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{
"id": "jvasp-98780",
"created_at": "2022-09-04T14:35:47.575892Z",
"updated_at": "2022-09-04T14:35:47.575916Z",
"structure_string": "S36\n1.0\n7.292104 0.000000 0.000000\n0.000000 10.552045 -0.565180\n0.000000 -0.148999 11.879147\nS\n36\ndirect\n0.477606 0.705797 0.571016 S\n0.003516 0.508913 0.159302 S\n0.419974 0.804105 0.310471 S\n0.522394 0.294203 0.428985 S\n0.466204 0.205171 0.007103 S\n0.496484 0.008913 0.659302 S\n0.077996 0.184641 0.357621 S\n0.758469 0.404438 0.428454 S\n0.959942 0.005730 0.350230 S\n0.233715 0.486906 0.259556 S\n0.919974 0.695895 0.189529 S\n0.241531 0.595561 0.571546 S\n0.766285 0.513093 0.740444 S\n0.033796 0.705171 0.507103 S\n0.977605 0.794202 0.928985 S\n0.733714 0.013093 0.240444 S\n0.577996 0.315359 0.142379 S\n0.741530 0.904438 0.928455 S\n0.081681 0.809502 0.092738 S\n0.418318 0.309502 0.592738 S\n0.503515 0.991086 0.340698 S\n0.022394 0.205797 0.071016 S\n0.996484 0.491086 0.840698 S\n0.080025 0.304105 0.810471 S\n0.922003 0.815359 0.642380 S\n0.266285 0.986906 0.759556 S\n0.422004 0.684640 0.857621 S\n0.258469 0.095561 0.071546 S\n0.581681 0.690497 0.407262 S\n0.918318 0.190498 0.907262 S\n0.040057 0.994269 0.649770 S\n0.580025 0.195895 0.689529 S\n0.533796 0.794828 0.992897 S\n0.459942 0.494270 0.149770 S\n0.540057 0.505730 0.850230 S\n0.966203 0.294829 0.492897 S\n",
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{
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"structure_string": "Th1 U1 Se2\n1.0\n4.152750 0.000000 0.000000\n0.000000 4.152750 0.000000\n0.000000 -0.000000 5.885647\nTh U Se\n1 1 2\ndirect\n0.500000 0.500000 -0.000000 Th\n0.000000 0.000000 0.500000 U\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 0.500000 Se\n",
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"formula_full": "Th1 U1 Se2",
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{
"id": "jvasp-12982",
"created_at": "2022-09-04T14:36:47.075811Z",
"updated_at": "2022-09-04T14:36:47.075838Z",
"structure_string": "P3 Br1 Cl14\n1.0\n7.490122 -0.009088 -4.313719\n-4.985081 7.061083 -0.016062\n-0.006416 0.009089 8.643498\nP Br Cl\n3 1 14\ndirect\n0.499999 0.248079 0.748079 P\n-0.000000 0.498087 0.498087 P\n0.500000 0.748079 0.248080 P\n0.000000 -0.002030 -0.002030 Br\n0.730915 0.520803 0.892466 Cl\n0.371663 0.892466 0.161550 Cl\n0.628336 0.789886 0.520803 Cl\n0.269084 0.161550 0.789886 Cl\n-0.000000 0.674915 0.674916 Cl\n0.269080 0.475357 0.103663 Cl\n0.730920 0.834582 0.206277 Cl\n0.628305 0.103663 0.834582 Cl\n0.663018 0.388249 0.270932 Cl\n0.882682 0.270932 0.607915 Cl\n0.117317 0.725231 0.388250 Cl\n0.336981 0.607915 0.725231 Cl\n-0.000000 0.321255 0.321256 Cl\n0.371694 0.206277 0.475357 Cl\n",
"nsites": 18,
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"volume": 456.75007489580616,
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{
"id": "jvasp-14536",
"created_at": "2022-09-04T14:38:06.261251Z",
"updated_at": "2022-09-04T14:38:06.261287Z",
"structure_string": "Y1 Hg1\n1.0\n3.702380 0.000000 0.000000\n0.000000 3.702380 0.000000\n-0.000000 0.000000 3.702380\nY Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Hg\n",
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{
"id": "jvasp-96598",
"created_at": "2022-09-04T14:36:03.477371Z",
"updated_at": "2022-09-04T14:36:03.477390Z",
"structure_string": "Rb6 Mg6 Cl18\n1.0\n7.072239 -0.000000 -0.000000\n-3.536119 6.124739 0.000000\n0.000000 0.000000 17.574925\nRb Mg Cl\n6 6 18\ndirect\n0.666667 0.333333 0.587339 Rb\n0.666667 0.333333 0.912661 Rb\n0.333333 0.666667 0.412661 Rb\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.333333 0.666667 0.087339 Rb\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.160697 Mg\n0.333333 0.666667 0.839302 Mg\n0.666667 0.333333 0.339302 Mg\n0.333333 0.666667 0.660697 Mg\n0.000000 0.000000 0.500000 Mg\n0.834000 0.667999 0.081876 Cl\n0.987592 0.493795 0.250000 Cl\n0.834000 0.667999 0.418124 Cl\n0.493795 0.987592 0.750000 Cl\n0.667999 0.834000 0.581876 Cl\n0.166000 0.834000 0.918124 Cl\n0.166000 0.332001 0.918124 Cl\n0.166000 0.834000 0.581876 Cl\n0.332001 0.166000 0.418124 Cl\n0.332001 0.166000 0.081876 Cl\n0.834000 0.166000 0.081876 Cl\n0.667999 0.834000 0.918124 Cl\n0.506205 0.493795 0.250000 Cl\n0.493795 0.506205 0.750000 Cl\n0.506205 0.012409 0.250000 Cl\n0.834000 0.166000 0.418124 Cl\n0.166000 0.332001 0.581876 Cl\n0.012409 0.506205 0.750000 Cl\n",
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"formula_full": "Rb6 Mg6 Cl18",
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{
"id": "jvasp-216",
"created_at": "2022-09-04T14:37:27.213927Z",
"updated_at": "2022-09-04T14:37:27.213952Z",
"structure_string": "Hf1 Se2\n1.0\n1.880250 -3.256688 -0.000000\n1.880250 3.256688 0.000000\n0.000000 -0.000000 6.216236\nHf Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.666667 0.333333 0.252479 Se\n0.333333 0.666667 0.747521 Se\n",
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"formula_full": "Hf1 Se2",
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"formula_anonymous": "AB2",
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},
{
"id": "jvasp-21722",
"created_at": "2022-09-04T14:38:32.802285Z",
"updated_at": "2022-09-04T14:38:32.802300Z",
"structure_string": "Lu7 Te2 Pd2\n1.0\n3.781138 -0.000000 0.820982\n1.041953 8.044460 4.318902\n-0.015624 0.031226 9.189706\nLu Te Pd\n7 2 2\ndirect\n0.683095 0.943784 0.690026 Lu\n0.316906 0.309974 0.056216 Lu\n-0.000001 0.999461 0.000539 Lu\n0.131849 0.285280 0.451022 Lu\n0.868151 0.548978 0.714720 Lu\n0.355644 0.911906 0.376808 Lu\n0.644356 0.623192 0.088094 Lu\n1.000000 0.660700 0.339300 Te\n0.500001 0.267412 0.732589 Te\n0.236375 0.694982 0.832267 Pd\n0.763625 0.167733 0.305018 Pd\n",
"nsites": 11,
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],
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"formula_full": "Lu7 Te2 Pd2",
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{
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"created_at": "2022-09-04T14:36:11.315697Z",
"updated_at": "2022-09-04T14:36:11.315731Z",
"structure_string": "Au4 Cl8\n1.0\n6.768245 0.157767 -0.024385\n0.626987 6.678119 0.057981\n2.230808 0.196529 6.745722\nAu Cl\n4 8\ndirect\n0.735979 0.516600 0.468807 Au\n0.264023 0.483401 0.531192 Au\n0.638224 0.234168 0.088535 Au\n0.361778 0.765833 0.911463 Au\n0.851675 0.219316 0.299217 Cl\n0.148327 0.780685 0.700782 Cl\n0.343269 0.181252 0.371909 Cl\n0.656733 0.818748 0.628090 Cl\n0.427367 0.258457 0.885335 Cl\n0.572635 0.741543 0.114663 Cl\n0.925312 0.287709 0.817431 Cl\n0.074690 0.712291 0.182568 Cl\n",
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{
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"created_at": "2022-09-04T14:35:59.218080Z",
"updated_at": "2022-09-04T14:35:59.218112Z",
"structure_string": "Au4 Cl8\n1.0\n6.443764 0.130723 2.071744\n0.581389 6.674062 0.320643\n0.035978 0.118373 7.107896\nAu Cl\n4 8\ndirect\n0.735962 0.516637 0.468667 Au\n0.264038 0.483361 0.531332 Au\n0.638002 0.234164 0.088519 Au\n0.361998 0.765835 0.911480 Au\n0.851619 0.219356 0.298989 Cl\n0.148381 0.780643 0.701010 Cl\n0.343142 0.181190 0.371985 Cl\n0.656858 0.818808 0.628014 Cl\n0.427020 0.258417 0.885503 Cl\n0.572980 0.741582 0.114496 Cl\n0.925031 0.287692 0.817321 Cl\n0.074968 0.712307 0.182679 Cl\n",
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{
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"created_at": "2022-09-04T14:36:38.728720Z",
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"structure_string": "Tb1 Bi1 Pd1\n1.0\n4.120187 0.000000 2.378791\n1.373396 3.884550 2.378791\n0.000000 0.000000 4.757583\nTb Bi Pd\n1 1 1\ndirect\n0.500001 0.500000 0.499999 Tb\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 Pd\n",
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{
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"created_at": "2022-09-04T14:38:14.758273Z",
"updated_at": "2022-09-04T14:38:14.758295Z",
"structure_string": "Cu2 Sn1 Hg1 Se4\n1.0\n5.390379 0.000000 -2.450882\n-1.114360 5.273934 -2.450882\n-0.002946 -0.003632 7.146662\nCu Sn Hg Se\n2 1 1 4\ndirect\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Hg\n0.399225 0.399225 0.285162 Se\n0.885937 0.885936 0.285162 Se\n0.114063 0.600775 0.714838 Se\n0.600774 0.114064 0.714838 Se\n",
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{
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"structure_string": "Ce4 Cd2 Se8\n1.0\n7.730375 0.162968 -0.000000\n-2.423143 7.342589 -0.000000\n-2.653615 -3.752778 6.217734\nCe Cd Se\n4 2 8\ndirect\n0.113977 0.750000 0.863977 Ce\n0.250000 0.613978 0.363978 Ce\n0.386021 0.250000 0.636022 Ce\n0.750000 0.886022 0.136022 Ce\n0.625000 0.375000 0.250000 Cd\n0.874999 0.125000 0.749999 Cd\n0.007441 0.876248 0.510578 Se\n0.996862 0.365670 0.489422 Se\n0.492558 0.003136 0.868806 Se\n0.123752 0.134330 0.131193 Se\n0.376248 0.507441 0.010578 Se\n0.634329 0.623752 0.631193 Se\n0.503137 0.992559 0.368806 Se\n0.865669 0.496863 0.989421 Se\n",
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"formula_full": "Ce4 Cd2 Se8",
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"spacegroup": 122
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]
}