Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

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

Base Information:

  • Database Entry ID: jvasp-9619
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Pd', 'Se', 'O']
  • Chemical System: O-Pd-Se
  • Density: 4.8581523107865925
  • Atomic Density: 0.06797173015780829
  • Unit Cell Volume: 235.3919778539283
  • Molar Volume: 8.859772652569744
  • Full Formula: Pd2 Se4 O10
  • Reduced Formula: PdSe2O5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m