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  1. Third-Parties
  2. MatprojStructure
  3. mp-20154

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-20154
  • 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: 16
  • Number of elements: 3
  • Element list: ['Ca', 'Tb', 'F']
  • Chemical System: Ca-F-Tb
  • Density: 4.359095622558631
  • Atomic Density: 0.06709676681811652
  • Unit Cell Volume: 238.46156467378253
  • Molar Volume: 8.975306926971012
  • Full Formula: Ca2 Tb2 F12
  • Reduced Formula: CaTbF6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 84
  • Spacegroup Symbol: P4_2/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -96.50021081
  • Final energy per atom: -6.031263175625
  • 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.