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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204670

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-1204670
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 5
  • Element list: ['H', 'C', 'S', 'I', 'N']
  • Chemical System: C-H-I-N-S
  • Density: 1.7838721661350057
  • Atomic Density: 0.04762192164603899
  • Unit Cell Volume: 755.9543747011801
  • Molar Volume: 12.645732368300804
  • Full Formula: H16 C4 S4 I4 N8
  • Reduced Formula: H4CSIN2
  • Formula Anonymous: ABCD2E4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -194.49745148
  • Final energy per atom: -5.402706985555556
  • 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.