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  1. Third-Parties
  2. MatprojStructure
  3. mp-28464

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-28464
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 3
  • Element list: ['Re', 'Te', 'I']
  • Chemical System: I-Re-Te
  • Density: 5.866164251051278
  • Atomic Density: 0.025663147611065206
  • Unit Cell Volume: 1324.8569705977993
  • Molar Volume: 23.466103422962142
  • Full Formula: Re6 Te14 I14
  • Reduced Formula: Re3(TeI)7
  • Formula Anonymous: A3B7C7
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -156.61408785
  • Final energy per atom: -4.606296701470589
  • 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.