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  1. Third-Parties
  2. MatprojStructure
  3. mp-731583

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-731583
  • 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: 90
  • Number of elements: 5
  • Element list: ['Ca', 'V', 'Zn', 'Bi', 'O']
  • Chemical System: Bi-Ca-O-V-Zn
  • Density: 3.531606242487253
  • Atomic Density: 0.06838104937396312
  • Unit Cell Volume: 1316.1541219966791
  • Molar Volume: 8.806739316131349
  • Full Formula: Ca16 V14 Zn2 Bi2 O56
  • Reduced Formula: Ca8V7ZnBiO28
  • Formula Anonymous: ABC7D8E28
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -700.1035844300001
  • Final energy per atom: -7.77892871588889
  • 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.