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  1. Third-Parties
  2. MatprojStructure
  3. mp-635020

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-635020
  • 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: 38
  • Number of elements: 3
  • Element list: ['Cs', 'Bi', 'O']
  • Chemical System: Bi-Cs-O
  • Density: 5.741610407195294
  • Atomic Density: 0.03696285693688357
  • Unit Cell Volume: 1028.0590611512366
  • Molar Volume: 16.29241151538472
  • Full Formula: Cs12 Bi8 O18
  • Reduced Formula: Cs6Bi4O9
  • Formula Anonymous: A4B6C9
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -193.2817995
  • Final energy per atom: -5.0863631447368425
  • 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.