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  1. Third-Parties
  2. MatprojStructure
  3. mp-627575

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-627575
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 29
  • Number of elements: 4
  • Element list: ['K', 'Zr', 'C', 'Br']
  • Chemical System: Br-C-K-Zr
  • Density: 3.8044515182432295
  • Atomic Density: 0.030845459431263614
  • Unit Cell Volume: 940.170791251268
  • Molar Volume: 19.523589115019703
  • Full Formula: K4 Zr6 C1 Br18
  • Reduced Formula: K4Zr6CBr18
  • Formula Anonymous: AB4C6D18
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -148.63701183
  • Final energy per atom: -5.1254142010344825
  • 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.