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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224075

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-1224075
  • 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: 9
  • Number of elements: 3
  • Element list: ['K', 'Pt', 'Br']
  • Chemical System: Br-K-Pt
  • Density: 3.529110906190611
  • Atomic Density: 0.02541172510154445
  • Unit Cell Volume: 354.167218637707
  • Molar Volume: 23.698276035710744
  • Full Formula: K2 Pt1 Br6
  • Reduced Formula: K2PtBr6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -27.72626952
  • Final energy per atom: -3.080696613333333
  • 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.