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  1. Third-Parties
  2. MatprojStructure
  3. mp-720294

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-720294
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 116
  • Number of elements: 4
  • Element list: ['As', 'H', 'N', 'O']
  • Chemical System: As-H-N-O
  • Density: 1.6452072882545439
  • Atomic Density: 0.11628700740732449
  • Unit Cell Volume: 997.5319047783286
  • Molar Volume: 5.178687537212079
  • Full Formula: As4 H72 N12 O28
  • Reduced Formula: AsH18N3O7
  • Formula Anonymous: AB3C7D18
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -620.44464467
  • Final energy per atom: -5.348660729913793
  • 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.