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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201868

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-1201868
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 3
  • Element list: ['Pr', 'As', 'S']
  • Chemical System: As-Pr-S
  • Density: 4.466611023805887
  • Atomic Density: 0.04026494300756952
  • Unit Cell Volume: 1490.1300118249376
  • Molar Volume: 14.956287803183733
  • Full Formula: Pr16 As8 S36
  • Reduced Formula: Pr4As2S9
  • Formula Anonymous: A2B4C9
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -366.53591282
  • Final energy per atom: -6.1089318803333335
  • 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.