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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217294

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-1217294
  • 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: 6
  • Number of elements: 3
  • Element list: ['Th', 'Cu', 'Si']
  • Chemical System: Cu-Si-Th
  • Density: 8.37390549296534
  • Atomic Density: 0.04944984442208646
  • Unit Cell Volume: 121.3350632367235
  • Molar Volume: 12.178280498917502
  • Full Formula: Th2 Cu1 Si3
  • Reduced Formula: Th2CuSi3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -39.15410571
  • Final energy per atom: -6.5256842850000005
  • 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.