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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217198

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-1217198
  • 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: 72
  • Number of elements: 5
  • Element list: ['V', 'Cd', 'Ni', 'P', 'O']
  • Chemical System: Cd-Ni-O-P-V
  • Density: 3.0972153799976185
  • Atomic Density: 0.06824053171905449
  • Unit Cell Volume: 1055.0914271363417
  • Molar Volume: 8.824873734561573
  • Full Formula: V4 Cd4 Ni4 P8 O52
  • Reduced Formula: VCdNiP2O13
  • Formula Anonymous: ABCD2E13
  • Spacegroup Number: 45
  • Spacegroup Symbol: Iba2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -471.16665662
  • Final energy per atom: -6.543981341944445
  • 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.