Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1217578

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-1217578
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 35
  • Number of elements: 3
  • Element list: ['U', 'Ge', 'Te']
  • Chemical System: Ge-Te-U
  • Density: 9.351839147104746
  • Atomic Density: 0.03503447736331697
  • Unit Cell Volume: 999.0159018797561
  • Molar Volume: 17.189183950280686
  • Full Formula: U12 Ge3 Te20
  • Reduced Formula: U12Ge3Te20
  • Formula Anonymous: A3B12C20
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -246.23371729
  • Final energy per atom: -7.035249065428571
  • 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.