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  1. Third-Parties
  2. MatprojStructure
  3. mp-727594

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-727594
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 5
  • Element list: ['Rb', 'U', 'C', 'S', 'O']
  • Chemical System: C-O-Rb-S-U
  • Density: 3.5311984565745305
  • Atomic Density: 0.056394129883736474
  • Unit Cell Volume: 1205.7992585432291
  • Molar Volume: 10.678665975369057
  • Full Formula: Rb8 U4 C8 S4 O44
  • Reduced Formula: Rb2UC2SO11
  • Formula Anonymous: ABC2D2E11
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -504.93362982
  • Final energy per atom: -7.425494556176471
  • 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.