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{
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"updated_at": "2022-09-04T14:37:36.783115Z",
"structure_string": "Pd2 Se2 O8\n1.0\n4.905445 0.068271 0.308465\n2.061003 4.452001 0.308465\n-0.031620 -0.020517 8.212234\nPd Se O\n2 2 8\ndirect\n-0.000000 0.500000 0.499999 Pd\n0.500001 -0.000000 -0.000000 Pd\n0.066082 0.933917 0.749999 Se\n0.933919 0.066082 0.249999 Se\n0.943586 0.718191 0.279494 O\n0.225111 0.722790 0.583653 O\n0.774889 0.277209 0.416346 O\n0.718192 0.943584 0.779494 O\n0.281809 0.056415 0.220504 O\n0.277210 0.774888 0.916346 O\n0.722791 0.225111 0.083653 O\n0.056415 0.281808 0.720504 O\n",
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{
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"structure_string": "Pd1 Se1 O4\n1.0\n4.680006 0.000000 -0.152522\n0.000000 3.127583 0.000000\n-1.999063 0.000000 5.113195\nPd Se O\n1 1 4\ndirect\n0.500001 0.500000 0.000000 Pd\n0.500001 0.000000 0.500000 Se\n0.727826 0.000000 0.235590 O\n0.730186 0.500000 0.751006 O\n0.272177 0.000000 0.764410 O\n0.269817 0.500000 0.248994 O\n",
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{
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"created_at": "2022-09-04T14:35:57.538272Z",
"updated_at": "2022-09-04T14:35:57.538288Z",
"structure_string": "Pd2 Se2 O6\n1.0\n3.930994 0.080999 0.000043\n-0.563576 5.957511 0.000292\n0.000049 0.000330 6.527084\nPd Se O\n2 2 6\ndirect\n-0.000000 -0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.454412 0.661074 0.750010 Se\n0.545586 0.338926 0.249989 Se\n0.282026 0.294878 0.041299 O\n0.286583 0.942548 0.750004 O\n0.717972 0.705122 0.958699 O\n0.717937 0.705138 0.541292 O\n0.713415 0.057452 0.249995 O\n0.282062 0.294862 0.458706 O\n",
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"density": 5.060660754836872,
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"volume": 153.15534360701483,
"volume_molar": 9.223230373476094,
"formula_full": "Pd2 Se2 O6",
"formula_reduced": "PdSeO3",
"formula_anonymous": "ABC3",
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"spacegroup": 11
},
{
"id": "jvasp-12016",
"created_at": "2022-09-04T14:36:04.621390Z",
"updated_at": "2022-09-04T14:36:04.621415Z",
"structure_string": "Pd2 Se2 O6\n1.0\n4.716685 0.111629 -1.686936\n-0.639674 4.674390 -1.686782\n-0.145417 -0.170441 6.968985\nPd Se O\n2 2 6\ndirect\n0.499999 -0.000000 -0.000001 Pd\n0.000000 0.500000 -0.000000 Pd\n0.323082 0.323095 0.633447 Se\n0.676918 0.676905 0.366551 Se\n0.964713 0.571444 0.293294 O\n0.571435 0.964705 0.293290 O\n0.393813 0.393803 0.139917 O\n0.035285 0.428557 0.706705 O\n0.606187 0.606198 0.860082 O\n0.428563 0.035295 0.706710 O\n",
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"volume": 151.4879552602008,
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"formula_full": "Pd2 Se2 O6",
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"spacegroup": 12
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{
"id": "jvasp-114370",
"created_at": "2022-09-04T14:38:41.613451Z",
"updated_at": "2022-09-04T14:38:41.613475Z",
"structure_string": "Pd1 Se1 O1\n1.0\n6.350127 -0.000000 0.000000\n-0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nPd Se O\n1 1 1\ndirect\n0.339551 -0.033499 0.000000 Pd\n-0.036336 0.325438 0.000000 Se\n-0.075889 -0.081514 0.000000 O\n",
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"formula_full": "Pd1 Se1 O1",
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{
"id": "jvasp-13928",
"created_at": "2022-09-04T14:37:50.595257Z",
"updated_at": "2022-09-04T14:37:50.595284Z",
"structure_string": "Pd2 Se4 Cl12\n1.0\n6.995268 -0.005695 -1.119019\n-0.600031 7.381872 -3.788509\n-0.027647 0.066875 9.268208\nPd Se Cl\n2 4 12\ndirect\n0.250000 0.174135 0.000000 Pd\n0.750000 0.825865 -0.000000 Pd\n0.447492 0.070036 0.787885 Se\n0.052508 0.282151 0.212115 Se\n0.552508 0.929964 0.212115 Se\n0.947492 0.717849 0.787885 Se\n0.245500 0.370956 0.448637 Cl\n0.254500 0.922319 0.551363 Cl\n0.053897 0.911601 0.164575 Cl\n0.985276 0.451056 0.784967 Cl\n0.553898 0.252974 0.164575 Cl\n0.745500 0.077681 0.448637 Cl\n0.754500 0.629044 0.551363 Cl\n0.485276 0.333911 0.784967 Cl\n0.014724 0.548944 0.215033 Cl\n0.514724 0.666089 0.215033 Cl\n0.946102 0.088399 0.835425 Cl\n0.446102 0.747026 0.835425 Cl\n",
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"density": 3.299692339629492,
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"volume": 480.1498833815594,
"volume_molar": 16.064056575674087,
"formula_full": "Pd2 Se4 Cl12",
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"formula_anonymous": "AB2C6",
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"spacegroup": 15
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{
"id": "jvasp-114799",
"created_at": "2022-09-04T14:38:43.274777Z",
"updated_at": "2022-09-04T14:38:43.274802Z",
"structure_string": "Pd1 Se1 Cl2\n1.0\n3.908511 0.000000 -0.000000\n0.000000 3.908511 0.000000\n-0.000000 0.000000 5.441690\nPd Se Cl\n1 1 2\ndirect\n0.500000 0.500000 0.502597 Pd\n0.000000 0.000000 0.002446 Se\n0.000000 0.000000 0.502422 Cl\n0.500000 0.500000 0.002533 Cl\n",
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"formula_full": "Pd1 Se1 Cl2",
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"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-114800",
"created_at": "2022-09-04T14:38:43.851033Z",
"updated_at": "2022-09-04T14:38:43.851061Z",
"structure_string": "Pd1 Se1 Cl1\n1.0\n0.000000 3.209912 3.209912\n3.209912 -0.000000 3.209912\n3.209912 3.209912 -0.000000\nPd Se Cl\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Pd\n0.250000 0.250000 0.250000 Se\n0.500000 0.500000 0.500000 Cl\n",
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"formula_full": "Pd1 Se1 Cl1",
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"spacegroup": 216
},
{
"id": "jvasp-4080",
"created_at": "2022-09-04T14:36:46.004371Z",
"updated_at": "2022-09-04T14:36:46.004398Z",
"structure_string": "Pd1 Se2 Br6\n1.0\n4.655152 -0.134872 -0.123127\n-0.413425 7.000646 0.003691\n-1.029467 -2.515726 8.539883\nPd Se Br\n1 2 6\ndirect\n0.000000 0.500000 0.500000 Pd\n0.661365 0.260889 0.288119 Se\n0.338635 0.739111 0.711880 Se\n0.325002 0.638954 0.347786 Br\n0.674998 0.361046 0.652213 Br\n0.737853 0.306874 0.043785 Br\n0.077726 0.020439 0.714976 Br\n0.922273 -0.020439 0.285023 Br\n0.262146 0.693126 0.956214 Br\n",
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"formula_full": "Pd1 Se2 Br6",
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{
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"created_at": "2022-09-04T14:38:44.811573Z",
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"structure_string": "Pd1 Se1 Br2\n1.0\n4.075084 0.000000 0.000000\n0.000000 4.075084 0.000000\n0.000000 0.000000 5.605765\nPd Se Br\n1 1 2\ndirect\n0.499999 0.499999 0.502546 Pd\n0.000000 0.000000 0.002460 Se\n0.000000 0.000000 0.502436 Br\n0.499999 0.499999 0.002556 Br\n",
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{
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"created_at": "2022-09-04T14:38:46.814866Z",
"updated_at": "2022-09-04T14:38:46.814882Z",
"structure_string": "Pd1 Se1 Br1\n1.0\n4.915887 -0.000000 -0.000000\n-2.457943 4.257283 0.000000\n0.000000 -0.000000 3.127681\nPd Se Br\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Pd\n0.666667 0.333333 0.000000 Se\n0.000000 0.000000 0.000000 Br\n",
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{
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"created_at": "2022-09-04T14:38:46.761884Z",
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"structure_string": "Pd1 Se1 Br1\n1.0\n2.903296 0.000000 -0.000000\n-0.000000 2.903296 0.000000\n-0.000000 -0.000000 8.492168\nPd Se Br\n1 1 1\ndirect\n0.000000 0.000000 0.675966 Pd\n0.000000 0.000000 -0.045660 Se\n0.000000 0.000000 0.379950 Br\n",
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}