Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-556389

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-556389
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 4
  • Element list: ['U', 'Tl', 'Te', 'O']
  • Chemical System: O-Te-Tl-U
  • Density: 6.763615407821204
  • Atomic Density: 0.05140908237941681
  • Unit Cell Volume: 505.7472103491559
  • Molar Volume: 11.714157268076715
  • Full Formula: U2 Tl4 Te4 O16
  • Reduced Formula: UTl2(TeO4)2
  • Formula Anonymous: AB2C2D8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -177.81937588
  • Final energy per atom: -6.839206764615384
  • 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.