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  1. Third-Parties
  2. MatprojStructure
  3. mp-561375

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-561375
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 2
  • Element list: ['Pr', 'S']
  • Chemical System: Pr-S
  • Density: 5.027317399358435
  • Atomic Density: 0.04350077666422091
  • Unit Cell Volume: 1333.3095279584882
  • Molar Volume: 13.843754575888227
  • Full Formula: Pr20 S38
  • Reduced Formula: Pr10S19
  • Formula Anonymous: A10B19
  • Spacegroup Number: 86
  • Spacegroup Symbol: P4_2/n
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -376.06660524
  • Final energy per atom: -6.483906986896551
  • 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.