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"updated_at": "2021-11-28T01:35:46.715000Z",
"spacegroup": 223
},
{
"id": "mp-31112",
"created_at": "2022-09-04T14:45:03.640556Z",
"structure_string": "Tb6 Ga2 O12\n1.0\n4.479400 -5.615273 0.000000\n4.479400 5.615273 0.000000\n0.000000 0.000000 5.473610\nTb Ga O\n6 2 12\ndirect\n0.397954 0.602046 0.077673 Tb\n0.602046 0.397954 0.577673 Tb\n0.911959 0.701192 0.030680 Tb\n0.088041 0.298808 0.530680 Tb\n0.298808 0.088041 0.030680 Tb\n0.701192 0.911959 0.530680 Tb\n0.193361 0.806639 0.499873 Ga\n0.806639 0.193361 0.999873 Ga\n0.215628 0.784372 0.836005 O\n0.784372 0.215628 0.336005 O\n0.039174 0.960826 0.360699 O\n0.960826 0.039174 0.860699 O\n0.675924 0.644297 0.302875 O\n0.324076 0.355703 0.802875 O\n0.355703 0.324076 0.302875 O\n0.644297 0.675924 0.802875 O\n0.578654 0.106104 0.822050 O\n0.421346 0.893896 0.322050 O\n0.893896 0.421346 0.822050 O\n0.106104 0.578654 0.322050 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Ga-O-Tb",
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"volume_molar": 8.291163390791407,
"formula_full": "Tb6 Ga2 O12",
"formula_reduced": "Tb3GaO6",
"formula_anonymous": "AB3C6",
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},
{
"id": "mp-1192010",
"created_at": "2022-09-04T14:45:22.505489Z",
"structure_string": "Tb6 Ga4 Ni12\n1.0\n-4.463650 4.463650 4.463650\n4.463650 -4.463650 4.463650\n4.463650 4.463650 -4.463650\nTb Ga Ni\n6 4 12\ndirect\n0.710562 0.710562 0.000000 Tb\n0.289438 0.000000 0.289438 Tb\n0.000000 0.289438 0.289438 Tb\n0.289438 0.289438 0.000000 Tb\n0.710562 0.000000 0.710562 Tb\n0.000000 0.710562 0.710562 Tb\n0.000000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.337760 0.337760 0.675520 Ni\n0.662240 0.000000 0.337760 Ni\n0.000000 0.662240 0.337760 Ni\n0.662240 0.337760 0.000000 Ni\n0.337760 0.675520 0.337760 Ni\n0.000000 0.337760 0.662240 Ni\n0.337760 0.662240 0.000000 Ni\n0.337760 0.000000 0.662240 Ni\n0.675520 0.337760 0.337760 Ni\n0.662240 0.662240 0.324480 Ni\n0.662240 0.324480 0.662240 Ni\n0.324480 0.662240 0.662240 Ni\n",
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"elements": [
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],
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"volume": 355.73810929470864,
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"formula_full": "Tb6 Ga4 Ni12",
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"updated_at": "2021-11-28T01:36:55.111000Z",
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},
{
"id": "mp-1190757",
"created_at": "2022-09-04T14:45:26.312877Z",
"structure_string": "Tb6 Ga2 Fe2 S14\n1.0\n4.834872 -8.374244 0.000000\n4.834872 8.374244 0.000000\n0.000000 0.000000 6.139888\nTb Ga Fe S\n6 2 2 14\ndirect\n0.622055 0.846818 0.320757 Tb\n0.153182 0.775237 0.320757 Tb\n0.224763 0.377945 0.320757 Tb\n0.377945 0.153182 0.820757 Tb\n0.846818 0.224763 0.820757 Tb\n0.775237 0.622055 0.820757 Tb\n0.666667 0.333333 0.394066 Ga\n0.333333 0.666667 0.894066 Ga\n0.000000 0.000000 0.502158 Fe\n0.000000 0.000000 0.002158 Fe\n0.899073 0.137048 0.236465 S\n0.862952 0.762025 0.236465 S\n0.237975 0.100927 0.236465 S\n0.100927 0.862952 0.736465 S\n0.137048 0.237975 0.736465 S\n0.762025 0.899073 0.736465 S\n0.481048 0.569842 0.052764 S\n0.430158 0.911206 0.052764 S\n0.088794 0.518952 0.052764 S\n0.518952 0.430158 0.552764 S\n0.569842 0.088794 0.552764 S\n0.911206 0.481048 0.552764 S\n0.666667 0.333333 0.025105 S\n0.333333 0.666667 0.525105 S\n",
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"elements": [
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"Fe",
"S"
],
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"density": 5.522783588755678,
"density_atomic": 0.04827143452087648,
"volume": 497.18845603439553,
"volume_molar": 12.475578610359172,
"formula_full": "Tb6 Ga2 Fe2 S14",
"formula_reduced": "Tb3GaFeS7",
"formula_anonymous": "ABC3D7",
"energy": -150.9609962,
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"updated_at": "2021-11-28T01:37:10.157000Z",
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}
]
}