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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201123

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-1201123
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 152
  • Number of elements: 5
  • Element list: ['Rb', 'B', 'S', 'Cl', 'O']
  • Chemical System: B-Cl-O-Rb-S
  • Density: 1.9373323847748414
  • Atomic Density: 0.04513032878760706
  • Unit Cell Volume: 3368.023324521839
  • Molar Volume: 13.343888515285313
  • Full Formula: Rb8 B48 S16 Cl48 O32
  • Reduced Formula: RbB6S2(Cl3O2)2
  • Formula Anonymous: AB2C4D6E6
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -842.79753216
  • Final energy per atom: -5.5447206063157894
  • 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.