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  1. Third-Parties
  2. MatprojStructure
  3. mp-560900

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-560900
  • 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: 56
  • Number of elements: 5
  • Element list: ['Rb', 'Sb', 'C', 'O', 'F']
  • Chemical System: C-F-O-Rb-Sb
  • Density: 3.587208281784647
  • Atomic Density: 0.05906994617373186
  • Unit Cell Volume: 948.0286275409363
  • Molar Volume: 10.194931856359162
  • Full Formula: Rb4 Sb8 C8 O16 F20
  • Reduced Formula: RbSb2C2O4F5
  • Formula Anonymous: AB2C2D4E5
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -353.68874683
  • Final energy per atom: -6.315870479107143
  • 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.