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  1. Third-Parties
  2. MatprojStructure
  3. mp-20934

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-20934
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Pu', 'Si', 'Tc']
  • Chemical System: Pu-Si-Tc
  • Density: 10.257261089831363
  • Atomic Density: 0.06216145848539361
  • Unit Cell Volume: 289.5684953117622
  • Molar Volume: 9.687901324604622
  • Full Formula: Pu4 Si8 Tc6
  • Reduced Formula: Pu2Si4Tc3
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -172.60454919
  • Final energy per atom: -9.589141621666666
  • 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.