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-35241
  • 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: 8
  • Number of elements: 5
  • Element list: ['Sr', 'Cu', 'C', 'N', 'O']
  • Chemical System: C-Cu-N-O-Sr
  • Density: 4.3406882761849435
  • Atomic Density: 0.06728310753907239
  • Unit Cell Volume: 118.9005724111995
  • Molar Volume: 8.9504497938102
  • Full Formula: Sr2 Cu1 C1 N2 O2
  • Reduced Formula: Sr2CuC(NO)2
  • Formula Anonymous: ABC2D2E2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm