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  1. Third-Parties
  2. MatprojStructure
  3. mp-766026

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-766026
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 6
  • Element list: ['Rb', 'Cu', 'Sb', 'H', 'Se', 'O']
  • Chemical System: Cu-H-O-Rb-Sb-Se
  • Density: 4.8129924296844715
  • Atomic Density: 0.04389241326181527
  • Unit Cell Volume: 1002.451146569294
  • Molar Volume: 13.720231612872
  • Full Formula: Rb4 Cu4 Sb8 H8 Se16 O4
  • Reduced Formula: RbCuSb2H2Se4O
  • Formula Anonymous: ABCD2E2F4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -192.72232046
  • Final energy per atom: -4.380052737727272
  • 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.