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{
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{
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{
"id": "mp-1070137",
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"updated_at": "2021-11-28T01:34:42.833000Z",
"spacegroup": 107
},
{
"id": "mp-1102609",
"created_at": "2022-09-04T14:40:35.540981Z",
"structure_string": "Ba4 Si4 Pd4\n1.0\n6.749813 0.000000 0.000000\n0.000000 6.749813 0.000000\n0.000000 0.000000 6.749813\nBa Si Pd\n4 4 4\ndirect\n0.367604 0.867604 0.632396 Ba\n0.867604 0.632396 0.367604 Ba\n0.632396 0.367604 0.867604 Ba\n0.132396 0.132396 0.132396 Ba\n0.656220 0.156220 0.343780 Si\n0.156220 0.343780 0.656220 Si\n0.343780 0.656220 0.156220 Si\n0.843780 0.843780 0.843780 Si\n0.094533 0.594533 0.905467 Pd\n0.594533 0.905467 0.094533 Pd\n0.905467 0.094533 0.594533 Pd\n0.405467 0.405467 0.405467 Pd\n",
"nsites": 12,
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],
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"density": 5.871313155744092,
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"volume": 307.52131514561563,
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"formula_full": "Ba4 Si4 Pd4",
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"spacegroup": 198
},
{
"id": "mp-1195367",
"created_at": "2022-09-04T14:47:15.571163Z",
"structure_string": "Ba16 U4 Pd2 Se32\n1.0\n9.621010 0.000000 0.000000\n0.000000 12.419824 0.000000\n0.000000 0.000000 14.070887\nBa U Pd Se\n16 4 2 32\ndirect\n0.891385 0.338416 0.744772 Ba\n0.108615 0.661584 0.744772 Ba\n0.391385 0.161584 0.755228 Ba\n0.608615 0.838416 0.755228 Ba\n0.108615 0.661584 0.255228 Ba\n0.891385 0.338416 0.255228 Ba\n0.608615 0.838416 0.244772 Ba\n0.391385 0.161584 0.244772 Ba\n0.791415 0.086328 0.500000 Ba\n0.208585 0.913672 0.500000 Ba\n0.291415 0.413672 0.000000 Ba\n0.708585 0.586328 0.000000 Ba\n0.236459 0.342433 0.500000 Ba\n0.763540 0.657567 0.500000 Ba\n0.736460 0.157567 0.000000 Ba\n0.263541 0.842433 0.000000 Ba\n0.500000 0.500000 0.744095 U\n0.000000 0.000000 0.755905 U\n0.500000 0.500000 0.255905 U\n0.000000 0.000000 0.244095 U\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.541747 0.907878 0.500000 Se\n0.458253 0.092122 0.500000 Se\n0.041747 0.592122 0.000000 Se\n0.958253 0.407878 0.000000 Se\n0.915394 0.426610 0.500000 Se\n0.084606 0.573390 0.500000 Se\n0.415394 0.073390 0.000000 Se\n0.584606 0.926610 0.000000 Se\n0.578081 0.350383 0.612326 Se\n0.421919 0.649617 0.612326 Se\n0.078081 0.149617 0.887674 Se\n0.921919 0.850383 0.887674 Se\n0.421919 0.649617 0.387674 Se\n0.578081 0.350383 0.387674 Se\n0.921919 0.850383 0.112326 Se\n0.078081 0.149617 0.112326 Se\n0.586429 0.351192 0.874034 Se\n0.413571 0.648808 0.874034 Se\n0.086429 0.148808 0.625966 Se\n0.913571 0.851192 0.625966 Se\n0.413571 0.648808 0.125966 Se\n0.586429 0.351192 0.125966 Se\n0.913571 0.851192 0.374034 Se\n0.086429 0.148808 0.374034 Se\n0.730672 0.091586 0.750547 Se\n0.269328 0.908414 0.750547 Se\n0.230672 0.408414 0.749453 Se\n0.769328 0.591586 0.749453 Se\n0.269328 0.908414 0.249453 Se\n0.730672 0.091586 0.249453 Se\n0.769328 0.591586 0.250547 Se\n0.230672 0.408414 0.250547 Se\n",
"nsites": 54,
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],
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"formula_full": "Ba16 U4 Pd2 Se32",
"formula_reduced": "Ba8U2PdSe16",
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"updated_at": "2021-11-28T01:38:02.117000Z",
"spacegroup": 58
},
{
"id": "mp-9768",
"created_at": "2022-09-04T14:44:10.380458Z",
"structure_string": "Ba2 Sb4 Pd2\n1.0\n2.478905 -9.398303 0.000000\n2.478905 9.398303 0.000000\n0.000000 0.000000 4.985609\nBa Sb Pd\n2 4 2\ndirect\n0.393400 0.606600 0.750000 Ba\n0.606600 0.393400 0.250000 Ba\n0.042472 0.957528 0.750000 Sb\n0.957528 0.042472 0.250000 Sb\n0.249699 0.750301 0.250000 Sb\n0.750301 0.249699 0.750000 Sb\n0.813864 0.186136 0.250000 Pd\n0.186136 0.813864 0.750000 Pd\n",
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"updated_at": "2021-11-28T01:36:31.408000Z",
"spacegroup": 63
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{
"id": "mp-1079967",
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"structure_string": "Ba2 Sb4 Pd4\n1.0\n4.806433 0.000000 0.000000\n0.000000 4.806433 0.000000\n0.000000 0.000000 10.875671\nBa Sb Pd\n2 4 4\ndirect\n0.000000 0.500000 0.244079 Ba\n0.500000 0.000000 0.755921 Ba\n0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.500000 0.875826 Sb\n0.500000 0.000000 0.124174 Sb\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.500000 0.622680 Pd\n0.500000 0.000000 0.377320 Pd\n",
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"spacegroup": 129
},
{
"id": "mp-6963",
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{
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"structure_string": "Ba2 Pd4 S8\n1.0\n6.899442 0.000000 0.000000\n0.000000 6.796006 0.000000\n0.000000 2.506960 6.891499\nBa Pd S\n2 4 8\ndirect\n0.250000 0.284023 0.505866 Ba\n0.750000 0.715977 0.494134 Ba\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n0.250000 0.516631 0.990528 Pd\n0.750000 0.483369 0.009472 Pd\n0.250000 0.794804 0.486408 S\n0.750000 0.205196 0.513592 S\n0.750000 0.974176 0.789171 S\n0.250000 0.025824 0.210829 S\n0.005282 0.367614 0.857121 S\n0.505282 0.632386 0.142879 S\n0.494718 0.367614 0.857121 S\n0.994718 0.632386 0.142879 S\n",
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{
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"structure_string": "Ba2 Pd2 S4\n1.0\n3.431398 -5.389210 0.000000\n3.431398 5.389210 0.000000\n0.000000 0.000000 5.736984\nBa Pd S\n2 2 4\ndirect\n0.651422 0.348578 0.750000 Ba\n0.348578 0.651422 0.250000 Ba\n0.000000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.141684 0.329520 0.750000 S\n0.858316 0.670480 0.250000 S\n0.670480 0.858316 0.750000 S\n0.329520 0.141684 0.250000 S\n",
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{
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{
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]
}