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  1. Third-Parties
  2. MatprojStructure
  3. mp-555113

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-555113
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Rb', 'Cu', 'Bi', 'S']
  • Chemical System: Bi-Cu-Rb-S
  • Density: 5.3380892949362995
  • Atomic Density: 0.03675912400620449
  • Unit Cell Volume: 1088.1652128937699
  • Molar Volume: 16.382710205454124
  • Full Formula: Rb6 Cu4 Bi10 S20
  • Reduced Formula: Rb3Cu2(BiS2)5
  • Formula Anonymous: A2B3C5D10
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -177.36710606
  • Final energy per atom: -4.4341776515
  • 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.