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  1. Third-Parties
  2. MatprojStructure
  3. mp-572674

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-572674
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 21
  • Number of elements: 4
  • Element list: ['Re', 'C', 'I', 'O']
  • Chemical System: C-I-O-Re
  • Density: 4.235106391888108
  • Atomic Density: 0.035991500103274295
  • Unit Cell Volume: 583.4710956682115
  • Molar Volume: 16.732119369073317
  • Full Formula: Re3 C6 I6 O6
  • Reduced Formula: ReC2(IO)2
  • Formula Anonymous: AB2C2D2
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -148.62071110999997
  • Final energy per atom: -7.077176719523808
  • 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.