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{
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{
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{
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"structure_string": "Eu2 In8 Cu2\n1.0\n2.299333 -8.509590 0.000000\n2.299333 8.509590 0.000000\n0.000000 0.000000 7.424515\nEu In Cu\n2 8 2\ndirect\n0.878873 0.121127 0.750000 Eu\n0.121127 0.878873 0.250000 Eu\n0.500000 0.500000 0.000000 In\n0.500000 0.500000 0.500000 In\n0.072665 0.927335 0.750000 In\n0.927335 0.072665 0.250000 In\n0.685425 0.314575 0.949847 In\n0.314575 0.685425 0.050153 In\n0.685425 0.314575 0.550153 In\n0.314575 0.685425 0.449847 In\n0.229883 0.770117 0.750000 Cu\n0.770117 0.229883 0.250000 Cu\n",
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"nelements": 3,
"elements": [
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"In",
"Cu"
],
"chemical_system": "Cu-Eu-In",
"density": 7.713189286928678,
"density_atomic": 0.041302149384951546,
"volume": 290.5417799968591,
"volume_molar": 14.580695798350314,
"formula_full": "Eu2 In8 Cu2",
"formula_reduced": "EuIn4Cu",
"formula_anonymous": "ABC4",
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"formation_energy": null,
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"energy_uncorrected": -53.94807749,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:39:38.396000Z",
"spacegroup": 63
},
{
"id": "mp-22480",
"created_at": "2022-09-04T14:48:27.416998Z",
"structure_string": "Gd2 Sc2 Si2\n1.0\n-2.106395 2.106395 7.786770\n2.106395 -2.106395 7.786770\n2.106395 2.106395 -7.786770\nGd Sc Si\n2 2 2\ndirect\n0.677875 0.677875 0.000000 Gd\n0.322125 0.322125 0.000000 Gd\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.874954 0.874954 0.000000 Si\n0.125046 0.125046 0.000000 Si\n",
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"elements": [
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],
"chemical_system": "Gd-Sc-Si",
"density": 5.534263931464773,
"density_atomic": 0.04341644717058229,
"volume": 138.19647601348237,
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"formula_full": "Gd2 Sc2 Si2",
"formula_reduced": "GdScSi",
"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:39:43.403000Z",
"spacegroup": 139
},
{
"id": "mp-1191552",
"created_at": "2022-09-04T14:48:27.423681Z",
"structure_string": "Fe8 Ag4 S12\n1.0\n6.493454 0.000000 0.000000\n0.000000 6.339857 0.000000\n0.000000 5.894297 10.895384\nFe Ag S\n8 4 12\ndirect\n0.889459 0.833638 0.001950 Fe\n0.389459 0.166362 0.498050 Fe\n0.110541 0.166362 0.998050 Fe\n0.610541 0.833638 0.501950 Fe\n0.876490 0.486683 0.828813 Fe\n0.376490 0.513317 0.671187 Fe\n0.123510 0.513317 0.171187 Fe\n0.623510 0.486683 0.328813 Fe\n0.898909 0.169760 0.669479 Ag\n0.398909 0.830240 0.830521 Ag\n0.101091 0.830240 0.330521 Ag\n0.601091 0.169760 0.169479 Ag\n0.785008 0.782474 0.852527 S\n0.285008 0.217526 0.647473 S\n0.214992 0.217526 0.147473 S\n0.714992 0.782474 0.352527 S\n0.781036 0.165360 0.988578 S\n0.281036 0.834640 0.511422 S\n0.218964 0.834640 0.011422 S\n0.718964 0.165360 0.488578 S\n0.711006 0.530662 0.670986 S\n0.211006 0.469338 0.829014 S\n0.288994 0.469338 0.329014 S\n0.788994 0.530662 0.170986 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Ag",
"S"
],
"chemical_system": "Ag-Fe-S",
"density": 4.675833925601391,
"density_atomic": 0.05350735336348629,
"volume": 448.5364812750715,
"volume_molar": 11.254790942639938,
"formula_full": "Fe8 Ag4 S12",
"formula_reduced": "Fe2AgS3",
"formula_anonymous": "AB2C3",
"energy": -140.90968155,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:39:14.555000Z",
"spacegroup": 14
}
]
}