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  1. Third-Parties
  2. MatprojStructure
  3. mp-581330

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-581330
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 128
  • Number of elements: 4
  • Element list: ['Cs', 'Ca', 'Nb', 'O']
  • Chemical System: Ca-Cs-Nb-O
  • Density: 4.551197306966774
  • Atomic Density: 0.06728203562194354
  • Unit Cell Volume: 1902.4394671889763
  • Molar Volume: 8.950592389680795
  • Full Formula: Cs8 Ca16 Nb24 O80
  • Reduced Formula: CsCa2Nb3O10
  • Formula Anonymous: AB2C3D10
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1081.50153188
  • Final energy per atom: -8.4492307178125
  • 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.