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  1. Third-Parties
  2. MatprojStructure
  3. mp-1234321

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-1234321
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 19
  • Number of elements: 5
  • Element list: ['Rb', 'Ca', 'Nb', 'Te', 'O']
  • Chemical System: Ca-Nb-O-Rb-Te
  • Density: 4.593147632806319
  • Atomic Density: 0.0622676682043341
  • Unit Cell Volume: 305.134278316809
  • Molar Volume: 9.671376709078102
  • Full Formula: Rb2 Ca1 Nb2 Te2 O12
  • Reduced Formula: Rb2CaNb2(TeO6)2
  • Formula Anonymous: AB2C2D2E12
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -133.3581912
  • Final energy per atom: -7.018852168421052
  • 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.