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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194712

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-1194712
  • 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: 56
  • Number of elements: 5
  • Element list: ['Pr', 'Si', 'Se', 'O', 'F']
  • Chemical System: F-O-Pr-Se-Si
  • Density: 5.288803673107737
  • Atomic Density: 0.06920792870420071
  • Unit Cell Volume: 809.1558445470565
  • Molar Volume: 8.701518558284024
  • Full Formula: Pr10 Si4 Se6 O34 F2
  • Reduced Formula: Pr5Si2Se3O17F
  • Formula Anonymous: AB2C3D5E17
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -431.58899899
  • Final energy per atom: -7.706946410535714
  • 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.