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{
"id": "jvasp-68642",
"created_at": "2022-09-04T14:35:50.757748Z",
"updated_at": "2022-09-04T14:35:50.757776Z",
"structure_string": "Be1 Tl2 Ga1\n1.0\n-2.063399 2.063399 5.387699\n2.063399 -2.063399 5.387699\n2.063399 2.063399 -5.387699\nBe Tl Ga\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Tl\n0.250000 0.750000 0.500000 Tl\n0.750000 0.250000 0.500000 Ga\n",
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{
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"structure_string": "Tm2 Cd6\n1.0\n4.820707 0.000000 -0.000000\n0.000000 5.931772 -2.488562\n0.000000 -0.036634 6.432535\nTm Cd\n2 6\ndirect\n0.750000 0.366635 0.633366 Tm\n0.250000 0.633365 0.366635 Tm\n0.750000 0.822610 0.177390 Cd\n0.250000 0.177390 0.822611 Cd\n0.750000 0.313454 0.122946 Cd\n0.250000 0.686546 0.877056 Cd\n0.250000 0.122946 0.313455 Cd\n0.750000 0.877055 0.686546 Cd\n",
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{
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"structure_string": "La1 Mg6 Mo1\n1.0\n6.707402 0.433664 0.000000\n-2.978136 5.158283 0.000000\n0.000000 0.000000 5.112844\nLa Mg Mo\n1 6 1\ndirect\n0.140158 0.320078 0.250000 La\n0.644772 0.323403 0.250000 Mg\n0.644771 0.821366 0.250000 Mg\n0.342093 0.157859 0.749999 Mg\n0.342092 0.684235 0.749999 Mg\n0.806222 0.153111 0.749999 Mg\n0.901544 0.700772 0.749999 Mg\n0.178344 0.839170 0.250000 Mo\n",
"nsites": 8,
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{
"id": "jvasp-15700",
"created_at": "2022-09-04T14:36:18.102159Z",
"updated_at": "2022-09-04T14:36:18.102187Z",
"structure_string": "Sr1 Al2 Si2\n1.0\n2.110772 -3.655965 0.000000\n2.110772 3.655965 -0.000000\n0.000000 -0.000000 7.430942\nSr Al Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333332 0.372639 Al\n0.333332 0.666667 0.627361 Al\n0.666667 0.333332 0.724998 Si\n0.333332 0.666667 0.275002 Si\n",
"nsites": 5,
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"elements": [
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"formula_full": "Sr1 Al2 Si2",
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"spacegroup": 164
},
{
"id": "jvasp-34997",
"created_at": "2022-09-04T14:37:29.168374Z",
"updated_at": "2022-09-04T14:37:29.168405Z",
"structure_string": "Mg4 Sn2\n1.0\n2.523109 -4.370152 0.000000\n2.523109 4.370152 -0.000000\n0.000000 -0.000000 6.240621\nMg Sn\n4 2\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.250000 Mg\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n",
"nsites": 6,
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{
"id": "jvasp-595",
"created_at": "2022-09-04T14:35:43.177289Z",
"updated_at": "2022-09-04T14:35:43.177313Z",
"structure_string": "Ta1 Se2\n1.0\n3.373372 -0.006840 5.889623\n1.561993 2.989961 5.889623\n-0.011317 -0.006840 6.787281\nTa Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.248209 0.248209 0.248210 Se\n0.751789 0.751790 0.751791 Se\n",
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{
"id": "jvasp-91602",
"created_at": "2022-09-04T14:36:17.882303Z",
"updated_at": "2022-09-04T14:36:17.882330Z",
"structure_string": "Mg6 Mn2\n1.0\n0.000000 -4.680200 0.000000\n-0.032518 0.000000 -4.722505\n8.317337 0.000000 2.369383\nMg Mn\n6 2\ndirect\n0.750000 0.433132 0.366982 Mg\n0.250000 0.566870 0.633018 Mg\n0.750000 0.060121 0.615664 Mg\n0.250000 0.939881 0.384336 Mg\n0.750000 0.244487 0.994885 Mg\n0.250000 0.755515 0.005116 Mg\n0.750000 0.847020 0.197524 Mn\n0.250000 0.152981 0.802476 Mn\n",
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{
"id": "jvasp-40195",
"created_at": "2022-09-04T14:38:06.154650Z",
"updated_at": "2022-09-04T14:38:06.154659Z",
"structure_string": "Ca4 Sn2 S8\n1.0\n3.972317 0.000000 0.000000\n0.000000 7.093421 -0.000000\n0.000000 -0.000000 11.394775\nCa Sn S\n4 2 8\ndirect\n0.500000 0.405861 0.815573 Ca\n0.500000 0.594138 0.184427 Ca\n0.500000 0.905861 0.684427 Ca\n0.500000 0.094139 0.315573 Ca\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.500000 0.261715 0.551640 S\n0.500000 0.738285 0.448360 S\n0.500000 0.761714 0.948360 S\n0.500000 0.238285 0.051640 S\n0.000000 0.126020 0.794197 S\n0.000000 0.873980 0.205803 S\n0.000000 0.626019 0.705804 S\n0.000000 0.373980 0.294197 S\n",
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"volume": 321.07418534119154,
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"formula_full": "Ca4 Sn2 S8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 55
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{
"id": "jvasp-34039",
"created_at": "2022-09-04T14:38:36.387056Z",
"updated_at": "2022-09-04T14:38:36.387084Z",
"structure_string": "Te6 Mo6 S6\n1.0\n-1.514642 3.020020 0.000015\n7.017739 5.409450 0.012090\n1.815394 2.800368 -14.043286\nTe Mo S\n6 6 6\ndirect\n0.345442 0.691021 0.618117 Te\n0.980761 0.650319 0.388135 Te\n0.739637 0.407895 0.112806 Te\n0.022140 0.339593 0.616156 Te\n0.932305 0.251527 0.883893 Te\n0.256790 0.604109 0.882336 Te\n0.534627 0.180708 0.750066 Mo\n0.809488 0.134262 0.246739 Mo\n0.188127 0.873542 0.750227 Mo\n0.467196 0.812940 0.252642 Mo\n0.861819 0.526230 0.750157 Mo\n0.138607 0.472632 0.250131 Mo\n0.058657 0.734149 0.148510 S\n0.602842 0.933891 0.860448 S\n0.676959 0.006194 0.639909 S\n0.400484 0.059636 0.139372 S\n0.663210 0.321138 0.352418 S\n0.320911 0.000212 0.357943 S\n",
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"spacegroup": 8
},
{
"id": "jvasp-112996",
"created_at": "2022-09-04T14:38:46.339025Z",
"updated_at": "2022-09-04T14:38:46.339059Z",
"structure_string": "Yb1 Fe4 Sb12\n1.0\n7.515165 0.000000 -2.657012\n-3.757583 6.508324 -2.657012\n0.000000 0.000000 7.971037\nYb Fe Sb\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Fe\n0.500000 -0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n-0.000000 -0.000000 0.500000 Fe\n0.494653 0.161521 0.333131 Sb\n0.505348 0.838478 0.666870 Sb\n0.333131 0.171611 0.838479 Sb\n0.666869 0.828389 0.161522 Sb\n0.333131 0.494652 0.161522 Sb\n0.838479 0.333131 0.171611 Sb\n0.171611 0.838478 0.333131 Sb\n0.161522 0.666869 0.828390 Sb\n0.161522 0.333131 0.494653 Sb\n0.838479 0.666869 0.505348 Sb\n0.666869 0.505347 0.838479 Sb\n0.828390 0.161521 0.666870 Sb\n",
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{
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"created_at": "2022-09-04T14:37:42.501602Z",
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"structure_string": "Ca8 Sn4 S16\n1.0\n7.094817 -0.000000 0.000000\n0.000000 7.946385 0.000000\n0.000000 0.000000 11.389802\nCa Sn S\n8 4 16\ndirect\n0.094313 -0.000020 0.684443 Ca\n0.405687 0.500019 0.184443 Ca\n0.905687 0.499980 0.315556 Ca\n0.594313 0.000020 0.815556 Ca\n0.905687 0.000020 0.315556 Ca\n0.594313 0.499980 0.815556 Ca\n0.094313 0.500019 0.684443 Ca\n0.405687 -0.000020 0.184443 Ca\n0.499968 0.250000 0.499988 Sn\n0.000032 0.250000 -0.000012 Sn\n0.500032 0.750000 0.500012 Sn\n-0.000032 0.750000 0.000012 Sn\n0.738267 0.499998 0.551660 S\n0.761733 0.000002 0.051660 S\n0.738267 0.000002 0.551660 S\n0.761733 0.499998 0.051660 S\n0.261733 0.500001 0.448339 S\n0.238267 -0.000002 0.948339 S\n0.625903 0.250000 0.294121 S\n0.625944 0.750000 0.294136 S\n0.374097 0.750000 0.705879 S\n0.125903 0.750000 0.205879 S\n0.374056 0.250000 0.705863 S\n0.125944 0.250000 0.205863 S\n0.238267 0.500001 0.948339 S\n0.874056 0.750000 0.794136 S\n0.874097 0.250000 0.794121 S\n0.261733 -0.000002 0.448339 S\n",
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{
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