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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203010

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-1203010
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 6
  • Element list: ['Li', 'H', 'C', 'S', 'N', 'O']
  • Chemical System: C-H-Li-N-O-S
  • Density: 1.3729019394207291
  • Atomic Density: 0.08181578170440625
  • Unit Cell Volume: 488.9032307301877
  • Molar Volume: 7.360610183689871
  • Full Formula: Li4 H16 C4 S4 N4 O8
  • Reduced Formula: LiH4CSNO2
  • Formula Anonymous: ABCDE2F4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -228.24769001
  • Final energy per atom: -5.70619225025
  • 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.