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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217359

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-1217359
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Th', 'U', 'Cu', 'Si']
  • Chemical System: Cu-Si-Th-U
  • Density: 8.548832044328925
  • Atomic Density: 0.06153801402650864
  • Unit Cell Volume: 162.50118171984417
  • Molar Volume: 9.786049899832406
  • Full Formula: Th1 U1 Cu4 Si4
  • Reduced Formula: ThU(CuSi)4
  • Formula Anonymous: ABC4D4
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -60.61506284
  • Final energy per atom: -6.061506284
  • 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.