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  1. Third-Parties
  2. MatprojStructure
  3. mp-683

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-683
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 2
  • Element list: ['Pr', 'C']
  • Chemical System: C-Pr
  • Density: 6.412060238921852
  • Atomic Density: 0.06074350353932565
  • Unit Cell Volume: 329.2533165633408
  • Molar Volume: 9.914049090206388
  • Full Formula: Pr8 C12
  • Reduced Formula: Pr2C3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 220
  • Spacegroup Symbol: I-43d
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -151.80165038
  • Final energy per atom: -7.590082519000001
  • 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.