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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214012

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-1214012
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 3
  • Element list: ['Cs', 'Nb', 'Cl']
  • Chemical System: Cl-Cs-Nb
  • Density: 3.334978287476002
  • Atomic Density: 0.03615314526508085
  • Unit Cell Volume: 2434.0897411489213
  • Molar Volume: 16.65730800417133
  • Full Formula: Cs4 Nb24 Cl60
  • Reduced Formula: Cs(Nb2Cl5)3
  • Formula Anonymous: AB6C15
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -511.04539545
  • Final energy per atom: -5.807334039204545
  • 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.