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  1. Third-Parties
  2. MatprojStructure
  3. mp-774512

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-774512
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['Li', 'U', 'W', 'O']
  • Chemical System: Li-O-U-W
  • Density: 6.707405081753499
  • Atomic Density: 0.07772008609803226
  • Unit Cell Volume: 772.0012034510485
  • Molar Volume: 7.74849985678602
  • Full Formula: Li8 U4 W8 O40
  • Reduced Formula: Li2U(WO5)2
  • Formula Anonymous: AB2C2D10
  • Spacegroup Number: 18
  • Spacegroup Symbol: P2_12_12
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -519.97030215
  • Final energy per atom: -8.6661717025
  • 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.