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  1. Third-Parties
  2. MatprojStructure
  3. mp-18309

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-18309
  • 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: 24
  • Number of elements: 3
  • Element list: ['Ba', 'Cd', 'S']
  • Chemical System: Ba-Cd-S
  • Density: 4.600372694969873
  • Atomic Density: 0.03439650531036261
  • Unit Cell Volume: 697.7453024208694
  • Molar Volume: 17.508001774196853
  • Full Formula: Ba8 Cd4 S12
  • Reduced Formula: Ba2CdS3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -113.2310194
  • Final energy per atom: -4.717959141666666
  • 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.