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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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{
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{
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{
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"structure_string": "Cr18 N36\n1.0\n-4.052629 7.695340 10.270361\n4.052629 -7.695340 10.270361\n4.052629 7.695340 -10.270361\nCr N\n18 36\ndirect\n0.122103 0.117278 0.591730 Cr\n0.525548 0.530373 0.408270 Cr\n0.474452 0.882722 0.004825 Cr\n0.877897 0.469627 0.995175 Cr\n0.877897 0.882722 0.408270 Cr\n0.474452 0.469627 0.591730 Cr\n0.525548 0.117278 0.995175 Cr\n0.122103 0.530373 0.004825 Cr\n0.270566 0.979346 0.708780 Cr\n0.270566 0.561786 0.291220 Cr\n0.729434 0.020654 0.291220 Cr\n0.729434 0.438214 0.708780 Cr\n0.880416 0.083134 0.797282 Cr\n0.285852 0.083134 0.202718 Cr\n0.714148 0.916866 0.797282 Cr\n0.119584 0.916866 0.202718 Cr\n0.151086 0.151086 0.000000 Cr\n0.848914 0.848914 0.000000 Cr\n0.251863 0.751863 0.500000 N\n0.748137 0.248137 0.500000 N\n0.781701 0.000000 0.781701 N\n0.218299 0.000000 0.218299 N\n0.009053 0.103422 0.905631 N\n0.197791 0.103422 0.094369 N\n0.802209 0.896578 0.905631 N\n0.990947 0.896578 0.094369 N\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 0.500000 N\n0.500000 0.000000 0.000000 N\n0.000000 0.500000 0.000000 N\n0.200344 0.029951 0.829607 N\n0.200344 0.370737 0.170393 N\n0.799656 0.970049 0.170393 N\n0.799656 0.629263 0.829607 N\n0.874835 0.658723 0.216112 N\n0.442612 0.658723 0.783888 N\n0.557388 0.341277 0.216112 N\n0.125165 0.341277 0.783888 N\n0.862133 0.944339 0.574483 N\n0.369856 0.287649 0.425517 N\n0.630144 0.055661 0.917794 N\n0.137867 0.712351 0.082206 N\n0.137867 0.055661 0.425517 N\n0.630144 0.712351 0.574483 N\n0.369856 0.944339 0.082206 N\n0.862133 0.287649 0.917794 N\n0.223814 0.069644 0.662911 N\n0.406734 0.560904 0.337089 N\n0.593266 0.930356 0.154170 N\n0.776186 0.439096 0.845830 N\n0.776186 0.930356 0.337089 N\n0.593266 0.439096 0.662911 N\n0.406734 0.069644 0.845830 N\n0.223814 0.560904 0.154170 N\n",
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{
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"structure_string": "Ba4 Sr4 Eu4 W4 O24\n1.0\n8.551042 0.000000 0.000000\n0.000000 8.584878 0.000000\n0.000000 0.000000 8.555641\nBa Sr Eu W O\n4 4 4 4 24\ndirect\n-0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 -0.000000 0.500000 Ba\n0.500000 0.500000 -0.000000 Ba\n-0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 -0.000000 Sr\n-0.000000 0.500000 -0.000000 Sr\n-0.000000 -0.000000 0.500000 Sr\n0.752888 0.750136 0.751293 Eu\n0.247112 0.249864 0.751293 Eu\n0.247112 0.750136 0.248707 Eu\n0.752888 0.249864 0.248707 Eu\n0.245501 0.249518 0.251050 W\n0.754499 0.750482 0.251050 W\n0.754499 0.249518 0.748950 W\n0.245501 0.750482 0.748950 W\n0.022900 0.204948 0.284611 O\n0.977100 0.795052 0.284611 O\n0.977100 0.204948 0.715389 O\n0.022900 0.795052 0.715389 O\n0.282059 0.026411 0.208060 O\n0.282059 0.973589 0.791940 O\n0.717941 0.973589 0.208060 O\n0.717941 0.026411 0.791940 O\n0.207534 0.287174 0.026381 O\n0.792466 0.287174 0.973619 O\n0.207534 0.712826 0.973619 O\n0.792466 0.712826 0.026381 O\n0.474062 0.278207 0.228350 O\n0.525938 0.721793 0.228350 O\n0.525938 0.278207 0.771650 O\n0.474062 0.721793 0.771650 O\n0.213489 0.475218 0.285607 O\n0.213489 0.524782 0.714393 O\n0.786511 0.524782 0.285607 O\n0.786511 0.475218 0.714393 O\n0.274538 0.225193 0.477435 O\n0.725462 0.225193 0.522565 O\n0.274538 0.774807 0.522565 O\n0.725462 0.774807 0.477435 O\n",
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"formula_reduced": "BaSrEuWO6",
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"updated_at": "2021-11-28T01:36:51.293000Z",
"spacegroup": 16
},
{
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"created_at": "2022-09-04T14:45:12.501666Z",
"structure_string": "K4 Mn2 I8\n1.0\n7.662975 0.000000 -2.540688\n0.000000 8.361490 0.000000\n0.065232 0.000000 9.869013\nK Mn I\n4 2 8\ndirect\n0.219228 0.250000 0.551657 K\n0.780772 0.750000 0.448343 K\n0.265679 0.250000 0.067842 K\n0.734321 0.750000 0.932158 K\n0.774437 0.250000 0.699609 Mn\n0.225563 0.750000 0.300391 Mn\n0.595269 0.250000 0.421542 I\n0.404731 0.750000 0.578458 I\n0.005024 0.001931 0.239709 I\n0.994976 0.998069 0.760291 I\n0.994976 0.501931 0.760291 I\n0.005024 0.498069 0.239709 I\n0.575687 0.250000 0.873596 I\n0.424313 0.750000 0.126404 I\n",
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"elements": [
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],
"chemical_system": "I-K-Mn",
"density": 3.3578701763516685,
"density_atomic": 0.022091363282491536,
"volume": 633.7318263692522,
"volume_molar": 27.26015901776798,
"formula_full": "K4 Mn2 I8",
"formula_reduced": "K2MnI4",
"formula_anonymous": "AB2C4",
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"energy_uncorrected": -49.76656524,
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"updated_at": "2021-11-28T01:36:53.785000Z",
"spacegroup": 11
},
{
"id": "mp-1187889",
"created_at": "2022-09-04T14:45:12.790785Z",
"structure_string": "Yb1 Ce2 In1\n1.0\n0.000000 3.864666 3.864666\n3.864666 0.000000 3.864666\n3.864666 3.864666 0.000000\nYb Ce In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750000 0.750000 0.750000 Ce\n0.250000 0.250000 0.250000 Ce\n0.500000 0.500000 0.500000 In\n",
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"elements": [
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],
"chemical_system": "Ce-In-Yb",
"density": 8.17147294495288,
"density_atomic": 0.034649270578988416,
"volume": 115.44254563400914,
"volume_molar": 17.38028148751816,
"formula_full": "Yb1 Ce2 In1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:51.646000Z",
"spacegroup": 225
}
]
}