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  1. Third-Parties
  2. MatprojStructure
  3. mp-561360

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-561360
  • 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: 122
  • Number of elements: 4
  • Element list: ['Ca', 'W', 'N', 'O']
  • Chemical System: Ca-N-O-W
  • Density: 4.384366768161133
  • Atomic Density: 0.06337910251608626
  • Unit Cell Volume: 1924.9247016244062
  • Molar Volume: 9.501776643920635
  • Full Formula: Ca51 W12 N56 O3
  • Reduced Formula: Ca51W12N56O3
  • Formula Anonymous: A3B12C51D56
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -874.3551243100001
  • Final energy per atom: -7.1668452812295085
  • 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.