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  1. Third-Parties
  2. MatprojStructure
  3. mp-556522

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-556522
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['K', 'Cu', 'Bi', 'S']
  • Chemical System: Bi-Cu-K-S
  • Density: 5.113814080367294
  • Atomic Density: 0.03825748694324272
  • Unit Cell Volume: 1045.5469816755713
  • Molar Volume: 15.741077737108577
  • Full Formula: K6 Cu4 Bi10 S20
  • Reduced Formula: K3Cu2(BiS2)5
  • Formula Anonymous: A2B3C5D10
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -178.36821624000004
  • Final energy per atom: -4.459205406000001
  • 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.