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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195156

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-1195156
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 70
  • Number of elements: 6
  • Element list: ['Rb', 'Nb', 'H', 'C', 'Cl', 'O']
  • Chemical System: C-Cl-H-Nb-O-Rb
  • Density: 2.576393647047338
  • Atomic Density: 0.0630335052460837
  • Unit Cell Volume: 1110.5205037657197
  • Molar Volume: 9.553872557918965
  • Full Formula: Rb4 Nb6 H22 C10 Cl12 O16
  • Reduced Formula: Rb2Nb3H11C5(Cl3O4)2
  • Formula Anonymous: A2B3C5D6E8F11
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -421.05673196
  • Final energy per atom: -6.015096170857142
  • 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.