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  1. Third-Parties
  2. MatprojStructure
  3. mp-571510

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-571510
  • 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: 48
  • Number of elements: 3
  • Element list: ['Pr', 'B', 'C']
  • Chemical System: B-C-Pr
  • Density: 6.247945572535024
  • Atomic Density: 0.05742866905336233
  • Unit Cell Volume: 835.8194746843031
  • Molar Volume: 10.486296930204439
  • Full Formula: Pr20 B8 C20
  • Reduced Formula: Pr5B2C5
  • Formula Anonymous: A2B5C5
  • Spacegroup Number: 130
  • Spacegroup Symbol: P4/ncc1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -344.44095294
  • Final energy per atom: -7.1758531862499995
  • 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.