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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204031

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-1204031
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['Zn', 'Se', 'O']
  • Chemical System: O-Se-Zn
  • Density: 4.015897168504787
  • Atomic Density: 0.06524163145171927
  • Unit Cell Volume: 490.4843623305304
  • Molar Volume: 9.230518345416549
  • Full Formula: Zn6 Se6 O20
  • Reduced Formula: Zn3Se3O10
  • Formula Anonymous: A3B3C10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -168.13809201
  • Final energy per atom: -5.2543153753125
  • 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.