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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214223

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-1214223
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['C', 'S', 'N', 'Cl']
  • Chemical System: C-Cl-N-S
  • Density: 1.8532547001530437
  • Atomic Density: 0.042818783389218726
  • Unit Cell Volume: 747.3355725482203
  • Molar Volume: 14.064250040126796
  • Full Formula: C8 S8 N4 Cl12
  • Reduced Formula: C2S2NCl3
  • Formula Anonymous: AB2C2D3
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -169.11294423
  • Final energy per atom: -5.2847795071875
  • 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.