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{
"id": "mp-1213988",
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{
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"formula_full": "Mg14 Fe1 Co1 O16",
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"spacegroup": 47
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{
"id": "mp-867873",
"created_at": "2022-09-04T14:39:21.059510Z",
"structure_string": "Li1 Tm2 Al1\n1.0\n0.000000 3.593010 3.593010\n3.593010 0.000000 3.593010\n3.593010 3.593010 0.000000\nLi Tm Al\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Tm\n0.750000 0.750000 0.750000 Tm\n0.500000 0.500000 0.500000 Al\n",
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{
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"structure_string": "H4 O4 F4\n1.0\n4.360338 0.000000 0.000000\n0.000000 5.154395 0.000000\n0.000000 0.000000 5.781672\nH O F\n4 4 4\ndirect\n0.394186 0.529778 0.275494 H\n0.105814 0.470222 0.775494 H\n0.894186 0.970222 0.724506 H\n0.605814 0.029778 0.224506 H\n0.636322 0.869953 0.318045 O\n0.863678 0.130047 0.818045 O\n0.136322 0.630047 0.681955 O\n0.363678 0.369953 0.181955 O\n0.887033 0.752269 0.187436 F\n0.612967 0.247731 0.687436 F\n0.387033 0.747731 0.812564 F\n0.112967 0.252269 0.312564 F\n",
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"formula_full": "H4 O4 F4",
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{
"id": "mp-12537",
"created_at": "2022-09-04T14:39:21.093126Z",
"structure_string": "Ti4 Ga2 C2\n1.0\n1.539970 -2.667307 0.000000\n1.539970 2.667307 0.000000\n0.000000 0.000000 13.453339\nTi Ga C\n4 2 2\ndirect\n0.333333 0.666667 0.084960 Ti\n0.666667 0.333333 0.584960 Ti\n0.666667 0.333333 0.915040 Ti\n0.333333 0.666667 0.415040 Ti\n0.333333 0.666667 0.750000 Ga\n0.666667 0.333333 0.250000 Ga\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
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"formula_full": "Ti4 Ga2 C2",
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{
"id": "mp-1096505",
"created_at": "2022-09-04T14:39:21.094004Z",
"structure_string": "Sc2 Tl1 Hg1\n1.0\n-5.851730 6.223054 9.006136\n5.851730 -6.223054 9.006136\n5.851730 6.223054 -9.006136\nSc Tl Hg\n2 1 1\ndirect\n0.000000 0.250324 0.250324 Sc\n0.000000 0.749676 0.749676 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
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{
"id": "mp-570832",
"created_at": "2022-09-04T14:39:21.099294Z",
"structure_string": "Sr1 Pt5\n1.0\n2.750715 -4.764379 0.000000\n2.750715 4.764379 0.000000\n0.000000 0.000000 4.397114\nSr Pt\n1 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Pt\n0.666667 0.333333 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n0.333333 0.666667 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
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"density": 15.316131466032745,
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"formula_full": "Sr1 Pt5",
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{
"id": "mp-1036268",
"created_at": "2022-09-04T14:39:21.114476Z",
"structure_string": "Mg14 Mn1 Ni1 O16\n1.0\n4.273205 0.000000 0.000000\n0.000000 8.540617 0.000000\n0.000000 0.000000 8.541889\nMg Mn Ni O\n14 1 1 16\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.746635 0.000000 Mg\n0.500000 0.253365 0.000000 Mg\n0.500000 0.749390 0.500000 Mg\n0.500000 0.250610 0.500000 Mg\n0.500000 0.000000 0.747871 Mg\n0.500000 0.500000 0.751371 Mg\n0.500000 0.000000 0.252129 Mg\n0.500000 0.500000 0.248629 Mg\n0.000000 0.748255 0.749569 Mg\n0.000000 0.251745 0.749569 Mg\n0.000000 0.748255 0.250431 Mg\n0.000000 0.251745 0.250431 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Ni\n0.000000 0.000000 0.742652 O\n0.000000 0.500000 0.748447 O\n0.000000 0.000000 0.257348 O\n0.000000 0.500000 0.251553 O\n0.500000 0.750205 0.750804 O\n0.500000 0.249795 0.750804 O\n0.500000 0.750205 0.249196 O\n0.500000 0.249795 0.249196 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.743093 0.000000 O\n0.000000 0.256907 0.000000 O\n0.000000 0.748819 0.500000 O\n0.000000 0.251181 0.500000 O\n",
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{
"id": "mp-1214348",
"created_at": "2022-09-04T14:39:21.119116Z",
"structure_string": "Ba2 La2 Ag2 Te6\n1.0\n2.315773 -7.620681 0.000000\n2.315773 7.620681 0.000000\n0.000000 0.000000 11.888453\nBa La Ag Te\n2 2 2 6\ndirect\n0.249995 0.750005 0.250000 Ba\n0.750005 0.249995 0.750000 Ba\n0.000000 0.000000 0.000000 La\n0.000000 0.000000 0.500000 La\n0.533001 0.466999 0.250000 Ag\n0.466999 0.533001 0.750000 Ag\n0.642600 0.357400 0.059682 Te\n0.357400 0.642600 0.940318 Te\n0.357400 0.642600 0.559682 Te\n0.642600 0.357400 0.440318 Te\n0.921547 0.078453 0.250000 Te\n0.078453 0.921547 0.750000 Te\n",
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{
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{
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{
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"structure_string": "Y4 Ga4 Ir4\n1.0\n4.412080 0.000000 0.000000\n0.000000 6.839665 0.000000\n0.000000 0.000000 7.712600\nY Ga Ir\n4 4 4\ndirect\n0.250000 0.983411 0.307206 Y\n0.250000 0.483411 0.192794 Y\n0.750000 0.016589 0.692794 Y\n0.750000 0.516589 0.807206 Y\n0.250000 0.334773 0.574848 Ga\n0.250000 0.834773 0.925152 Ga\n0.750000 0.665227 0.425152 Ga\n0.750000 0.165227 0.074848 Ga\n0.250000 0.225056 0.898467 Ir\n0.250000 0.725056 0.601533 Ir\n0.750000 0.774944 0.101533 Ir\n0.750000 0.274944 0.398467 Ir\n",
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"total_magnetization": 7.63e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.638000Z",
"spacegroup": 62
}
]
}