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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207548

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-1207548
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 3
  • Element list: ['Zr', 'V', 'Sb']
  • Chemical System: Sb-V-Zr
  • Density: 7.559235231389526
  • Atomic Density: 0.04469894621157187
  • Unit Cell Volume: 1297.5697396862724
  • Molar Volume: 13.472668307426364
  • Full Formula: Zr10 V12 Sb36
  • Reduced Formula: Zr5(VSb3)6
  • Formula Anonymous: A5B6C18
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -364.65626206
  • Final energy per atom: -6.287176932068966
  • 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.