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  1. Third-Parties
  2. MatprojStructure
  3. mp-756295

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-756295
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 5
  • Element list: ['Li', 'V', 'As', 'C', 'O']
  • Chemical System: As-C-Li-O-V
  • Density: 2.701231475278002
  • Atomic Density: 0.06967748135239356
  • Unit Cell Volume: 631.4809196025642
  • Molar Volume: 8.64287951159292
  • Full Formula: Li4 V4 As4 C4 O28
  • Reduced Formula: LiVAsCO7
  • Formula Anonymous: ABCDE7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -327.1119039
  • Final energy per atom: -7.434361452272728
  • 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.