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  1. Third-Parties
  2. MatprojStructure
  3. mp-1232087

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-1232087
  • 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: 28
  • Number of elements: 3
  • Element list: ['Pr', 'Mg', 'S']
  • Chemical System: Mg-Pr-S
  • Density: 3.686738121274728
  • Atomic Density: 0.03577841615624107
  • Unit Cell Volume: 782.5947319111768
  • Molar Volume: 16.831770120012752
  • Full Formula: Pr8 Mg4 S16
  • Reduced Formula: Pr2MgS4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -169.82203327
  • Final energy per atom: -6.065072616785714
  • 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.