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-40122
  • 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: 24
  • Number of elements: 5
  • Element list: ['Ba', 'Na', 'Sc', 'Si', 'O']
  • Chemical System: Ba-Na-O-Sc-Si
  • Density: 3.79937411208992
  • Atomic Density: 0.07352312818897822
  • Unit Cell Volume: 326.4278954278474
  • Molar Volume: 8.19081139273774
  • Full Formula: Ba2 Na2 Sc2 Si4 O14
  • Reduced Formula: BaNaScSi2O7
  • Formula Anonymous: ABCD2E7
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m