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  1. Third-Parties
  2. MatprojStructure
  3. mp-1063581

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-1063581
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['H', 'S']
  • Chemical System: H-S
  • Density: 2.4266813400622738
  • Atomic Density: 0.1665922834061751
  • Unit Cell Volume: 24.010715972044427
  • Molar Volume: 3.614897783300794
  • Full Formula: H3 S1
  • Reduced Formula: H3S
  • Formula Anonymous: AB3
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -11.97436441
  • Final energy per atom: -2.9935911025
  • 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.