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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203823

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-1203823
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 5
  • Element list: ['Re', 'H', 'C', 'S', 'O']
  • Chemical System: C-H-O-Re-S
  • Density: 3.424942920385541
  • Atomic Density: 0.0751605422824247
  • Unit Cell Volume: 1277.2659308293512
  • Molar Volume: 8.01237002438206
  • Full Formula: Re8 H24 C8 S8 O48
  • Reduced Formula: ReH3CSO6
  • Formula Anonymous: ABCD3E6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -652.24128547
  • Final energy per atom: -6.794180056979166
  • 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.