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  1. Third-Parties
  2. MatprojStructure
  3. mp-15203

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-15203
  • 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: 82
  • Number of elements: 5
  • Element list: ['Li', 'Ca', 'W', 'N', 'O']
  • Chemical System: Ca-Li-N-O-W
  • Density: 4.446524108580336
  • Atomic Density: 0.07175472847692045
  • Unit Cell Volume: 1142.781831114794
  • Molar Volume: 8.39267444505346
  • Full Formula: Li12 Ca24 W8 N32 O6
  • Reduced Formula: Li6Ca12W4N16O3
  • Formula Anonymous: A3B4C6D12E16
  • Spacegroup Number: 220
  • Spacegroup Symbol: I-43d
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -574.5025069
  • Final energy per atom: -7.006128132926829
  • 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.