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{
"id": "jvasp-111682",
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"structure_string": "La6 Sb8 Au6\n1.0\n8.348842 -0.000000 -2.951761\n-4.174420 7.230309 -2.951761\n-0.000000 -0.000000 8.855284\nLa Sb Au\n6 8 6\ndirect\n0.875000 0.250000 0.125000 La\n0.625000 0.750000 0.375000 La\n0.250000 0.125000 0.875000 La\n0.750000 0.375000 0.625000 La\n0.125000 0.875000 0.250000 La\n0.375000 0.625000 0.750000 La\n0.326554 0.326554 0.326554 Sb\n0.000000 0.173446 0.500000 Sb\n0.173446 0.500000 0.000000 Sb\n0.500000 0.000000 0.173446 Sb\n0.826554 0.826554 0.826554 Sb\n0.000000 0.673446 0.500000 Sb\n0.500000 0.000000 0.673445 Sb\n0.673446 0.500000 0.000000 Sb\n0.375000 0.250000 0.625000 Au\n0.125000 0.750000 0.875000 Au\n0.250000 0.625000 0.375000 Au\n0.750000 0.875000 0.125000 Au\n0.625000 0.375000 0.250000 Au\n0.875000 0.125000 0.750000 Au\n",
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{
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{
"id": "jvasp-29421",
"created_at": "2022-09-04T14:38:03.414173Z",
"updated_at": "2022-09-04T14:38:03.414189Z",
"structure_string": "Mg4 H24 C8 O24\n1.0\n7.197630 -0.000000 0.000000\n0.000000 8.507897 0.000000\n0.000000 0.000000 8.731124\nMg H C O\n4 24 8 24\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.347107 0.515465 0.620467 H\n0.642873 0.123730 0.994821 H\n0.847107 0.984536 0.620467 H\n0.417606 0.187823 0.170574 H\n0.152893 0.515465 0.120468 H\n0.357127 0.876270 0.005179 H\n0.857127 0.623730 0.005179 H\n0.642873 0.623730 0.505178 H\n0.582394 0.312178 0.670574 H\n0.082394 0.187823 0.670574 H\n0.652893 0.484535 0.379532 H\n0.142873 0.376270 0.994821 H\n0.347107 0.015465 0.879532 H\n0.857127 0.123730 0.494821 H\n0.652893 0.984536 0.120468 H\n0.357127 0.376270 0.494821 H\n0.917606 0.812178 0.329426 H\n0.417606 0.687823 0.329426 H\n0.082394 0.687823 0.829426 H\n0.582394 0.812178 0.829426 H\n0.142873 0.876270 0.505178 H\n0.152893 0.015465 0.379532 H\n0.917606 0.312178 0.170574 H\n0.847107 0.484535 0.879532 H\n0.520392 0.234807 0.759105 C\n0.979608 0.734807 0.240894 C\n0.979608 0.234807 0.259106 C\n0.020392 0.265194 0.759105 C\n0.479608 0.765194 0.240894 C\n0.479608 0.265194 0.259106 C\n0.520392 0.734807 0.740894 C\n0.020392 0.765194 0.740894 C\n0.478587 0.218368 0.397205 O\n0.978587 0.781633 0.102795 O\n0.218637 0.465040 0.032741 O\n0.454954 0.603151 0.782390 O\n0.718637 0.534960 0.467258 O\n0.521413 0.281633 0.897205 O\n0.954954 0.396850 0.717610 O\n0.954954 0.896850 0.782390 O\n0.021413 0.218368 0.897205 O\n0.521413 0.781633 0.602794 O\n0.545045 0.396850 0.217610 O\n0.021413 0.718368 0.602794 O\n0.045046 0.103150 0.217610 O\n0.454954 0.103150 0.717610 O\n0.218637 0.965040 0.467258 O\n0.281363 0.965040 0.967258 O\n0.545045 0.896850 0.282390 O\n0.978587 0.281633 0.397205 O\n0.718637 0.034960 0.032741 O\n0.781363 0.534960 0.967258 O\n0.045046 0.603151 0.282390 O\n0.478587 0.718368 0.102795 O\n0.281363 0.465040 0.532741 O\n0.781363 0.034960 0.532741 O\n",
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{
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"created_at": "2022-09-04T14:36:04.873737Z",
"updated_at": "2022-09-04T14:36:04.873764Z",
"structure_string": "Na4 Hg4 Cl12\n1.0\n4.113188 0.000000 0.000000\n-0.000000 8.351051 0.000000\n0.000000 0.000000 15.567650\nNa Hg Cl\n4 4 12\ndirect\n0.250000 0.628671 0.097562 Na\n0.750000 0.871329 0.597562 Na\n0.750000 0.371329 0.902438 Na\n0.250000 0.128671 0.402438 Na\n0.250000 0.656635 0.405996 Hg\n0.750000 0.843365 0.905996 Hg\n0.750000 0.343365 0.594004 Hg\n0.250000 0.156635 0.094004 Hg\n0.750000 0.391554 0.085647 Cl\n0.750000 0.349420 0.436481 Cl\n0.250000 0.108446 0.585647 Cl\n0.750000 0.891554 0.414353 Cl\n0.250000 0.650580 0.563519 Cl\n0.750000 0.458481 0.732617 Cl\n0.250000 0.541519 0.267383 Cl\n0.250000 0.608446 0.914353 Cl\n0.750000 0.849419 0.063519 Cl\n0.750000 -0.041519 0.767383 Cl\n0.250000 0.150580 0.936481 Cl\n0.250000 0.041519 0.232617 Cl\n",
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{
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"created_at": "2022-09-04T14:37:40.659764Z",
"updated_at": "2022-09-04T14:37:40.659778Z",
"structure_string": "Nb6 Se18\n1.0\n0.000000 10.164244 0.167821\n3.520962 0.000000 0.000000\n0.000000 -5.027455 -15.026110\nNb Se\n6 18\ndirect\n0.705645 0.250000 0.538678 Nb\n0.294355 0.749999 0.461322 Nb\n0.318939 0.250000 0.207170 Nb\n0.681061 0.749999 0.792830 Nb\n0.346010 0.250000 0.882539 Nb\n0.653990 0.749999 0.117461 Nb\n0.818526 0.250000 0.723824 Se\n0.181474 0.749999 0.276176 Se\n0.832448 0.250000 0.911681 Se\n0.167552 0.749999 0.088319 Se\n0.803861 0.250000 0.237376 Se\n0.196139 0.749999 0.762624 Se\n0.831752 0.250000 0.084678 Se\n0.168248 0.749999 0.915322 Se\n0.915347 0.749999 0.575541 Se\n0.556077 0.749999 0.932575 Se\n0.528091 0.749999 0.248454 Se\n0.084653 0.250000 0.424459 Se\n0.555979 0.749999 0.594096 Se\n0.444021 0.250000 0.405904 Se\n0.752864 0.749999 0.423869 Se\n0.247136 0.250000 0.576131 Se\n0.443923 0.250000 0.067425 Se\n0.471909 0.250000 0.751546 Se\n",
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},
{
"id": "jvasp-31871",
"created_at": "2022-09-04T14:37:32.133540Z",
"updated_at": "2022-09-04T14:37:32.133564Z",
"structure_string": "Ta2 Te4 Br10 O1\n1.0\n6.922785 0.020359 0.439596\n2.329350 8.389399 1.236490\n-0.007549 -0.011804 9.216561\nTa Te Br O\n2 4 10 1\ndirect\n0.508891 0.643762 0.633634 Ta\n0.491109 0.356239 0.366366 Ta\n0.921451 0.805136 0.004808 Te\n0.820882 0.098142 0.837726 Te\n0.078550 0.194864 0.995192 Te\n0.179118 0.901859 0.162274 Te\n0.159841 0.805387 0.574362 Br\n0.374549 0.475403 0.840201 Br\n0.840160 0.194613 0.425639 Br\n0.866246 0.478818 0.710010 Br\n0.625451 0.524598 0.159799 Br\n0.479825 0.157094 0.178798 Br\n0.520175 0.842907 0.821203 Br\n0.336143 0.196668 0.559368 Br\n0.663857 0.803333 0.440632 Br\n0.133754 0.521183 0.289990 Br\n0.500000 0.500000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:38:35.907152Z",
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"structure_string": "Nb5 V3 S20\n1.0\n8.537149 -0.043933 4.116578\n5.938166 6.133762 4.116578\n-0.052097 -0.021918 10.138527\nNb V S\n5 3 20\ndirect\n0.330459 0.834455 0.862046 Nb\n0.834456 0.330459 0.862046 Nb\n0.166051 0.166051 0.140498 Nb\n0.666308 0.666308 0.141474 Nb\n0.801642 0.801642 0.592115 Nb\n0.304027 0.304027 0.592242 V\n0.694092 0.204089 0.403648 V\n0.204090 0.694092 0.403648 V\n0.979679 0.478210 0.253212 S\n0.310837 0.809767 0.137832 S\n0.809767 0.310837 0.137832 S\n0.959717 0.442069 0.587760 S\n0.686855 0.686854 0.869173 S\n0.442070 0.959717 0.587760 S\n0.478211 0.979679 0.253212 S\n0.189408 0.189408 0.863277 S\n0.521759 0.521759 0.747600 S\n0.616561 0.133099 0.662080 S\n0.883885 0.883884 0.326421 S\n0.378645 0.378645 0.336452 S\n0.046146 0.046146 0.411007 S\n0.133100 0.616561 0.662080 S\n0.036402 0.536494 0.022545 S\n0.536494 0.036402 0.022545 S\n0.462360 0.462360 0.978175 S\n0.961634 0.961633 0.980790 S\n0.019001 0.019000 0.749946 S\n0.546350 0.546350 0.412595 S\n",
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{
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"created_at": "2022-09-04T14:35:51.861040Z",
"updated_at": "2022-09-04T14:35:51.861050Z",
"structure_string": "Bi8 Te4 O20\n1.0\n5.578190 0.000000 0.000000\n-2.789095 8.303524 0.000000\n0.000000 0.000000 11.553980\nBi Te O\n8 4 20\ndirect\n0.437090 0.830402 0.610558 Bi\n0.937090 0.830402 0.389442 Bi\n0.106687 0.169598 0.610558 Bi\n0.258243 0.500000 0.873729 Bi\n0.758243 0.500000 0.126271 Bi\n0.749772 0.500000 0.615479 Bi\n0.249772 0.500000 0.384521 Bi\n0.606687 0.169598 0.389442 Bi\n0.951179 0.838479 0.870867 Te\n0.112701 0.161521 0.129133 Te\n0.451179 0.838479 0.129133 Te\n0.612701 0.161521 0.870867 Te\n0.938815 0.297535 0.063302 O\n0.641279 0.702464 0.936698 O\n0.236892 0.000000 0.500000 O\n0.736892 0.000000 0.500000 O\n0.876308 0.315328 0.788582 O\n0.897131 0.081631 0.256632 O\n0.815498 0.918368 0.743368 O\n0.141279 0.702464 0.063302 O\n0.438815 0.297535 0.936698 O\n0.388500 0.500000 0.704137 O\n0.888500 0.500000 0.295863 O\n0.630924 0.675829 0.511531 O\n0.955095 0.324171 0.488469 O\n0.130924 0.675829 0.488469 O\n0.455095 0.324171 0.511531 O\n0.060980 0.684672 0.788582 O\n0.376308 0.315328 0.211418 O\n0.560980 0.684672 0.211418 O\n0.315498 0.918368 0.256632 O\n0.397131 0.081631 0.743368 O\n",
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"spacegroup": 39
},
{
"id": "jvasp-29609",
"created_at": "2022-09-04T14:38:03.178355Z",
"updated_at": "2022-09-04T14:38:03.178374Z",
"structure_string": "Hg6 As2 Se8 I2\n1.0\n7.865318 -0.000000 0.000000\n-3.932659 6.811565 0.000000\n0.000000 -0.000000 9.991272\nHg As Se I\n6 2 8 2\ndirect\n0.496737 0.993475 0.242917 Hg\n0.503264 0.006526 0.742917 Hg\n0.006526 0.503264 0.242917 Hg\n0.993474 0.496737 0.742917 Hg\n0.496737 0.503264 0.242917 Hg\n0.503264 0.496737 0.742917 Hg\n0.000000 0.000000 0.231451 As\n0.000000 0.000000 0.731451 As\n0.698866 0.849434 0.866563 Se\n0.666667 0.333333 0.603023 Se\n0.150567 0.849434 0.866563 Se\n0.333333 0.666667 0.103023 Se\n0.301134 0.150567 0.366563 Se\n0.849434 0.150567 0.366563 Se\n0.849434 0.698866 0.366563 Se\n0.150567 0.301134 0.866563 Se\n0.333333 0.666667 0.521705 I\n0.666667 0.333333 0.021705 I\n",
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},
{
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"created_at": "2022-09-04T14:37:06.693854Z",
"updated_at": "2022-09-04T14:37:06.693884Z",
"structure_string": "Pd2 Pb4 Br12\n1.0\n0.000000 8.362248 0.009271\n6.711787 0.000000 0.000000\n0.000000 -0.131217 -9.543643\nPd Pb Br\n2 4 12\ndirect\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.383336 0.956922 0.722967 Pb\n0.116664 0.456922 0.277033 Pb\n0.616664 0.043078 0.277033 Pb\n0.883336 0.543078 0.722967 Pb\n0.026271 0.116217 0.754533 Br\n0.473729 0.616217 0.245467 Br\n0.973729 0.883783 0.245467 Br\n0.526271 0.383783 0.754533 Br\n0.345372 0.194720 0.053956 Br\n0.825984 0.352708 0.440561 Br\n0.674015 0.852708 0.559439 Br\n0.654627 0.805281 0.946044 Br\n0.325984 0.147292 0.440561 Br\n0.174015 0.647293 0.559439 Br\n0.154627 0.694720 0.946044 Br\n0.845372 0.305280 0.053956 Br\n",
"nsites": 18,
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"elements": [
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{
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{
"id": "jvasp-30787",
"created_at": "2022-09-04T14:38:36.800868Z",
"updated_at": "2022-09-04T14:38:36.800892Z",
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}