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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216670

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-1216670
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ti', 'V', 'As']
  • Chemical System: As-Ti-V
  • Density: 6.143855462463206
  • Atomic Density: 0.05951966130428135
  • Unit Cell Volume: 67.20468350031207
  • Molar Volume: 10.117901594253222
  • Full Formula: Ti1 V1 As2
  • Reduced Formula: TiVAs2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -28.90069544
  • Final energy per atom: -7.22517386
  • 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.