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  1. Third-Parties
  2. MatprojStructure
  3. mp-560102

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-560102
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 5
  • Element list: ['Rb', 'U', 'S', 'O', 'F']
  • Chemical System: F-O-Rb-S-U
  • Density: 4.441124089114573
  • Atomic Density: 0.056837114472475386
  • Unit Cell Volume: 2111.296484942293
  • Molar Volume: 10.595437182013091
  • Full Formula: Rb12 U12 S12 O72 F12
  • Reduced Formula: RbUSO6F
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -919.32684855
  • Final energy per atom: -7.66105707125
  • 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.