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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227629

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-1227629
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 4
  • Element list: ['Ca', 'Pr', 'Mo', 'O']
  • Chemical System: Ca-Mo-O-Pr
  • Density: 5.776324704543789
  • Atomic Density: 0.0738023918469442
  • Unit Cell Volume: 894.2799596099098
  • Molar Volume: 8.159817872148473
  • Full Formula: Ca4 Pr8 Mo12 O42
  • Reduced Formula: Ca2Pr4(Mo2O7)3
  • Formula Anonymous: A2B4C6D21
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -568.3061672599999
  • Final energy per atom: -8.610699503939394
  • 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.