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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208264

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-1208264
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 6
  • Element list: ['Tl', 'P', 'C', 'S', 'N', 'O']
  • Chemical System: C-N-O-P-S-Tl
  • Density: 2.2528049920865634
  • Atomic Density: 0.050784749901647316
  • Unit Cell Volume: 866.4018250599431
  • Molar Volume: 11.858167602799709
  • Full Formula: Tl2 P2 C8 S8 N16 O8
  • Reduced Formula: TlPC4S4(N2O)4
  • Formula Anonymous: ABC4D4E4F8
  • Spacegroup Number: 66
  • Spacegroup Symbol: Cccm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -264.94282861
  • Final energy per atom: -6.021427922954545
  • 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.