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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204520

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-1204520
  • 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: 296
  • Number of elements: 8
  • Element list: ['Ag', 'B', 'P', 'H', 'C', 'N', 'Cl', 'O']
  • Chemical System: Ag-B-C-Cl-H-N-O-P
  • Density: 1.2616277681840589
  • Atomic Density: 0.08905697575528816
  • Unit Cell Volume: 3323.714930690577
  • Molar Volume: 6.76212133740956
  • Full Formula: Ag4 B40 P8 H160 C60 N4 Cl8 O12
  • Reduced Formula: AgB10P2H40C15NCl2O3
  • Formula Anonymous: ABC2D2E3F10G15H40
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1582.0178482499998
  • Final energy per atom: -5.344654892736486
  • 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.