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  1. Third-Parties
  2. MatprojStructure
  3. mp-558221

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-558221
  • 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: 96
  • Number of elements: 4
  • Element list: ['Ba', 'V', 'Cd', 'O']
  • Chemical System: Ba-Cd-O-V
  • Density: 4.728726215509642
  • Atomic Density: 0.06474240534530706
  • Unit Cell Volume: 1482.799403080236
  • Molar Volume: 9.301694504367875
  • Full Formula: Ba8 V16 Cd12 O60
  • Reduced Formula: Ba2V4Cd3O15
  • Formula Anonymous: A2B3C4D15
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -699.87414739
  • Final energy per atom: -7.290355701979166
  • 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.