Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1217494

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-1217494
  • 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: 31
  • Number of elements: 2
  • Element list: ['U', 'Se']
  • Chemical System: Se-U
  • Density: 9.057082532388856
  • Atomic Density: 0.040281752192381594
  • Unit Cell Volume: 769.5792340895977
  • Molar Volume: 14.950046689227571
  • Full Formula: U11 Se20
  • Reduced Formula: U11Se20
  • Formula Anonymous: A11B20
  • Spacegroup Number: 75
  • Spacegroup Symbol: P4
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -239.75252064
  • Final energy per atom: -7.733952278709677
  • 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.