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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212562

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-1212562
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 5
  • Element list: ['Na', 'Cr', 'H', 'S', 'O']
  • Chemical System: Cr-H-Na-O-S
  • Density: 1.8130897308777412
  • Atomic Density: 0.09385472731650372
  • Unit Cell Volume: 1022.857374847639
  • Molar Volume: 6.416449050767256
  • Full Formula: Na4 Cr4 H48 S8 O32
  • Reduced Formula: NaCrH12(SO4)2
  • Formula Anonymous: ABC2D8E12
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -464.6276982300001
  • Final energy per atom: -4.8398718565625005
  • 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.