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  1. Third-Parties
  2. MatprojStructure
  3. mp-684856

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-684856
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 49
  • Number of elements: 2
  • Element list: ['As', 'S']
  • Chemical System: As-S
  • Density: 2.855006431181804
  • Atomic Density: 0.03240586281153598
  • Unit Cell Volume: 1512.0720680998738
  • Molar Volume: 18.583491496656624
  • Full Formula: As24 S25
  • Reduced Formula: As24S25
  • Formula Anonymous: A24B25
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -222.71514611
  • Final energy per atom: -4.5452070634693875
  • 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.