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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199139

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-1199139
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 5
  • Element list: ['Re', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-Re
  • Density: 2.0737009226480563
  • Atomic Density: 0.08470452904894409
  • Unit Cell Volume: 1038.9054869681374
  • Molar Volume: 7.109585316884624
  • Full Formula: Re4 H48 C16 N4 O16
  • Reduced Formula: ReH12C4NO4
  • Formula Anonymous: ABC4D4E12
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -531.38078693
  • Final energy per atom: -6.0384180332954545
  • 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.