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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196487

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-1196487
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 6
  • Element list: ['Rb', 'U', 'H', 'Se', 'O', 'F']
  • Chemical System: F-H-O-Rb-Se-U
  • Density: 4.3040761347304555
  • Atomic Density: 0.06292767070187592
  • Unit Cell Volume: 1652.6910791392072
  • Molar Volume: 9.569940684012122
  • Full Formula: Rb8 U8 H16 Se8 O56 F8
  • Reduced Formula: RbUH2SeO7F
  • Formula Anonymous: ABCDE2F7
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -705.34326948
  • Final energy per atom: -6.782146821923077
  • 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.