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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-15785
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['O', 'Pr', 'Te']
  • Chemical System: O-Pr-Te
  • Density: 6.819969600377656
  • Atomic Density: 0.046521867931482476
  • Unit Cell Volume: 107.4763379528099
  • Molar Volume: 12.944752710423028
  • Full Formula: Pr2 Te1 O2
  • Reduced Formula: Pr2TeO2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm