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{
"id": "jvasp-34696",
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"structure_string": "Na3 Li3 C3 O9\n1.0\n4.162252 -7.209233 0.000000\n4.162252 7.209233 -0.000000\n-0.000000 -0.000000 3.255716\nNa Li C O\n3 3 3 9\ndirect\n0.038498 0.323765 0.500001 Na\n0.676235 0.714733 0.500001 Na\n0.285267 0.961501 0.500001 Na\n0.380184 0.340302 0.000000 Li\n0.960117 0.619815 0.000000 Li\n0.659698 0.039883 0.000000 Li\n0.333333 0.666667 0.000000 C\n0.666667 0.333333 0.500001 C\n0.000000 0.000000 0.000000 C\n0.541697 0.383699 0.500001 O\n0.265209 0.488542 0.000000 O\n0.511457 0.776666 0.000000 O\n0.223333 0.734791 0.000000 O\n0.911811 0.819993 0.000000 O\n0.180007 0.091818 0.000000 O\n0.842002 0.458303 0.500001 O\n0.616300 0.157998 0.500001 O\n0.908181 0.088188 0.000000 O\n",
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{
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"structure_string": "Cd1 In1 Ag1 Te3\n1.0\n7.297240 -0.011318 3.274498\n5.836117 4.380591 3.274498\n0.004193 0.001395 6.549384\nCd In Ag Te\n1 1 1 3\ndirect\n0.664553 0.664551 0.336109 Cd\n0.335384 0.335382 0.652533 In\n-0.000473 -0.000473 0.011552 Ag\n0.500921 0.500919 0.241421 Te\n0.162952 0.162950 0.592697 Te\n0.836672 0.836669 0.915687 Te\n",
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{
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"structure_string": "Mo2 W2 Se2 S6\n1.0\n3.224911 -0.000006 0.000001\n-1.612460 2.792848 -0.000038\n-0.000002 -0.000434 34.112706\nMo W Se S\n2 2 2 6\ndirect\n0.333309 0.666622 0.096638 Mo\n0.666687 0.333371 0.658154 Mo\n0.333337 0.666667 0.468952 W\n0.666668 0.333340 0.279173 W\n0.666673 0.333340 0.418492 Se\n0.666666 0.333327 0.519411 Se\n0.333352 0.666708 0.325043 S\n0.333363 0.666725 0.703728 S\n0.666632 0.333266 0.051063 S\n0.666652 0.333310 0.142253 S\n0.333318 0.666640 0.233318 S\n0.333345 0.666684 0.612522 S\n",
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{
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"updated_at": "2022-09-04T14:38:53.796017Z",
"structure_string": "Rb4 Cu4 Te4 S12\n1.0\n10.570131 0.000000 0.000000\n-0.000000 7.103955 2.022549\n-0.000000 0.003138 8.083214\nRb Cu Te S\n4 4 4 12\ndirect\n0.239847 0.474456 0.883383 Rb\n0.760153 0.525545 0.116617 Rb\n0.739847 0.525545 0.616616 Rb\n0.260153 0.474456 0.383383 Rb\n0.249507 0.914661 0.520336 Cu\n0.750493 0.085340 0.479663 Cu\n0.749507 0.085340 0.979663 Cu\n0.250493 0.914661 0.020336 Cu\n0.999171 0.063928 0.732935 Te\n0.000828 0.936073 0.267064 Te\n0.499171 0.936074 0.767064 Te\n0.500828 0.063927 0.232936 Te\n0.938116 0.263260 0.914804 S\n0.060201 0.738542 0.548604 S\n0.939799 0.261459 0.451395 S\n0.560201 0.261459 0.951395 S\n0.439799 0.738542 0.048605 S\n0.729921 0.892978 0.776180 S\n0.270079 0.107023 0.223819 S\n0.229921 0.107023 0.723819 S\n0.770079 0.892978 0.276181 S\n0.438116 0.736741 0.585195 S\n0.561884 0.263260 0.414805 S\n0.061884 0.736741 0.085195 S\n",
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{
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"structure_string": "Li2 Cu2 B2 O6\n1.0\n5.227227 -0.026754 -0.040890\n-2.589220 4.543112 0.027811\n-2.359231 -1.388093 4.772776\nLi Cu B O\n2 2 2 6\ndirect\n0.469038 0.394955 0.708686 Li\n0.530964 0.605046 0.291315 Li\n0.153884 0.774754 0.742994 Cu\n0.846118 0.225247 0.257007 Cu\n0.826121 0.083845 0.749012 B\n0.173881 0.916156 0.250989 B\n0.047991 0.315840 0.679457 O\n0.642670 0.140546 0.841094 O\n0.764727 0.795410 0.709265 O\n0.235275 0.204591 0.290736 O\n0.357332 0.859455 0.158907 O\n0.952011 0.684162 0.320544 O\n",
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{
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"created_at": "2022-09-04T14:37:12.043369Z",
"updated_at": "2022-09-04T14:37:12.043388Z",
"structure_string": "K2 Th2 Cu2 S6\n1.0\n4.085172 0.000000 0.000000\n-2.042586 6.850014 -0.000000\n0.000000 0.000000 10.569499\nK Th Cu S\n2 2 2 6\ndirect\n0.744033 0.488067 0.250000 K\n0.255965 0.511932 0.750000 K\n0.000000 0.000000 0.000000 Th\n0.000000 0.000000 0.500000 Th\n0.466742 0.933486 0.250000 Cu\n0.533256 0.066513 0.750000 Cu\n0.629415 0.258831 0.932799 S\n0.370583 0.741168 0.067201 S\n0.933667 0.867337 0.750000 S\n0.066331 0.132662 0.250000 S\n0.370583 0.741168 0.432799 S\n0.629415 0.258831 0.567201 S\n",
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{
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"created_at": "2022-09-04T14:38:33.726437Z",
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"structure_string": "Mo2 W2 Se2 S6\n1.0\n3.224952 -0.000000 -0.000002\n-1.612476 2.792884 -0.000017\n-0.000020 -0.000237 34.073254\nMo W Se S\n2 2 2 6\ndirect\n0.333314 0.666636 0.096902 Mo\n0.666661 0.333317 0.279088 Mo\n0.333338 0.666676 0.468410 W\n0.666679 0.333364 0.658513 W\n0.666666 0.333333 0.417891 Se\n0.666675 0.333348 0.518930 Se\n0.333338 0.666673 0.324767 S\n0.333347 0.666700 0.704389 S\n0.666655 0.333319 0.051274 S\n0.666643 0.333291 0.142568 S\n0.333325 0.666644 0.233429 S\n0.333339 0.666684 0.612588 S\n",
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"structure_string": "La4 Cu4 Pb4 S12\n1.0\n4.145298 -0.000000 0.000000\n0.000000 8.102968 0.000000\n-0.000000 -0.000000 15.977879\nLa Cu Pb S\n4 4 4 12\ndirect\n0.250000 0.249898 0.959966 La\n0.250000 0.749898 0.540034 La\n0.750000 0.750102 0.040034 La\n0.750000 0.250102 0.459966 La\n0.250000 0.126173 0.631075 Cu\n0.250000 0.626173 0.868925 Cu\n0.750000 0.873827 0.368925 Cu\n0.750000 0.373827 0.131075 Cu\n0.750000 0.913524 0.780028 Pb\n0.750000 0.413524 0.719972 Pb\n0.250000 0.086477 0.219972 Pb\n0.250000 0.586477 0.280028 Pb\n0.750000 0.989571 0.597955 S\n0.250000 0.181748 0.778718 S\n0.250000 0.681748 0.721282 S\n0.750000 0.818252 0.221282 S\n0.750000 0.318252 0.278718 S\n0.250000 0.380088 0.563046 S\n0.250000 0.880088 0.936954 S\n0.750000 0.619912 0.436954 S\n0.750000 0.119912 0.063046 S\n0.250000 0.010429 0.402045 S\n0.250000 0.510429 0.097955 S\n0.750000 0.489571 0.902045 S\n",
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{
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"structure_string": "Na4 Fe4 B4 O12\n1.0\n4.943602 -0.000216 0.958308\n0.000373 8.950508 0.000832\n0.019209 -0.000926 5.546486\nNa Fe B O\n4 4 4 12\ndirect\n-0.000008 0.335241 0.749958 Na\n0.500003 0.835222 0.750022 Na\n0.499994 0.164755 0.249985 Na\n0.000011 0.664781 0.250038 Na\n0.500010 0.499998 0.499974 Fe\n0.499997 0.499998 0.000021 Fe\n-0.000011 0.000001 0.500027 Fe\n0.000002 0.000002 0.999979 Fe\n0.000001 0.331660 0.249964 B\n0.500001 0.831674 0.250030 B\n0.499991 0.168338 0.749974 B\n0.000005 0.668326 0.750034 B\n0.214759 0.407694 0.314696 O\n0.500012 0.323278 0.749919 O\n-0.000031 0.823270 0.750021 O\n0.000028 0.176718 0.249982 O\n0.499998 0.676732 0.250075 O\n0.285204 0.092321 0.685263 O\n0.785244 0.592294 0.685305 O\n0.714748 0.092327 0.814740 O\n0.214807 0.592336 0.814768 O\n0.785209 0.407657 0.185222 O\n0.285229 0.907676 0.185274 O\n0.714787 0.907693 0.314741 O\n",
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{
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"created_at": "2022-09-04T14:37:19.787667Z",
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"structure_string": "Mo2 W2 Se6 S2\n1.0\n3.292765 0.000000 0.000000\n-1.646383 2.851613 0.000007\n0.000000 0.000149 34.945335\nMo W Se S\n2 2 6 2\ndirect\n0.333313 0.666623 0.096431 Mo\n0.666685 0.333367 0.278949 Mo\n0.333342 0.666680 0.468647 W\n0.666666 0.333330 0.658889 W\n0.333349 0.666697 0.327180 Se\n0.333330 0.666656 0.707352 Se\n0.666679 0.333353 0.420128 Se\n0.666672 0.333339 0.517161 Se\n0.333349 0.666695 0.230726 Se\n0.333335 0.666670 0.610367 Se\n0.666650 0.333295 0.052537 S\n0.666645 0.333287 0.140380 S\n",
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{
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]
}