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-34195
  • 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: 9
  • Number of elements: 3
  • Element list: ['Na', 'C', 'O']
  • Chemical System: C-Na-O
  • Density: 2.125115755344428
  • Atomic Density: 0.06857267042237448
  • Unit Cell Volume: 131.24762306272095
  • Molar Volume: 8.782129561101423
  • Full Formula: Na4 C1 O4
  • Reduced Formula: Na4CO4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m