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  1. Third-Parties
  2. MatprojStructure
  3. mp-743862

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-743862
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 5
  • Element list: ['Ca', 'Y', 'Fe', 'Sb', 'O']
  • Chemical System: Ca-Fe-O-Sb-Y
  • Density: 4.590335756176701
  • Atomic Density: 0.07828903282943363
  • Unit Cell Volume: 1021.8544936465624
  • Molar Volume: 7.692189496222657
  • Full Formula: Ca8 Y4 Fe16 Sb4 O48
  • Reduced Formula: Ca2YFe4SbO12
  • Formula Anonymous: ABC2D4E12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -623.15224798
  • Final energy per atom: -7.7894030997499994
  • 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.