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  1. Third-Parties
  2. MatprojStructure
  3. mp-14613

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-14613
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 2
  • Element list: ['Pr', 'Se']
  • Chemical System: Pr-Se
  • Density: 6.36632890539385
  • Atomic Density: 0.03821615610998805
  • Unit Cell Volume: 1517.6827264645099
  • Molar Volume: 15.758101737568717
  • Full Formula: Pr20 Se38
  • Reduced Formula: Pr10Se19
  • Formula Anonymous: A10B19
  • Spacegroup Number: 86
  • Spacegroup Symbol: P4_2/n
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -344.08587758
  • Final energy per atom: -5.932515130689655
  • 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.