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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": "Cs4 I8 Br4\n1.0\n6.972110 0.000000 0.000000\n0.000000 10.087833 0.000000\n0.000000 0.000000 11.045498\nCs I Br\n4 8 4\ndirect\n0.250000 0.049516 0.667228 Cs\n0.750000 0.950484 0.332772 Cs\n0.750000 0.549516 0.832772 Cs\n0.250000 0.450484 0.167228 Cs\n0.250000 0.552537 0.632289 I\n0.750000 0.447463 0.367711 I\n0.750000 0.052537 0.867711 I\n0.250000 0.947463 0.132289 I\n0.250000 0.731065 0.430748 I\n0.750000 0.268935 0.569252 I\n0.750000 0.231065 0.069252 I\n0.250000 0.768935 0.930748 I\n0.250000 0.126776 0.332650 Br\n0.750000 0.873224 0.667350 Br\n0.750000 0.626776 0.167350 Br\n0.250000 0.373224 0.832650 Br\n",
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],
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"spacegroup": 62
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{
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"created_at": "2022-09-04T14:45:07.746895Z",
"structure_string": "Li4 Gd4 O8\n1.0\n3.448815 0.000000 0.000000\n0.000000 5.365728 0.000000\n0.000000 0.000000 11.415560\nLi Gd O\n4 4 8\ndirect\n0.750000 0.401671 0.065595 Li\n0.250000 0.901671 0.434405 Li\n0.750000 0.098329 0.565595 Li\n0.250000 0.598329 0.934405 Li\n0.250000 0.547509 0.640462 Gd\n0.750000 0.452491 0.359538 Gd\n0.750000 0.047509 0.859538 Gd\n0.250000 0.952491 0.140462 Gd\n0.250000 0.244267 0.973864 O\n0.250000 0.255733 0.473864 O\n0.750000 0.755733 0.026136 O\n0.750000 0.744267 0.526136 O\n0.250000 0.806666 0.796073 O\n0.750000 0.193334 0.203927 O\n0.750000 0.306666 0.703927 O\n0.250000 0.693334 0.296073 O\n",
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"density": 6.168644462800063,
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"formula_full": "Li4 Gd4 O8",
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},
{
"id": "mp-571353",
"created_at": "2022-09-04T14:45:08.039789Z",
"structure_string": "Ba1 Sn5\n1.0\n2.734651 -4.736554 0.000000\n2.734651 4.736554 0.000000\n0.000000 0.000000 7.188005\nBa Sn\n1 5\ndirect\n0.000000 0.000000 0.500000 Ba\n0.666667 0.333333 0.792517 Sn\n0.000000 0.000000 0.000000 Sn\n0.666667 0.333333 0.207483 Sn\n0.333333 0.666667 0.207483 Sn\n0.333333 0.666667 0.792517 Sn\n",
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"chemical_system": "Ba-Sn",
"density": 6.5176438421013,
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"volume": 186.20990050725524,
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"formula_full": "Ba1 Sn5",
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"spacegroup": 191
},
{
"id": "mp-644097",
"created_at": "2022-09-04T14:45:11.294218Z",
"structure_string": "Ba4 Al4 H20\n1.0\n5.122376 0.000000 0.000000\n0.000000 7.056534 0.000000\n0.000000 0.000000 9.172806\nBa Al H\n4 4 20\ndirect\n0.255931 0.342824 0.186685 Ba\n0.755931 0.657176 0.813315 Ba\n0.755931 0.842824 0.313315 Ba\n0.255931 0.157176 0.686685 Ba\n0.229394 0.654538 0.540457 Al\n0.729394 0.345462 0.459543 Al\n0.729394 0.154538 0.959543 Al\n0.229394 0.845462 0.040457 Al\n0.910834 0.550863 0.505137 H\n0.410834 0.449137 0.494863 H\n0.410834 0.050863 0.994863 H\n0.910834 0.949137 0.005137 H\n0.022733 0.655536 0.081291 H\n0.522733 0.344464 0.918709 H\n0.522733 0.155536 0.418709 H\n0.022733 0.844464 0.581291 H\n0.499125 0.708373 0.077718 H\n0.999125 0.291627 0.922282 H\n0.999125 0.208373 0.422282 H\n0.499125 0.791627 0.577718 H\n0.236259 0.805695 0.857652 H\n0.736259 0.194305 0.142348 H\n0.736259 0.305695 0.642348 H\n0.236259 0.694305 0.357652 H\n0.212724 0.952580 0.205835 H\n0.712724 0.047420 0.794165 H\n0.712724 0.452580 0.294165 H\n0.212724 0.547420 0.705835 H\n",
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]
}