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{
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{
"id": "jvasp-116393",
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{
"id": "jvasp-116395",
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{
"id": "jvasp-37207",
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{
"id": "jvasp-88797",
"created_at": "2022-09-04T14:35:56.037196Z",
"updated_at": "2022-09-04T14:35:56.037222Z",
"structure_string": "Si4 Pb8 Se16\n1.0\n7.170023 0.000000 0.000000\n0.000000 8.102560 -2.692274\n0.000000 0.101883 13.914315\nSi Pb Se\n4 8 16\ndirect\n0.263070 0.442475 0.642706 Si\n0.763070 0.057524 0.857294 Si\n0.736930 0.557524 0.357294 Si\n0.236930 0.942475 0.142706 Si\n0.845994 0.683746 0.626502 Pb\n0.345995 0.816254 0.873499 Pb\n0.143758 0.809012 0.365133 Pb\n0.643757 0.690988 0.134867 Pb\n0.856242 0.190988 0.634867 Pb\n0.356242 0.309011 0.865133 Pb\n0.654005 0.183746 0.126501 Pb\n0.154005 0.316254 0.373499 Pb\n0.467272 0.515675 0.264323 Se\n0.529064 0.005351 0.737630 Se\n0.532728 0.484324 0.735678 Se\n0.032728 0.015675 0.764323 Se\n0.260836 0.671096 0.043114 Se\n0.760836 0.828904 0.456887 Se\n0.739164 0.328904 0.956887 Se\n0.239164 0.171096 0.543114 Se\n0.970935 0.505351 0.237630 Se\n0.470935 0.994649 0.262371 Se\n0.257794 0.126704 0.052438 Se\n0.757794 0.373296 0.447562 Se\n0.742206 0.873296 0.947562 Se\n0.242206 0.626703 0.552439 Se\n0.029065 0.494649 0.762371 Se\n0.967272 0.984324 0.235678 Se\n",
"nsites": 28,
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"elements": [
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"density_atomic": 0.034553978080231466,
"volume": 810.3263808001014,
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"formula_full": "Si4 Pb8 Se16",
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"formula_anonymous": "AB2C4",
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},
{
"id": "jvasp-14688",
"created_at": "2022-09-04T14:36:48.969045Z",
"updated_at": "2022-09-04T14:36:48.969077Z",
"structure_string": "Si4 Pd4\n1.0\n3.502011 -0.000000 0.000000\n0.000000 5.664107 0.000000\n0.000000 0.000000 6.165921\nSi Pd\n4 4\ndirect\n0.250000 0.679742 0.075027 Si\n0.750000 0.320259 0.924973 Si\n0.250000 0.179742 0.424973 Si\n0.750000 0.820259 0.575027 Si\n0.250000 0.502331 0.691953 Pd\n0.750000 0.497670 0.308047 Pd\n0.250000 0.002330 0.808047 Pd\n0.750000 0.997670 0.191953 Pd\n",
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"elements": [
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"density": 7.304697252896115,
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"volume": 122.30576008280886,
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"formula_full": "Si4 Pd4",
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{
"id": "jvasp-91657",
"created_at": "2022-09-04T14:35:51.046152Z",
"updated_at": "2022-09-04T14:35:51.046175Z",
"structure_string": "Si4 Pd4\n1.0\n-0.000000 -0.000000 4.675555\n-4.142089 4.142089 2.337777\n-4.142089 -4.142089 2.337777\nSi Pd\n4 4\ndirect\n0.387460 0.500000 0.725082 Si\n0.612542 0.500000 0.274918 Si\n0.112542 0.274918 0.500000 Si\n0.887460 0.725082 0.500000 Si\n0.178020 0.500000 0.143961 Pd\n0.821982 0.500000 0.856039 Pd\n0.321981 0.856039 0.500000 Pd\n0.678021 0.143961 0.500000 Pd\n",
"nsites": 8,
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"formula_full": "Si4 Pd4",
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"spacegroup": 140
},
{
"id": "jvasp-86228",
"created_at": "2022-09-04T14:36:14.089417Z",
"updated_at": "2022-09-04T14:36:14.089428Z",
"structure_string": "Si3 Pd6\n1.0\n7.809887 0.000000 0.000000\n-3.904943 6.763561 0.000000\n-0.000000 0.000000 2.765675\nSi Pd\n3 6\ndirect\n0.000000 0.000000 0.500001 Si\n0.666667 0.333333 0.000000 Si\n0.333333 0.666667 0.000000 Si\n0.000000 0.253878 0.000000 Pd\n0.602124 -0.000000 0.000000 Pd\n0.746123 0.746122 0.000000 Pd\n0.000000 0.602124 0.000000 Pd\n0.397876 0.397876 0.000000 Pd\n0.253878 -0.000000 0.000000 Pd\n",
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"formula_full": "Si3 Pd6",
"formula_reduced": "SiPd2",
"formula_anonymous": "AB2",
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"spacegroup": 189
},
{
"id": "jvasp-86830",
"created_at": "2022-09-04T14:36:14.275014Z",
"updated_at": "2022-09-04T14:36:14.275039Z",
"structure_string": "Si3 Pd6\n1.0\n7.809656 0.000000 -0.000000\n-3.904828 6.763361 -0.000000\n-0.000000 -0.000000 2.765870\nSi Pd\n3 6\ndirect\n0.000000 0.000000 0.500000 Si\n0.666667 0.333333 0.000000 Si\n0.333333 0.666667 0.000000 Si\n-0.000000 0.253877 0.000000 Pd\n0.602113 -0.000000 0.000000 Pd\n0.746123 0.746122 0.000000 Pd\n-0.000000 0.602113 0.000000 Pd\n0.397887 0.397887 0.000000 Pd\n0.253878 -0.000000 0.000000 Pd\n",
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"formula_full": "Si3 Pd6",
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"spacegroup": 189
},
{
"id": "jvasp-52894",
"created_at": "2022-09-04T14:36:05.179152Z",
"updated_at": "2022-09-04T14:36:05.179178Z",
"structure_string": "Si3 Pd6\n1.0\n3.271013 -5.665561 -0.000000\n3.271013 5.665561 -0.000000\n0.000000 -0.000000 3.532934\nSi Pd\n3 6\ndirect\n0.666666 0.333333 0.000000 Si\n0.333333 0.666666 0.000000 Si\n0.000000 0.000000 0.499999 Si\n0.266003 0.266003 0.000000 Pd\n-0.000000 0.733996 0.000000 Pd\n0.733996 -0.000000 0.000000 Pd\n0.606894 0.606894 0.499999 Pd\n-0.000000 0.393106 0.499999 Pd\n0.393106 -0.000000 0.499999 Pd\n",
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"formula_full": "Si3 Pd6",
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},
{
"id": "jvasp-37208",
"created_at": "2022-09-04T14:35:54.135265Z",
"updated_at": "2022-09-04T14:35:54.135294Z",
"structure_string": "Si1 Pd1 O3\n1.0\n3.592310 -0.000000 0.000000\n0.000000 3.592310 0.000000\n-0.000000 -0.000000 3.592310\nSi Pd O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Si1 Pd1 O3",
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},
{
"id": "jvasp-59261",
"created_at": "2022-09-04T14:38:12.922807Z",
"updated_at": "2022-09-04T14:38:12.922833Z",
"structure_string": "Si4 P4 N12\n1.0\n9.414767 0.008066 0.013798\n0.004187 5.300650 -0.049043\n0.004187 -2.643470 4.594710\nSi P N\n4 4 12\ndirect\n0.750876 0.326839 0.006205 Si\n0.250876 0.006205 0.326838 Si\n0.002618 0.997558 0.680756 Si\n0.502618 0.680756 0.997558 Si\n0.748752 0.989310 0.326779 P\n0.497291 0.004599 0.662377 P\n0.248752 0.326778 0.989309 P\n0.997291 0.662378 0.004600 P\n0.966685 0.750513 0.773773 N\n0.921635 0.898636 0.338960 N\n0.177869 0.094554 0.665383 N\n0.677869 0.665384 0.094554 N\n0.671898 0.085110 0.656746 N\n0.466684 0.773773 0.750512 N\n0.428320 0.922124 0.340994 N\n0.421635 0.338960 0.898635 N\n0.217762 0.250285 0.228516 N\n0.171897 0.656746 0.085109 N\n0.717762 0.228517 0.250285 N\n0.928320 0.340995 0.922124 N\n",
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"formula_full": "Si4 P4 N12",
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{
"id": "jvasp-100547",
"created_at": "2022-09-04T14:36:36.151142Z",
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"structure_string": "Si2 P2 N6\n1.0\n4.700650 0.000000 0.000000\n0.000000 4.579730 2.605149\n0.000000 -0.008586 5.285319\nSi P N\n2 2 6\ndirect\n0.503502 0.326384 0.676924 Si\n0.003502 0.673615 0.323077 Si\n0.495890 0.994021 0.335106 P\n0.995890 0.005978 0.664895 P\n0.858088 0.331967 0.572069 N\n0.842243 0.915716 0.429688 N\n0.358088 0.668032 0.427932 N\n0.342242 0.084283 0.570313 N\n0.933477 0.769539 0.981349 N\n0.433477 0.230460 0.018652 N\n",
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}