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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207844

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-1207844
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['Y', 'Tl', 'F']
  • Chemical System: F-Tl-Y
  • Density: 5.383997122993416
  • Atomic Density: 0.06866359402275456
  • Unit Cell Volume: 815.5704751114841
  • Molar Volume: 8.770500358609706
  • Full Formula: Y12 Tl4 F40
  • Reduced Formula: Y3TlF10
  • Formula Anonymous: AB3C10
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -393.47851218
  • Final energy per atom: -7.026402003214286
  • 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.