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  1. Third-Parties
  2. MatprojStructure
  3. mp-40201

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-40201
  • 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: 46
  • Number of elements: 5
  • Element list: ['Na', 'Be', 'Si', 'Cl', 'O']
  • Chemical System: Be-Cl-Na-O-Si
  • Density: 2.2476685983485822
  • Atomic Density: 0.0677808641417341
  • Unit Cell Volume: 678.6576208856096
  • Molar Volume: 8.88472113221708
  • Full Formula: Na8 Be3 Si9 Cl2 O24
  • Reduced Formula: Na8Be3Si9(ClO12)2
  • Formula Anonymous: A2B3C8D9E24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -327.07940618000003
  • Final energy per atom: -7.110421873478262
  • 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.