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{
"id": "jvasp-32676",
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"structure_string": "As4 Pb8 S12 I2 Cl2\n1.0\n6.723105 0.000000 0.000000\n0.000000 9.505021 0.000000\n0.000000 0.000000 11.668810\nAs Pb S I Cl\n4 8 12 2 2\ndirect\n0.500000 0.951416 0.172848 As\n0.000000 0.451416 0.827152 As\n0.500000 0.521620 0.671820 As\n0.000000 0.021620 0.328180 As\n0.500000 0.177987 0.874240 Pb\n0.000000 0.272787 0.570737 Pb\n0.500000 0.717167 0.915363 Pb\n0.000000 0.791781 0.624607 Pb\n0.500000 0.772787 0.429263 Pb\n0.000000 0.677987 0.125760 Pb\n0.500000 0.291782 0.375393 Pb\n0.000000 0.217168 0.084637 Pb\n0.248759 0.905830 0.046284 S\n0.000000 0.784669 0.349659 S\n0.751142 0.070396 0.455991 S\n0.500000 0.284669 0.650341 S\n0.500000 0.189353 0.151361 S\n0.251241 0.405830 0.953716 S\n0.248859 0.070396 0.455991 S\n0.000000 0.689353 0.848639 S\n0.748859 0.570396 0.544009 S\n0.251141 0.570396 0.544009 S\n0.748759 0.405830 0.953716 S\n0.751242 0.905830 0.046284 S\n0.000000 0.083049 0.794799 I\n0.500000 0.583049 0.205201 I\n0.500000 0.876027 0.709066 Cl\n0.000000 0.376027 0.290934 Cl\n",
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{
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{
"id": "jvasp-63725",
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"updated_at": "2022-09-04T14:35:57.130685Z",
"structure_string": "As4 Pd4 S4\n1.0\n6.033861 0.000102 0.000101\n0.000101 6.033861 0.000102\n0.000102 0.000101 6.033861\nAs Pd S\n4 4 4\ndirect\n0.613427 0.613427 0.613427 As\n0.886583 0.386573 0.113433 As\n0.386573 0.113433 0.886583 As\n0.113433 0.886583 0.386573 As\n0.999489 0.999489 0.999489 Pd\n0.500514 0.000512 0.499488 Pd\n0.000512 0.499488 0.500514 Pd\n0.499488 0.500514 0.000512 Pd\n0.392652 0.392652 0.392652 S\n0.107336 0.607337 0.892652 S\n0.607337 0.892652 0.107336 S\n0.892652 0.107336 0.607337 S\n",
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{
"id": "jvasp-21628",
"created_at": "2022-09-04T14:38:33.170260Z",
"updated_at": "2022-09-04T14:38:33.170282Z",
"structure_string": "As4 Pd4 Se4\n1.0\n6.189231 -0.000000 -0.000000\n0.000000 6.189231 0.000000\n0.000000 0.000000 6.189231\nAs Pd Se\n4 4 4\ndirect\n0.116549 0.883450 0.383451 As\n0.883450 0.383451 0.116549 As\n0.616549 0.616549 0.616549 As\n0.383451 0.116549 0.883450 As\n0.992913 0.507087 0.492913 Pd\n0.507087 0.492913 0.992913 Pd\n0.492913 0.992913 0.507087 Pd\n0.007087 0.007087 0.007087 Pd\n0.114140 0.614140 0.885860 Se\n0.885860 0.114140 0.614140 Se\n0.614140 0.885860 0.114140 Se\n0.385860 0.385860 0.385860 Se\n",
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"formula_full": "As4 Pd4 Se4",
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{
"id": "jvasp-87026",
"created_at": "2022-09-04T14:35:48.459787Z",
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"structure_string": "As4 Pd8\n1.0\n3.297836 0.000000 -0.635328\n0.000000 6.681183 0.000000\n-0.027704 -0.000000 8.732987\nAs Pd\n4 8\ndirect\n0.204504 0.229378 0.409005 As\n0.795499 0.729377 0.590996 As\n0.558434 0.698301 0.116866 As\n0.441569 0.198301 0.883135 As\n0.673048 0.959057 0.346095 Pd\n0.326955 0.459057 0.653906 Pd\n0.414800 0.827183 0.829599 Pd\n0.585202 0.327183 0.170401 Pd\n0.171967 0.606414 0.343932 Pd\n0.828036 0.106414 0.656068 Pd\n0.962771 0.493966 0.925538 Pd\n0.037231 0.993966 0.074463 Pd\n",
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{
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"structure_string": "As4 Rh4\n1.0\n3.658076 0.000000 0.000000\n0.000000 5.727793 0.000000\n0.000000 0.000000 6.150157\nAs Rh\n4 4\ndirect\n0.250000 0.697526 0.086689 As\n0.750001 0.302474 0.913312 As\n0.250000 0.197526 0.413312 As\n0.750001 0.802474 0.586689 As\n0.250000 0.501231 0.695228 Rh\n0.750001 0.498769 0.304772 Rh\n0.250000 0.001231 0.804773 Rh\n0.750001 0.998769 0.195228 Rh\n",
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"spacegroup": 62
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{
"id": "jvasp-117230",
"created_at": "2022-09-04T14:38:49.609132Z",
"updated_at": "2022-09-04T14:38:49.609169Z",
"structure_string": "As4 Rh4 S4\n1.0\n5.856399 -0.000000 0.000000\n0.000000 5.856399 0.000000\n0.000000 -0.000000 5.856399\nAs Rh S\n4 4 4\ndirect\n0.116813 0.883187 0.383187 As\n0.883187 0.383187 0.116813 As\n0.383187 0.116813 0.883187 As\n0.616813 0.616813 0.616813 As\n0.496699 0.503301 0.003301 Rh\n0.503301 0.003301 0.496699 Rh\n0.003301 0.496699 0.503301 Rh\n0.996699 0.996699 0.996699 Rh\n0.886277 0.113723 0.613723 S\n0.113723 0.613723 0.886277 S\n0.613723 0.886277 0.113723 S\n0.386277 0.386277 0.386277 S\n",
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{
"id": "jvasp-75590",
"created_at": "2022-09-04T14:35:55.109785Z",
"updated_at": "2022-09-04T14:35:55.109801Z",
"structure_string": "As4 Ru1 Br1\n1.0\n-0.000000 4.070579 4.070579\n4.070579 0.000000 4.070579\n4.070579 4.070579 0.000000\nAs Ru Br\n4 1 1\ndirect\n0.610942 0.167175 0.610942 As\n0.167175 0.610942 0.610942 As\n0.610942 0.610942 0.610942 As\n0.610942 0.610942 0.167175 As\n0.000000 0.000000 0.000000 Ru\n0.250000 0.250000 0.250000 Br\n",
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{
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{
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{
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{
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"structure_string": "As4 S2\n1.0\n5.459524 0.016102 -1.126631\n-3.621342 4.085651 -1.126631\n-0.007216 -0.016102 5.574554\nAs S\n4 2\ndirect\n0.125000 0.875000 0.250000 As\n0.624999 0.875000 0.750000 As\n0.125000 0.375000 0.250000 As\n0.125000 0.875000 0.750000 As\n0.749999 0.250000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
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}