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  1. Third-Parties
  2. MatprojStructure
  3. mp-733848

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-733848
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 6
  • Element list: ['Cd', 'Re', 'H', 'C', 'N', 'O']
  • Chemical System: C-Cd-H-N-O-Re
  • Density: 3.5403737147635774
  • Atomic Density: 0.07854179986320048
  • Unit Cell Volume: 1375.063981066236
  • Molar Volume: 7.667434118506341
  • Full Formula: Cd4 Re8 H32 C8 N16 O40
  • Reduced Formula: CdRe2H8C2(N2O5)2
  • Formula Anonymous: AB2C2D4E8F10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -754.1765948999999
  • Final energy per atom: -6.983116619444444
  • 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.