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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210407

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-1210407
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 6
  • Element list: ['Re', 'C', 'S', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-N-O-Re-S
  • Density: 1.8919461471539907
  • Atomic Density: 0.03957151409653988
  • Unit Cell Volume: 1415.1593963117175
  • Molar Volume: 15.21837336147462
  • Full Formula: Re2 C8 S8 N16 Cl16 O6
  • Reduced Formula: ReC4S4N8Cl8O3
  • Formula Anonymous: AB3C4D4E8F8
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -312.93087375000005
  • Final energy per atom: -5.588051316964287
  • 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.