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{
"id": "jvasp-33830",
"created_at": "2022-09-04T14:38:06.207491Z",
"updated_at": "2022-09-04T14:38:06.207508Z",
"structure_string": "Lu2 Br6\n1.0\n9.573194 -0.000000 0.000000\n-4.786597 8.290631 0.000000\n-0.000000 -0.000000 3.647041\nLu Br\n2 6\ndirect\n0.333333 0.666666 0.750001 Lu\n0.666668 0.333333 0.250000 Lu\n0.208396 0.416794 0.250000 Br\n0.583205 0.791603 0.250000 Br\n0.208397 0.791603 0.250000 Br\n0.791603 0.583207 0.750001 Br\n0.416793 0.208397 0.750001 Br\n0.791603 0.208397 0.750001 Br\n",
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{
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"structure_string": "In2 Sn2 Br6\n1.0\n-7.191397 0.000000 4.097403\n-4.762977 6.768970 -0.000000\n-6.835913 0.250135 -3.638234\nIn Sn Br\n2 2 6\ndirect\n0.277467 0.277467 0.167599 In\n0.777467 0.777468 0.667599 In\n0.009878 0.009878 -0.029634 Sn\n0.509878 0.509879 0.470366 Sn\n0.662408 0.871383 0.258844 Br\n0.207366 0.662406 0.258845 Br\n0.871382 0.207367 0.258845 Br\n0.707366 0.371383 0.758845 Br\n0.371382 0.162408 0.758845 Br\n0.162407 0.707365 0.758846 Br\n",
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{
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"structure_string": "Sr1 Mg1 Sn1\n1.0\n4.636914 0.000000 2.677123\n1.545637 4.371725 2.677123\n-0.000000 0.000000 5.354246\nSr Mg Sn\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.499999 0.500000 Sn\n",
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{
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"updated_at": "2022-09-04T14:36:09.968624Z",
"structure_string": "Ba4 Mo1 Pt1\n1.0\n-0.000000 4.770005 4.770005\n4.770005 0.000000 4.770005\n4.770005 4.770005 0.000000\nBa Mo Pt\n4 1 1\ndirect\n0.123009 0.625663 0.625663 Ba\n0.625663 0.625663 0.625663 Ba\n0.625663 0.123009 0.625663 Ba\n0.625663 0.625663 0.123009 Ba\n0.250000 0.250000 0.250000 Mo\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 6,
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"volume": 217.06334858771555,
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{
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"created_at": "2022-09-04T14:38:03.899002Z",
"updated_at": "2022-09-04T14:38:03.899025Z",
"structure_string": "Rb1 Pb1 Cl3\n1.0\n5.664502 0.002380 -0.047154\n-0.000118 5.625062 0.002507\n-0.063257 -0.004253 5.677446\nRb Pb Cl\n1 1 3\ndirect\n0.071050 0.000078 0.956454 Rb\n0.488605 0.500013 0.499134 Pb\n0.432687 0.000056 0.477250 Cl\n0.984488 0.500300 0.556283 Cl\n0.463168 0.499556 0.000886 Cl\n",
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{
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"created_at": "2022-09-04T14:36:18.959492Z",
"updated_at": "2022-09-04T14:36:18.959521Z",
"structure_string": "Ba4 Ir1 Cl1\n1.0\n-0.000000 4.769960 4.769960\n4.769960 -0.000000 4.769960\n4.769960 4.769960 -0.000000\nBa Ir Cl\n4 1 1\ndirect\n0.123150 0.625616 0.625616 Ba\n0.625616 0.625616 0.625616 Ba\n0.625616 0.123150 0.625616 Ba\n0.625616 0.625616 0.123150 Ba\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.250000 Cl\n",
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{
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"created_at": "2022-09-04T14:36:11.563877Z",
"updated_at": "2022-09-04T14:36:11.563904Z",
"structure_string": "Ba4 Hf1 Ta1\n1.0\n0.000000 4.769861 4.769861\n4.769861 -0.000000 4.769861\n4.769861 4.769861 0.000000\nBa Hf Ta\n4 1 1\ndirect\n0.124286 0.625238 0.625238 Ba\n0.625238 0.625238 0.625238 Ba\n0.625238 0.124286 0.625238 Ba\n0.625238 0.625238 0.124286 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Ta\n",
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{
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"created_at": "2022-09-04T14:36:01.075667Z",
"updated_at": "2022-09-04T14:36:01.075689Z",
"structure_string": "Ba2 Nb1 Tl1\n1.0\n-0.000000 4.166499 4.166499\n4.166499 -0.000000 4.166499\n4.166499 4.166499 0.000000\nBa Nb Tl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Tl\n",
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{
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"created_at": "2022-09-04T14:38:36.299997Z",
"updated_at": "2022-09-04T14:38:36.300014Z",
"structure_string": "K8 Sn4 Te12\n1.0\n8.091680 0.000000 -3.015519\n-0.000000 8.679865 0.000000\n-0.002391 0.000000 12.357730\nK Sn Te\n8 4 12\ndirect\n0.077757 0.000000 0.155515 K\n0.422243 0.500000 0.844485 K\n0.922243 0.000000 0.844485 K\n0.577757 0.500000 0.155515 K\n0.234601 0.000000 0.469201 K\n0.734601 0.500000 0.469201 K\n0.265400 0.500000 0.530799 K\n0.765400 0.000000 0.530799 K\n0.585332 0.000000 0.170666 Sn\n0.914668 0.500000 0.829334 Sn\n0.414668 0.000000 0.829334 Sn\n0.085332 0.500000 0.170666 Sn\n0.671527 0.828220 -0.000000 Te\n0.341765 0.309915 0.302903 Te\n0.538863 0.190085 0.697097 Te\n0.158235 0.809915 0.697097 Te\n0.961137 0.690085 0.302903 Te\n0.658235 0.690085 0.697097 Te\n0.461137 0.809915 0.302903 Te\n0.841765 0.190085 0.302903 Te\n0.038863 0.309915 0.697097 Te\n0.828473 0.328220 -0.000000 Te\n0.328473 0.171781 -0.000000 Te\n0.171527 0.671781 -0.000000 Te\n",
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{
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"created_at": "2022-09-04T14:38:51.728542Z",
"updated_at": "2022-09-04T14:38:51.728558Z",
"structure_string": "Mg1 Se1\n1.0\n4.292006 -0.000000 0.000000\n-2.146003 3.716986 -0.000000\n0.000000 -0.000000 4.533157\nMg Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333334 0.666667 0.000000 Se\n",
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{
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"created_at": "2022-09-04T14:36:59.605922Z",
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"structure_string": "Te2 Mo2 S2\n1.0\n3.367567 0.000000 0.000000\n-1.683783 2.916399 -0.000071\n0.000000 -0.000563 22.089879\nTe Mo S\n2 2 2\ndirect\n0.333381 0.666761 0.537788 Te\n0.333348 0.666696 0.366455 Te\n0.333304 0.666606 0.149674 Mo\n0.666698 0.333395 0.452247 Mo\n0.666625 0.333247 0.081285 S\n0.666651 0.333299 0.218156 S\n",
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{
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"created_at": "2022-09-04T14:38:54.511163Z",
"updated_at": "2022-09-04T14:38:54.511193Z",
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