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  1. Third-Parties
  2. MatprojStructure
  3. mp-10347

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-10347
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Cs', 'Ca', 'Ta', 'O']
  • Chemical System: Ca-Cs-O-Ta
  • Density: 6.281333987154585
  • Atomic Density: 0.06608077728880501
  • Unit Cell Volume: 242.12790249231253
  • Molar Volume: 9.113301942076632
  • Full Formula: Cs1 Ca2 Ta3 O10
  • Reduced Formula: CsCa2Ta3O10
  • Formula Anonymous: AB2C3D10
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -143.09874447
  • Final energy per atom: -8.943671529375
  • 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.