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  1. Third-Parties
  2. MatprojStructure
  3. mp-757524

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-757524
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 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: 2.4223477098138644
  • Atomic Density: 0.07679574609210225
  • Unit Cell Volume: 468.77596523152044
  • Molar Volume: 7.841763465358563
  • Full Formula: V4 C8 O24
  • Reduced Formula: V(CO3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -298.3333814
  • Final energy per atom: -8.287038372222222
  • 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.