Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-698056

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-698056
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 5
  • Element list: ['Na', 'Cd', 'H', 'S', 'O']
  • Chemical System: Cd-H-Na-O-S
  • Density: 2.997836542405753
  • Atomic Density: 0.08873826510286438
  • Unit Cell Volume: 428.2256358736655
  • Molar Volume: 6.786408042820314
  • Full Formula: Na4 Cd2 H8 S4 O20
  • Reduced Formula: Na2CdH4(SO5)2
  • Formula Anonymous: AB2C2D4E10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -218.12613759
  • Final energy per atom: -5.740161515526316
  • 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.