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{
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"results": [
{
"id": "jvasp-29924",
"created_at": "2022-09-04T14:38:35.498162Z",
"updated_at": "2022-09-04T14:38:35.498193Z",
"structure_string": "Th6 Fe1 Br15\n1.0\n9.402332 -0.000036 -3.324280\n-4.701166 8.142686 -3.324194\n-0.000045 0.000029 9.972714\nTh Fe Br\n6 1 15\ndirect\n0.000002 0.240315 0.240316 Th\n0.759688 0.759687 0.999999 Th\n0.999997 0.759685 0.759684 Th\n0.240311 0.000000 0.240311 Th\n0.759687 -0.000001 0.759688 Th\n0.240313 0.240315 0.000002 Th\n-0.000001 -0.000001 -0.000001 Fe\n0.490258 0.745129 0.745129 Br\n0.745130 -0.000002 0.254866 Br\n0.745125 0.745130 0.490258 Br\n0.999999 0.254869 0.745129 Br\n0.254874 0.254869 0.509742 Br\n0.500000 0.500000 0.999998 Br\n0.745131 0.490261 0.745130 Br\n0.000000 0.745128 0.254870 Br\n0.509742 0.254870 0.254872 Br\n0.500000 -0.000000 0.500000 Br\n0.254871 0.000005 0.745135 Br\n0.745130 0.254868 0.000001 Br\n0.254872 0.509741 0.254872 Br\n0.254867 0.745131 -0.000002 Br\n0.000001 0.500000 0.500002 Br\n",
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{
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"updated_at": "2022-09-04T14:38:35.495066Z",
"structure_string": "Sr2 Ca2 Ti4 O12\n1.0\n5.495092 0.000000 0.000000\n0.000000 5.522604 0.000000\n-0.000000 -0.000000 7.752269\nSr Ca Ti O\n2 2 4 12\ndirect\n0.252033 0.984309 0.500000 Sr\n0.747967 0.484310 0.500000 Sr\n0.244287 0.038409 -0.000000 Ca\n0.755713 0.538409 -0.000000 Ca\n0.253904 0.510445 0.755117 Ti\n0.746096 0.010446 0.244883 Ti\n0.253904 0.510445 0.244883 Ti\n0.746096 0.010446 0.755117 Ti\n0.679331 0.976887 -0.000000 O\n0.320669 0.476887 -0.000000 O\n0.968913 0.274443 0.789074 O\n0.031087 0.774443 0.210926 O\n0.528425 0.715742 0.272881 O\n0.968913 0.274443 0.210926 O\n0.528425 0.715742 0.727119 O\n0.471574 0.215742 0.272881 O\n0.202147 0.499128 0.500000 O\n0.031087 0.774443 0.789074 O\n0.471574 0.215742 0.727119 O\n0.797852 -0.000871 0.500000 O\n",
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"formula_full": "Sr2 Ca2 Ti4 O12",
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{
"id": "jvasp-26076",
"created_at": "2022-09-04T14:38:35.490817Z",
"updated_at": "2022-09-04T14:38:35.490831Z",
"structure_string": "Tm2 Ni12 P7\n1.0\n4.531742 -7.849207 0.000000\n4.531742 7.849207 0.000000\n-0.000000 -0.000000 3.680191\nTm Ni P\n2 12 7\ndirect\n0.666667 0.333333 0.500000 Tm\n0.333333 0.666667 0.000000 Tm\n0.906404 0.783145 0.500000 Ni\n0.876740 0.093595 0.500000 Ni\n0.216855 0.123259 0.500000 Ni\n0.050197 0.432617 0.500000 Ni\n0.382419 0.949802 0.500000 Ni\n0.567383 0.617580 0.500000 Ni\n0.121872 0.275390 0.000000 Ni\n0.153518 0.878128 0.000000 Ni\n0.937404 0.564910 0.000000 Ni\n0.627507 0.062596 0.000000 Ni\n0.435089 0.372493 0.000000 Ni\n0.724610 0.846482 0.000000 Ni\n0.293955 0.406729 0.500000 P\n0.000000 0.000000 0.000000 P\n0.409204 0.114326 0.000000 P\n0.885674 0.294877 0.000000 P\n0.705122 0.590795 0.000000 P\n0.112774 0.706045 0.500000 P\n0.593271 0.887226 0.500000 P\n",
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{
"id": "jvasp-37594",
"created_at": "2022-09-04T14:38:35.490466Z",
"updated_at": "2022-09-04T14:38:35.490494Z",
"structure_string": "Ti3 N1\n1.0\n-1.732731 1.732731 4.298417\n1.732731 -1.732731 4.298417\n1.732731 1.732731 -4.298417\nTi N\n3 1\ndirect\n0.749999 0.250000 0.499999 Ti\n0.250000 0.749999 0.499999 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 N\n",
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{
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"created_at": "2022-09-04T14:38:35.487023Z",
"updated_at": "2022-09-04T14:38:35.487039Z",
"structure_string": "Li2 In2 Mo4 O16\n1.0\n5.028899 0.000223 -0.083305\n-0.147688 7.389044 -1.410171\n0.000635 -0.019257 7.523828\nLi In Mo O\n2 2 4 16\ndirect\n0.750000 0.584705 0.415294 Li\n0.249999 0.415293 0.584706 Li\n0.250000 0.907525 0.092474 In\n0.749999 0.092474 0.907525 In\n0.249555 0.887776 0.572731 Mo\n0.250444 0.427269 0.112223 Mo\n0.750444 0.112222 0.427268 Mo\n0.749555 0.572730 0.887777 Mo\n0.043184 0.443972 0.831109 O\n0.956815 0.556026 0.168891 O\n0.543185 0.831108 0.443973 O\n0.567417 0.348208 0.947789 O\n0.932582 0.052211 0.651791 O\n0.432582 0.651791 0.052211 O\n0.067417 0.947788 0.348209 O\n0.409384 0.435869 0.318061 O\n0.612372 0.059558 0.188697 O\n0.112372 0.188698 0.059559 O\n0.387627 0.940440 0.811302 O\n0.909384 0.318061 0.435869 O\n0.590615 0.564130 0.681939 O\n0.456814 0.168891 0.556027 O\n0.090615 0.681938 0.564131 O\n0.887627 0.811301 0.940441 O\n",
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"formula_full": "Li2 In2 Mo4 O16",
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"spacegroup": 15
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{
"id": "jvasp-37618",
"created_at": "2022-09-04T14:38:35.486535Z",
"updated_at": "2022-09-04T14:38:35.486564Z",
"structure_string": "Zn7 Sb8 Ru9\n1.0\n-0.000000 6.014689 6.014689\n6.014689 -0.000000 6.014689\n6.014689 6.014689 -0.000000\nZn Sb Ru\n7 8 9\ndirect\n0.500000 0.000000 -0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.500000 -0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 -0.000000 Zn\n0.000000 0.000000 0.000000 Zn\n0.750000 0.750000 0.750000 Sb\n0.250000 0.250000 0.250000 Sb\n0.725637 0.725637 0.274362 Sb\n0.725637 0.274362 0.725637 Sb\n0.274362 0.725637 0.274362 Sb\n0.274362 0.725637 0.725637 Sb\n0.725637 0.274362 0.274362 Sb\n0.274362 0.274362 0.725637 Sb\n0.370317 0.876561 0.876561 Ru\n0.123440 0.123440 0.123440 Ru\n0.123440 0.123440 0.629682 Ru\n0.629682 0.123440 0.123440 Ru\n0.123440 0.629682 0.123440 Ru\n0.876561 0.876561 0.876561 Ru\n0.876561 0.876561 0.370317 Ru\n0.876561 0.370317 0.876561 Ru\n0.500000 0.500000 0.500000 Ru\n",
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{
"id": "jvasp-4966",
"created_at": "2022-09-04T14:38:35.486129Z",
"updated_at": "2022-09-04T14:38:35.486157Z",
"structure_string": "Yb4 Cu4 S8\n1.0\n3.915152 -0.000000 0.000000\n-0.000000 6.214654 0.000000\n0.000000 0.000000 13.884834\nYb Cu S\n4 4 8\ndirect\n0.250000 0.476730 0.135266 Yb\n0.750000 0.523270 0.864733 Yb\n0.750000 0.976729 0.364734 Yb\n0.250000 0.023270 0.635266 Yb\n0.250000 0.134901 0.946295 Cu\n0.750000 0.634901 0.553705 Cu\n0.750000 0.865098 0.053705 Cu\n0.250000 0.365098 0.446295 Cu\n0.250000 0.265209 0.797633 S\n0.750000 0.734790 0.202367 S\n0.750000 0.765209 0.702367 S\n0.250000 0.234790 0.297633 S\n0.250000 0.761040 0.969725 S\n0.250000 0.738959 0.469725 S\n0.750000 0.261040 0.530275 S\n0.750000 0.238959 0.030275 S\n",
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{
"id": "jvasp-59859",
"created_at": "2022-09-04T14:38:35.475921Z",
"updated_at": "2022-09-04T14:38:35.475948Z",
"structure_string": "Ba4 Ti4 Cu2 F28\n1.0\n5.225099 -0.002797 0.001717\n-2.608614 7.108687 -0.062475\n-0.004282 -0.517557 15.077795\nBa Ti Cu F\n4 4 2 28\ndirect\n0.765557 0.633285 0.382666 Ba\n0.867594 0.633475 0.882668 Ba\n0.232427 0.364741 0.616523 Ba\n0.132188 0.364888 0.116527 Ba\n0.869533 0.761052 0.130423 Ti\n0.130383 0.237259 0.868904 Ti\n0.891101 0.760914 0.630445 Ti\n0.106454 0.237100 0.368932 Ti\n0.499942 0.999123 0.999646 Cu\n0.498686 0.998835 0.499624 Cu\n0.000394 0.356068 0.780055 F\n0.254816 0.152597 0.976140 F\n0.054883 -0.008950 0.338903 F\n0.745018 0.845618 0.023166 F\n0.897310 0.152324 0.476147 F\n0.513202 0.136017 0.604720 F\n0.834691 0.268395 0.301291 F\n0.642433 0.642256 0.719345 F\n0.100159 0.845294 0.523161 F\n0.377340 0.861881 0.894558 F\n0.063952 0.007142 0.160375 F\n0.841191 0.266841 0.941503 F\n0.433369 0.268456 0.801232 F\n-0.000657 0.642229 0.219304 F\n0.679292 0.514151 0.075404 F\n0.566464 0.729817 0.198092 F\n0.834400 0.513903 0.575532 F\n0.355238 0.356029 0.280084 F\n0.935911 -0.008803 0.838909 F\n0.158713 0.731473 0.057837 F\n0.622524 0.136349 0.104742 F\n0.484064 0.861604 0.394528 F\n0.163015 0.483897 0.424045 F\n0.425241 0.266640 0.441498 F\n0.572397 0.731252 0.557817 F\n0.942695 0.007014 0.660337 F\n0.162932 0.729807 0.698147 F\n0.320631 0.484121 0.923949 F\n",
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{
"id": "jvasp-56243",
"created_at": "2022-09-04T14:38:35.473841Z",
"updated_at": "2022-09-04T14:38:35.473871Z",
"structure_string": "Ba2 Bi3\n1.0\n4.535532 -0.000000 1.709375\n1.745312 6.304179 2.240927\n-0.015976 0.064136 6.914202\nBa Bi\n2 3\ndirect\n0.777041 0.722958 0.722958 Ba\n0.222957 0.277043 0.277043 Ba\n0.499999 0.295136 0.704865 Bi\n0.000000 0.000000 0.000000 Bi\n0.499999 0.704865 0.295136 Bi\n",
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{
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"created_at": "2022-09-04T14:38:35.473479Z",
"updated_at": "2022-09-04T14:38:35.473506Z",
"structure_string": "K4 Fe4 Br12\n1.0\n3.976757 -0.000000 0.000000\n0.000000 9.135649 0.000000\n0.000000 0.000000 14.866946\nK Fe Br\n4 4 12\ndirect\n0.250000 0.935784 0.327497 K\n0.750001 0.064216 0.672503 K\n0.250000 0.435784 0.172503 K\n0.750001 0.564216 0.827497 K\n0.250000 0.659887 0.554511 Fe\n0.750001 0.340113 0.445489 Fe\n0.250000 0.159887 0.945489 Fe\n0.750001 0.840114 0.054511 Fe\n0.250000 0.023992 0.101798 Br\n0.750001 0.976008 0.898202 Br\n0.250000 0.674301 0.994791 Br\n0.750001 0.325699 0.005209 Br\n0.250000 0.174301 0.505210 Br\n0.250000 0.278407 0.792409 Br\n0.250000 0.778407 0.707591 Br\n0.750001 0.221593 0.292409 Br\n0.750001 0.476008 0.601798 Br\n0.750001 0.721593 0.207591 Br\n0.750001 0.825699 0.494791 Br\n0.250000 0.523992 0.398202 Br\n",
"nsites": 20,
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],
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{
"id": "jvasp-52194",
"created_at": "2022-09-04T14:38:35.473444Z",
"updated_at": "2022-09-04T14:38:35.473476Z",
"structure_string": "Li3 Ti4 O8\n1.0\n5.901984 0.001968 0.000288\n2.949337 5.112168 0.000370\n2.950263 1.704386 4.876418\nLi Ti O\n3 4 8\ndirect\n-0.000000 0.000000 0.500000 Li\n0.499999 0.500001 0.500000 Li\n-0.000000 0.500001 0.500000 Li\n0.500000 0.500000 0.000000 Ti\n0.499999 0.000000 0.500000 Ti\n0.499999 0.000000 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.262088 0.223611 0.752205 O\n0.254722 0.754734 0.235824 O\n0.737893 0.237906 0.247814 O\n0.723608 0.762089 0.752194 O\n0.276390 0.237912 0.247807 O\n0.262105 0.762095 0.752187 O\n0.745276 0.245267 0.764177 O\n0.737911 0.776390 0.247796 O\n",
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{
"id": "jvasp-21561",
"created_at": "2022-09-04T14:38:35.469234Z",
"updated_at": "2022-09-04T14:38:35.469264Z",
"structure_string": "Nb8 Cr2 S16\n1.0\n3.351594 -5.805132 0.000000\n3.351594 5.805132 -0.000000\n0.000000 0.000000 12.005228\nNb Cr S\n8 2 16\ndirect\n0.506450 0.012901 0.750000 Nb\n0.493549 0.506450 0.250000 Nb\n0.012901 0.506450 0.250000 Nb\n0.987098 0.493548 0.750000 Nb\n0.506450 0.493549 0.750000 Nb\n0.493548 0.987098 0.250000 Nb\n0.000000 0.000000 0.750000 Nb\n0.000000 0.000000 0.250000 Nb\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.333332 0.666666 0.385001 S\n0.666666 0.333332 0.885001 S\n0.666666 0.333332 0.615000 S\n0.333332 0.666666 0.115000 S\n0.667014 0.833506 0.881543 S\n0.332985 0.166493 0.381543 S\n0.833506 0.166492 0.381543 S\n0.332985 0.166493 0.118457 S\n0.166492 0.833506 0.618457 S\n0.166493 0.332985 0.881543 S\n0.667014 0.833506 0.618457 S\n0.833506 0.667014 0.381543 S\n0.833506 0.667014 0.118457 S\n0.833506 0.166492 0.118457 S\n0.166493 0.332985 0.618457 S\n0.166492 0.833506 0.881543 S\n",
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]
}