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  1. Third-Parties
  2. MatprojStructure
  3. mp-556570

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-556570
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Ag', 'Se', 'I', 'O']
  • Chemical System: Ag-I-O-Se
  • Density: 5.988887808779095
  • Atomic Density: 0.047899823174370366
  • Unit Cell Volume: 918.5837667881615
  • Molar Volume: 12.572365326021187
  • Full Formula: Ag16 Se4 I8 O16
  • Reduced Formula: Ag4Se(IO2)2
  • Formula Anonymous: AB2C4D4
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -181.02205189
  • Final energy per atom: -4.114137542954546
  • 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.