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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-45685
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Ca', 'Pr', 'Fe', 'O']
  • Chemical System: Ca-Fe-O-Pr
  • Density: 5.857714212557724
  • Atomic Density: 0.09076026828290275
  • Unit Cell Volume: 220.3607413065301
  • Molar Volume: 6.635217010629352
  • Full Formula: Ca2 Pr2 Fe4 O12
  • Reduced Formula: CaPr(FeO3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2