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  1. Third-Parties
  2. MatprojStructure
  3. mp-650816

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-650816
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['La', 'V', 'S', 'O']
  • Chemical System: La-O-S-V
  • Density: 5.341885321524925
  • Atomic Density: 0.058655831227144455
  • Unit Cell Volume: 716.0413401585799
  • Molar Volume: 10.266908905747641
  • Full Formula: La10 V6 S12 O14
  • Reduced Formula: La5V3S6O7
  • Formula Anonymous: A3B5C6D7
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -338.75928887
  • Final energy per atom: -8.065697354047618
  • 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.