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  1. Third-Parties
  2. MatprojStructure
  3. mp-773494

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-773494
  • 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: 64
  • Number of elements: 5
  • Element list: ['Cs', 'H', 'S', 'N', 'O']
  • Chemical System: Cs-H-N-O-S
  • Density: 2.5349224636942465
  • Atomic Density: 0.07490396503551493
  • Unit Cell Volume: 854.4273987318973
  • Molar Volume: 8.039815725568955
  • Full Formula: Cs4 H20 S8 N8 O24
  • Reduced Formula: CsH5S2(NO3)2
  • Formula Anonymous: AB2C2D5E6
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -374.9115355
  • Final energy per atom: -5.8579927421875
  • 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.