Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-759588

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-759588
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 39
  • Number of elements: 3
  • Element list: ['Cr', 'Bi', 'O']
  • Chemical System: Bi-Cr-O
  • Density: 8.413115111003968
  • Atomic Density: 0.05877768044815348
  • Unit Cell Volume: 663.5171667653857
  • Molar Volume: 10.245625063942425
  • Full Formula: Cr1 Bi14 O24
  • Reduced Formula: Cr(Bi7O12)2
  • Formula Anonymous: AB14C24
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -244.59603036
  • Final energy per atom: -6.271693086153846
  • 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.