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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215830

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-1215830
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Y', 'V', 'Fe', 'H']
  • Chemical System: Fe-H-V-Y
  • Density: 7.4306822666208205
  • Atomic Density: 0.08296104924365034
  • Unit Cell Volume: 168.75389267176521
  • Molar Volume: 7.258997824766448
  • Full Formula: Y1 V1 Fe11 H1
  • Reduced Formula: YVFe11H
  • Formula Anonymous: ABCD11
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -113.43242042
  • Final energy per atom: -8.102315744285715
  • 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.