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  1. Third-Parties
  2. MatprojStructure
  3. mp-758621

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-758621
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['V', 'C', 'O']
  • Chemical System: C-O-V
  • Density: 2.438292302014341
  • Atomic Density: 0.07730123787150664
  • Unit Cell Volume: 465.7105240648372
  • Molar Volume: 7.790484248143937
  • Full Formula: V4 C8 O24
  • Reduced Formula: V(CO3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -298.89492829999995
  • Final energy per atom: -8.302636897222222
  • 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.