Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

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-1357359
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Mg', 'Sb', 'As', 'O']
  • Chemical System: As-Mg-O-Sb
  • Density: 4.272148463768117
  • Atomic Density: 0.06838240862377944
  • Unit Cell Volume: 467.95660819809524
  • Molar Volume: 8.806564262940936
  • Full Formula: Mg4 Sb4 As4 O20
  • Reduced Formula: MgSbAsO5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -205.38303011
  • Final energy per atom: -6.4182196909375
  • 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.