561091422
  • Molar Volume: 17.65112643171622
  • Full Formula: Ba8 Cd8 Sn8 S32
  • Reduced Formula: BaCdSnS4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -259.2288772
  • Final energy per atom: -4.629087092857143
  • 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.