Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-647987

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-647987
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['Rb', 'Bi', 'C', 'S', 'N']
  • Chemical System: Bi-C-N-Rb-S
  • Density: 3.0562147938644353
  • Atomic Density: 0.048914244227697
  • Unit Cell Volume: 572.4303920481591
  • Molar Volume: 12.31162998648571
  • Full Formula: Rb2 Bi2 C8 S8 N8
  • Reduced Formula: RbBiC4(SN)4
  • Formula Anonymous: ABC4D4E4
  • Spacegroup Number: 18
  • Spacegroup Symbol: P2_12_12
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -188.90178722
  • Final energy per atom: -6.746492400714286
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.