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  1. Third-Parties
  2. MatprojStructure
  3. mp-15202

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-15202
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 82
  • Number of elements: 5
  • Element list: ['Li', 'Ca', 'Mo', 'N', 'O']
  • Chemical System: Ca-Li-Mo-N-O
  • Density: 3.4581857050178564
  • Atomic Density: 0.07245575194772422
  • Unit Cell Volume: 1131.7251949736415
  • Molar Volume: 8.311473689963066
  • Full Formula: Li12 Ca24 Mo8 N32 O6
  • Reduced Formula: Li6Ca12Mo4N16O3
  • Formula Anonymous: A3B4C6D12E16
  • Spacegroup Number: 220
  • Spacegroup Symbol: I-43d
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -556.18713056
  • Final energy per atom: -6.782769884878049
  • 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.