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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214362

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-1214362
  • 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: 20
  • Number of elements: 4
  • Element list: ['Be', 'H', 'S', 'O']
  • Chemical System: Be-H-O-S
  • Density: 1.7875073862072586
  • Atomic Density: 0.09866155498723274
  • Unit Cell Volume: 202.71320477959316
  • Molar Volume: 6.103837265467074
  • Full Formula: Be2 H8 S2 O8
  • Reduced Formula: BeH4SO4
  • Formula Anonymous: ABC4D4
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -86.12082849000001
  • Final energy per atom: -4.3060414245
  • 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.