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  1. Third-Parties
  2. MatprojStructure
  3. mp-29477

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-29477
  • 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: 30
  • Number of elements: 3
  • Element list: ['C', 'S', 'Cl']
  • Chemical System: C-Cl-S
  • Density: 1.6204174049835371
  • Atomic Density: 0.03173840046454513
  • Unit Cell Volume: 945.2272187917255
  • Molar Volume: 18.97430453915696
  • Full Formula: C4 S14 Cl12
  • Reduced Formula: C2S7Cl6
  • Formula Anonymous: A2B6C7
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -132.5349938
  • Final energy per atom: -4.417833126666666
  • 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.