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{
"id": "jvasp-161",
"created_at": "2022-09-04T14:36:09.642135Z",
"updated_at": "2022-09-04T14:36:09.642161Z",
"structure_string": "Pb1 I2\n1.0\n4.400231 0.024530 6.163910\n1.992219 3.923482 6.163910\n0.039717 0.024530 7.573259\nPb I\n1 2\ndirect\n0.000000 0.000000 0.000000 Pb\n0.755806 0.755805 0.755805 I\n0.244195 0.244195 0.244195 I\n",
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{
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"structure_string": "In2 Ge2 Cl6\n1.0\n6.388760 -0.203297 3.271467\n1.911667 6.099435 3.271467\n-0.286197 -0.203297 7.171948\nIn Ge Cl\n2 2 6\ndirect\n0.264665 0.264665 0.264666 In\n0.764665 0.764664 0.764665 In\n0.002011 0.002011 0.002009 Ge\n0.502011 0.502010 0.502013 Ge\n0.206607 0.864061 0.691156 Cl\n0.864063 0.691156 0.206607 Cl\n0.691156 0.206605 0.864063 Cl\n0.191157 0.364060 0.706606 Cl\n0.706607 0.191157 0.364063 Cl\n0.364063 0.706605 0.191157 Cl\n",
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{
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"structure_string": "Be1 Cu1 Hg2\n1.0\n2.953218 0.000000 0.000000\n0.000000 2.953218 -0.000000\n-0.000000 0.000000 7.848336\nBe Cu Hg\n1 1 2\ndirect\n0.000000 -0.000000 0.559443 Be\n0.500000 0.500000 0.683380 Cu\n0.000000 -0.000000 0.953165 Hg\n0.500000 0.500000 0.304013 Hg\n",
"nsites": 4,
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{
"id": "jvasp-107959",
"created_at": "2022-09-04T14:36:08.367376Z",
"updated_at": "2022-09-04T14:36:08.367406Z",
"structure_string": "Na3 Ca1\n1.0\n5.302777 -0.000000 0.000000\n0.000000 5.302777 0.000000\n0.000000 0.000000 5.302777\nNa Ca\n3 1\ndirect\n-0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 -0.000000 Na\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
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"volume": 149.11114042790655,
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{
"id": "jvasp-12754",
"created_at": "2022-09-04T14:38:16.618971Z",
"updated_at": "2022-09-04T14:38:16.618992Z",
"structure_string": "Sn4 Cl4 F4\n1.0\n4.325292 -0.000000 0.000000\n0.000000 6.266251 0.000000\n0.000000 0.000000 9.874119\nSn Cl F\n4 4 4\ndirect\n0.750000 0.782397 0.089077 Sn\n0.250000 0.217603 0.910923 Sn\n0.750000 0.282397 0.410923 Sn\n0.250000 0.717603 0.589077 Sn\n0.750000 0.592931 0.853706 Cl\n0.250000 0.407069 0.146294 Cl\n0.750000 0.092931 0.646294 Cl\n0.250000 0.907069 0.353706 Cl\n0.750000 0.610467 0.513108 F\n0.250000 0.389532 0.486892 F\n0.750000 0.110468 0.986892 F\n0.250000 0.889532 0.013108 F\n",
"nsites": 12,
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"volume": 267.6218544730363,
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"formula_full": "Sn4 Cl4 F4",
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{
"id": "jvasp-101077",
"created_at": "2022-09-04T14:36:30.736437Z",
"updated_at": "2022-09-04T14:36:30.736457Z",
"structure_string": "Zn1 Cu1\n1.0\n2.641112 0.403288 0.000000\n-0.519868 2.620659 0.000000\n-0.000000 0.000000 3.628881\nZn Cu\n1 1\ndirect\n0.499999 0.500001 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
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"elements": [
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{
"id": "jvasp-108768",
"created_at": "2022-09-04T14:38:28.198523Z",
"updated_at": "2022-09-04T14:38:28.198538Z",
"structure_string": "K1 Na4 Cl5\n1.0\n6.198670 0.000261 3.324887\n4.878707 3.823836 3.324887\n-0.015176 -0.005239 9.995992\nK Na Cl\n1 4 5\ndirect\n0.000000 0.000000 0.000000 K\n0.596682 0.596682 0.598662 Na\n0.201295 0.201295 0.207816 Na\n0.798705 0.798706 0.792184 Na\n0.403318 0.403318 0.401339 Na\n0.205630 0.205631 0.685696 Cl\n0.794369 0.794370 0.314305 Cl\n0.390124 0.390125 0.888249 Cl\n-0.000000 -0.000000 0.500000 Cl\n0.609875 0.609876 0.111751 Cl\n",
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"formula_full": "K1 Na4 Cl5",
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"spacegroup": 12
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{
"id": "jvasp-101570",
"created_at": "2022-09-04T14:36:45.388936Z",
"updated_at": "2022-09-04T14:36:45.388968Z",
"structure_string": "K3 Ca1\n1.0\n6.227331 -0.000000 0.000000\n0.000000 6.227331 0.000000\n0.000000 0.000000 6.227331\nK Ca\n3 1\ndirect\n-0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 -0.000000 K\n0.000000 0.000000 0.000000 Ca\n",
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"spacegroup": 221
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{
"id": "jvasp-22597",
"created_at": "2022-09-04T14:35:58.128675Z",
"updated_at": "2022-09-04T14:35:58.128718Z",
"structure_string": "Cs2 Ni2 F6\n1.0\n6.195165 0.000000 -0.000000\n-3.097583 5.365170 0.000000\n-0.000000 0.000000 5.226363\nCs Ni F\n2 2 6\ndirect\n0.333334 0.666667 0.750000 Cs\n0.666668 0.333333 0.250000 Cs\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.709853 0.854926 0.250000 F\n0.854927 0.709852 0.750000 F\n0.145074 0.290148 0.250000 F\n0.854927 0.145074 0.750000 F\n0.290148 0.145074 0.750000 F\n0.145074 0.854926 0.250000 F\n",
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"volume": 173.71444607950463,
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{
"id": "jvasp-95602",
"created_at": "2022-09-04T14:36:19.912701Z",
"updated_at": "2022-09-04T14:36:19.912721Z",
"structure_string": "K4 Sn2 Br12\n1.0\n5.117739 5.119276 -0.000071\n-5.119177 5.118194 0.000020\n0.000104 0.000063 11.060405\nK Sn Br\n4 2 12\ndirect\n0.500075 0.499926 -0.000011 K\n0.000012 0.000015 0.000001 K\n0.500012 0.499975 0.499993 K\n-0.000013 0.000034 0.500020 K\n0.499969 -0.000041 0.249972 Sn\n0.000012 0.500047 0.750026 Sn\n0.198775 0.805623 0.750004 Br\n0.801234 0.194478 0.750048 Br\n0.694414 0.698810 0.750015 Br\n0.301189 0.305551 0.249962 Br\n0.305613 0.301269 0.750017 Br\n0.499971 0.999932 0.008881 Br\n0.000037 0.500055 0.991121 Br\n0.805554 0.198736 0.249964 Br\n0.000006 0.500011 0.508927 Br\n0.499996 0.999992 0.491070 Br\n0.698755 0.694377 0.249983 Br\n0.194383 0.801213 0.250005 Br\n",
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{
"id": "jvasp-54873",
"created_at": "2022-09-04T14:37:53.975019Z",
"updated_at": "2022-09-04T14:37:53.975041Z",
"structure_string": "Tl1 I1\n1.0\n4.285232 -0.000000 2.474081\n1.428411 4.040156 2.474081\n-0.000000 -0.000000 4.948159\nTl I\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.499999 0.500001 0.500000 I\n",
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{
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"structure_string": "Li2\n1.0\n1.515539 -2.624991 -0.000000\n1.515539 2.624991 0.000000\n0.000000 0.000000 4.954368\nLi\n2\ndirect\n0.333334 0.666667 0.750000 Li\n0.666667 0.333334 0.250000 Li\n",
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