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  1. Third-Parties
  2. MatprojStructure
  3. mp-707208

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-707208
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 6
  • Element list: ['H', 'C', 'Se', 'S', 'N', 'Cl']
  • Chemical System: C-Cl-H-N-S-Se
  • Density: 1.9209814858978667
  • Atomic Density: 0.07275550498317138
  • Unit Cell Volume: 1044.5944951873962
  • Molar Volume: 8.27723037781532
  • Full Formula: H32 C8 Se4 S8 N16 Cl8
  • Reduced Formula: H8C2SeS2(N2Cl)2
  • Formula Anonymous: AB2C2D2E4F8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -414.57654054
  • Final energy per atom: -5.454954480789474
  • 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.