Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-557525

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-557525
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 114
  • Number of elements: 3
  • Element list: ['Li', 'Mo', 'O']
  • Chemical System: Li-Mo-O
  • Density: 3.765864804770585
  • Atomic Density: 0.07114736766196768
  • Unit Cell Volume: 1602.3080508281334
  • Molar Volume: 8.464319844708996
  • Full Formula: Li12 Mo24 O78
  • Reduced Formula: Li2Mo4O13
  • Formula Anonymous: A2B4C13
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -902.26714897
  • Final energy per atom: -7.9146241137719295
  • 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.