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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196789

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-1196789
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 186
  • Number of elements: 3
  • Element list: ['Pr', 'Mo', 'O']
  • Chemical System: Mo-O-Pr
  • Density: 6.682095175646507
  • Atomic Density: 0.07245309538278498
  • Unit Cell Volume: 2567.178103534746
  • Molar Volume: 8.311778438428007
  • Full Formula: Pr32 Mo42 O112
  • Reduced Formula: Pr16(Mo3O8)7
  • Formula Anonymous: A16B21C56
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1631.79083585
  • Final energy per atom: -8.773069009946235
  • 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.