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{
"id": "mp-555315",
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{
"id": "mp-554342",
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"structure_string": "Hf6 Cd6 Ag2 F40\n1.0\n5.340493 -9.250005 0.000000\n5.340493 9.250005 0.000000\n0.000000 0.000000 8.472658\nHf Cd Ag F\n6 6 2 40\ndirect\n0.861042 0.582845 0.750000 Hf\n0.417155 0.278196 0.750000 Hf\n0.582845 0.721804 0.250000 Hf\n0.721804 0.138958 0.750000 Hf\n0.138958 0.417155 0.250000 Hf\n0.278196 0.861042 0.250000 Hf\n0.432700 0.270376 0.250000 Cd\n0.729624 0.162324 0.250000 Cd\n0.270376 0.837676 0.750000 Cd\n0.837676 0.567300 0.250000 Cd\n0.162324 0.432700 0.750000 Cd\n0.567300 0.729624 0.750000 Cd\n0.000000 0.000000 0.250000 Ag\n0.000000 0.000000 0.750000 Ag\n0.056303 0.584727 0.750000 F\n0.797134 0.764566 0.250000 F\n0.943697 0.415273 0.250000 F\n0.366022 0.551391 0.250000 F\n0.814631 0.366022 0.750000 F\n0.584727 0.528424 0.250000 F\n0.145507 0.425239 0.485301 F\n0.235434 0.032567 0.250000 F\n0.058083 0.774684 0.250000 F\n0.716601 0.941917 0.250000 F\n0.202866 0.235434 0.750000 F\n0.551391 0.185369 0.750000 F\n0.941917 0.225316 0.750000 F\n0.145507 0.425239 0.014699 F\n0.967433 0.202866 0.250000 F\n0.425239 0.279731 0.985301 F\n0.774684 0.716601 0.750000 F\n0.854493 0.574761 0.985301 F\n0.854493 0.574761 0.514699 F\n0.574761 0.720269 0.485301 F\n0.764566 0.967433 0.750000 F\n0.279731 0.854493 0.014699 F\n0.415273 0.471576 0.750000 F\n0.225316 0.283399 0.250000 F\n0.471576 0.056303 0.250000 F\n0.528424 0.943697 0.750000 F\n0.720269 0.145507 0.514699 F\n0.279731 0.854493 0.485301 F\n0.425239 0.279731 0.514699 F\n0.448609 0.814631 0.250000 F\n0.283399 0.058083 0.750000 F\n0.000000 0.000000 0.500000 F\n0.574761 0.720269 0.014699 F\n0.032567 0.797134 0.750000 F\n0.185369 0.633978 0.250000 F\n0.633978 0.448609 0.750000 F\n0.666667 0.333333 0.250000 F\n0.000000 0.000000 0.000000 F\n0.333333 0.666667 0.750000 F\n0.720269 0.145507 0.985301 F\n",
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{
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"structure_string": "Eu1 Cd1 Ag2\n1.0\n0.000000 3.640606 3.640606\n3.640606 0.000000 3.640606\n3.640606 3.640606 0.000000\nEu Cd Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n",
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{
"id": "mp-1225230",
"created_at": "2022-09-04T14:42:57.840198Z",
"structure_string": "Eu2 Cd2 Ag2\n1.0\n2.469961 5.587109 0.000000\n-2.469961 5.587109 0.000000\n0.000000 4.914190 5.850059\nEu Cd Ag\n2 2 2\ndirect\n0.548925 0.548925 0.699697 Eu\n0.451075 0.451075 0.300303 Eu\n0.829916 0.829916 0.110068 Cd\n0.170084 0.170084 0.889932 Cd\n0.158799 0.158799 0.294324 Ag\n0.841201 0.841201 0.705676 Ag\n",
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{
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{
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{
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{
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{
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{
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{
"id": "mp-865910",
"created_at": "2022-09-04T14:40:57.857145Z",
"structure_string": "Cd2 Ag6\n1.0\n2.974816 -5.152532 0.000000\n2.974816 5.152532 0.000000\n0.000000 0.000000 4.879521\nCd Ag\n2 6\ndirect\n0.333333 0.666667 0.750000 Cd\n0.666667 0.333333 0.250000 Cd\n0.165538 0.331075 0.250000 Ag\n0.668925 0.834462 0.250000 Ag\n0.165538 0.834462 0.250000 Ag\n0.834462 0.668925 0.750000 Ag\n0.331075 0.165538 0.750000 Ag\n0.834462 0.165538 0.750000 Ag\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd",
"density": 9.680396092495629,
"density_atomic": 0.05348130470717906,
"volume": 149.58498196335364,
"volume_molar": 11.26027271206721,
"formula_full": "Cd2 Ag6",
"formula_reduced": "CdAg3",
"formula_anonymous": "AB3",
"energy": -19.20501466,
"energy_per_atom": -2.4006268325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.20501466,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005761,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.408000Z",
"spacegroup": 194
}
]
}