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  1. Third-Parties
  2. MatprojStructure
  3. mp-21575

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-21575
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Pr', 'In', 'Se']
  • Chemical System: In-Pr-Se
  • Density: 6.229989174584039
  • Atomic Density: 0.03709862208236497
  • Unit Cell Volume: 1078.2071612038178
  • Molar Volume: 16.232788233023506
  • Full Formula: Pr12 In4 Se24
  • Reduced Formula: Pr3InSe6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -225.69949766
  • Final energy per atom: -5.6424874415
  • 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.