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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220809

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-1220809
  • 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: 29
  • Number of elements: 4
  • Element list: ['Nb', 'Tl', 'Te', 'As']
  • Chemical System: As-Nb-Te-Tl
  • Density: 7.549416345962411
  • Atomic Density: 0.039854095225517375
  • Unit Cell Volume: 727.6542055691224
  • Molar Volume: 15.110469139804247
  • Full Formula: Nb12 Tl1 Te15 As1
  • Reduced Formula: Nb12TlTe15As
  • Formula Anonymous: ABC12D15
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6

Thermodynamics:

  • Final energy: -194.89517086
  • Final energy per atom: -6.720523133103448
  • 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.