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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220771

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-1220771
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 7
  • Element list: ['Rb', 'Nb', 'C', 'S', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-N-Nb-O-Rb-S
  • Density: 2.5285436464729205
  • Atomic Density: 0.0385669098926841
  • Unit Cell Volume: 1140.8743952376265
  • Molar Volume: 15.614786812729228
  • Full Formula: Rb4 Nb6 C6 S6 N6 Cl12 O4
  • Reduced Formula: Rb2Nb3C3S3N3(Cl3O)2
  • Formula Anonymous: A2B2C3D3E3F3G6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -273.58261287
  • Final energy per atom: -6.217786656136363
  • 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.