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  1. Third-Parties
  2. MatprojStructure
  3. mp-763059

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-763059
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Li', 'V', 'C', 'O']
  • Chemical System: C-Li-O-V
  • Density: 2.885163942703848
  • Atomic Density: 0.09766629614814326
  • Unit Cell Volume: 102.38946693372799
  • Molar Volume: 6.166037822162757
  • Full Formula: Li1 V1 C2 O6
  • Reduced Formula: LiV(CO3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -79.58996729
  • Final energy per atom: -7.958996729000001
  • 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.