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{
"id": "jvasp-105314",
"created_at": "2022-09-04T14:36:59.045501Z",
"updated_at": "2022-09-04T14:36:59.045531Z",
"structure_string": "Tm6 Fe1 Bi2\n1.0\n8.178200 0.000000 0.000000\n-4.089100 7.082529 0.000000\n0.000000 -0.000000 4.096625\nTm Fe Bi\n6 1 2\ndirect\n0.229154 -0.000000 0.499999 Tm\n0.000000 0.229154 0.499999 Tm\n0.770846 0.770846 0.499999 Tm\n0.614889 -0.000000 -0.000000 Tm\n0.000000 0.614889 -0.000000 Tm\n0.385111 0.385111 -0.000000 Tm\n0.000000 0.000000 0.000000 Fe\n0.333333 0.666667 0.499999 Bi\n0.666667 0.333333 0.499999 Bi\n",
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{
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"structure_string": "Li4 Cu2 F12\n1.0\n4.581849 -0.012990 0.000017\n-0.012990 4.581982 0.000059\n0.000032 0.000115 8.826162\nLi Cu F\n4 2 12\ndirect\n0.000007 0.999998 0.337553 Li\n-0.000008 0.000002 0.662447 Li\n0.499988 0.500008 0.165143 Li\n0.500012 0.499993 0.834857 Li\n0.000002 0.000000 0.000001 Cu\n0.499999 0.500000 0.499999 Cu\n0.787525 0.212476 0.499997 F\n0.709210 0.709211 0.000001 F\n0.691744 0.691735 0.658204 F\n0.691740 0.691743 0.341795 F\n0.308259 0.308256 0.658206 F\n0.212475 0.787523 0.500003 F\n0.290790 0.290790 -0.000000 F\n0.810227 0.189763 0.155796 F\n0.189773 0.810238 0.844205 F\n0.189764 0.810232 0.155811 F\n0.308257 0.308266 0.341797 F\n0.810235 0.189771 0.844189 F\n",
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{
"id": "jvasp-12469",
"created_at": "2022-09-04T14:36:42.070286Z",
"updated_at": "2022-09-04T14:36:42.070315Z",
"structure_string": "K4 Te2 Br12\n1.0\n0.000000 7.390115 -0.028162\n7.725623 0.000000 0.000000\n0.000000 -7.306031 -10.522018\nK Te Br\n4 2 12\ndirect\n0.274765 0.074824 0.752038 K\n0.725235 0.574824 0.747962 K\n0.725235 0.925176 0.247962 K\n0.274765 0.425176 0.252037 K\n0.000000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.767541 0.202520 0.463773 Br\n0.232458 0.702520 0.036227 Br\n0.232458 0.797479 0.536227 Br\n0.767542 0.297479 0.963773 Br\n0.654849 0.698689 0.456874 Br\n0.654849 0.801310 0.956874 Br\n0.827675 0.993559 0.746131 Br\n0.345150 0.301310 0.543126 Br\n0.172325 0.493559 0.753869 Br\n0.827675 0.506441 0.246131 Br\n0.345150 0.198689 0.043126 Br\n0.172325 0.006441 0.253868 Br\n",
"nsites": 18,
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{
"id": "jvasp-100647",
"created_at": "2022-09-04T14:36:40.913884Z",
"updated_at": "2022-09-04T14:36:40.913912Z",
"structure_string": "Na1 Pr2 Cl6\n1.0\n7.926981 0.000000 0.000000\n-3.963491 6.864967 0.000000\n0.000000 0.000000 3.931630\nNa Pr Cl\n1 2 6\ndirect\n0.000000 0.000000 0.500000 Na\n0.666667 0.333333 0.748679 Pr\n0.333333 0.666667 0.251320 Pr\n0.076172 0.698763 0.750835 Cl\n0.301237 0.377408 0.750835 Cl\n0.622592 0.923829 0.750835 Cl\n0.923829 0.301237 0.249165 Cl\n0.698763 0.622592 0.249165 Cl\n0.377408 0.076171 0.249165 Cl\n",
"nsites": 9,
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"elements": [
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"formula_full": "Na1 Pr2 Cl6",
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{
"id": "jvasp-2709",
"created_at": "2022-09-04T14:36:58.998667Z",
"updated_at": "2022-09-04T14:36:58.998692Z",
"structure_string": "K2 Pd1 F6\n1.0\n2.870988 -4.972696 0.000000\n2.870988 4.972696 0.000000\n0.000000 0.000000 4.616396\nK Pd F\n2 1 6\ndirect\n0.333333 0.666668 0.717162 K\n0.666668 0.333333 0.282838 K\n0.000000 0.000000 0.000000 Pd\n0.836067 0.672134 0.771858 F\n0.327867 0.163934 0.771858 F\n0.836067 0.163934 0.771858 F\n0.163934 0.327867 0.228143 F\n0.672134 0.836067 0.228143 F\n0.163934 0.836067 0.228143 F\n",
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"volume": 131.8124216469889,
"volume_molar": 8.819921745273758,
"formula_full": "K2 Pd1 F6",
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{
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"created_at": "2022-09-04T14:36:58.886565Z",
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"structure_string": "Na2 Ce1 F6\n1.0\n5.955697 -0.000000 0.000000\n-2.977848 5.157786 0.000000\n0.000000 0.000000 3.713185\nNa Ce F\n2 1 6\ndirect\n0.333333 0.666668 0.455178 Na\n0.666667 0.333333 0.544823 Na\n0.000000 0.000000 0.000000 Ce\n0.251672 1.000001 0.500001 F\n1.000001 0.251672 0.500001 F\n0.748329 0.748329 0.500001 F\n0.627326 1.000001 0.000000 F\n1.000001 0.627326 0.000000 F\n0.372675 0.372675 0.000000 F\n",
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"volume": 114.06239885216661,
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{
"id": "jvasp-18333",
"created_at": "2022-09-04T14:38:04.800024Z",
"updated_at": "2022-09-04T14:38:04.800040Z",
"structure_string": "Er6 Mn1 Bi2\n1.0\n4.096807 -7.095876 0.000000\n4.096807 7.095876 -0.000000\n-0.000000 0.000000 4.198727\nEr Mn Bi\n6 1 2\ndirect\n0.231507 0.231507 0.000000 Er\n0.000000 0.388484 0.500000 Er\n0.388484 0.000000 0.500000 Er\n0.768494 0.000000 0.000000 Er\n0.000000 0.768494 0.000000 Er\n0.611517 0.611517 0.500000 Er\n0.000000 0.000000 0.500000 Mn\n0.333333 0.666667 0.000000 Bi\n0.666667 0.333333 0.000000 Bi\n",
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{
"id": "jvasp-12702",
"created_at": "2022-09-04T14:38:10.278936Z",
"updated_at": "2022-09-04T14:38:10.278955Z",
"structure_string": "Mn4 Ni2 O12\n1.0\n4.958963 -0.000682 -0.000000\n-2.492647 4.286960 -0.000000\n-0.000000 -0.000000 9.000084\nMn Ni O\n4 2 12\ndirect\n0.666527 0.333472 0.000000 Mn\n0.833473 0.166529 0.500000 Mn\n0.333472 0.666526 0.000000 Mn\n0.166529 0.833474 0.500000 Mn\n0.000000 0.000000 0.000000 Ni\n0.499999 0.499999 0.500000 Ni\n0.169692 0.500492 0.394167 O\n0.330724 0.330725 0.105603 O\n0.169276 0.169278 0.605603 O\n0.669692 0.000493 0.105833 O\n0.000492 0.669692 0.105833 O\n0.669277 0.669277 0.894395 O\n0.830723 0.830724 0.394397 O\n0.500491 0.169691 0.394167 O\n0.830308 0.499507 0.605832 O\n0.330308 -0.000492 0.894167 O\n-0.000493 0.330309 0.894167 O\n0.499506 0.830308 0.605832 O\n",
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{
"id": "jvasp-49898",
"created_at": "2022-09-04T14:38:16.041387Z",
"updated_at": "2022-09-04T14:38:16.041414Z",
"structure_string": "Sr2 Ca1 I6\n1.0\n8.042309 0.000000 0.000039\n-4.021155 6.964809 -0.000020\n0.000003 0.000000 7.048806\nSr Ca I\n2 1 6\ndirect\n0.333317 0.666668 0.500001 Sr\n0.666649 0.333332 0.500001 Sr\n-0.000012 -0.000000 0.000001 Ca\n0.999984 0.669895 0.761620 I\n0.999984 0.330093 0.238393 I\n0.330089 0.330105 0.761620 I\n0.669892 0.669907 0.238393 I\n0.330095 -0.000000 0.238374 I\n0.669903 -0.000000 0.761598 I\n",
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{
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"created_at": "2022-09-04T14:38:04.742978Z",
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"structure_string": "Mn4 Cr2 O12\n1.0\n4.983660 -0.001074 0.000000\n-2.505397 4.308115 -0.000000\n-0.000000 0.000000 9.058757\nMn Cr O\n4 2 12\ndirect\n0.166679 0.833319 0.500000 Mn\n0.333319 0.666680 0.000000 Mn\n0.666680 0.333320 0.000000 Mn\n0.833320 0.166681 0.500000 Mn\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.500285 0.165941 0.394291 O\n0.834531 0.834532 0.394173 O\n0.334059 -0.000285 0.894291 O\n0.665468 0.665468 0.894173 O\n0.334532 0.334532 0.105827 O\n0.165941 0.500284 0.394291 O\n0.499714 0.834058 0.605710 O\n0.834059 0.499715 0.605710 O\n-0.000285 0.334058 0.894291 O\n0.000284 0.665940 0.105709 O\n0.165468 0.165468 0.605827 O\n0.665942 0.000285 0.105709 O\n",
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{
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"created_at": "2022-09-04T14:38:07.565655Z",
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"structure_string": "Li4 V2 F12\n1.0\n4.612359 -0.000000 0.000000\n0.000000 4.612359 0.000000\n0.000000 0.000000 8.916611\nLi V F\n4 2 12\ndirect\n0.000000 0.000000 0.335480 Li\n0.000000 0.000000 0.664520 Li\n0.500000 0.500000 0.164520 Li\n0.500000 0.500000 0.835480 Li\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.784323 0.215677 0.500000 F\n0.715678 0.715678 0.000000 F\n0.695061 0.695061 0.654721 F\n0.695061 0.695061 0.345278 F\n0.304939 0.304939 0.654721 F\n0.215677 0.784323 0.500000 F\n0.284323 0.284323 0.000000 F\n0.804940 0.195061 0.845278 F\n0.195061 0.804940 0.845278 F\n0.195061 0.804940 0.154722 F\n0.304939 0.304939 0.345278 F\n0.804940 0.195061 0.154722 F\n",
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{
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"created_at": "2022-09-04T14:38:26.899383Z",
"updated_at": "2022-09-04T14:38:26.899406Z",
"structure_string": "Hg2 Cl4 O12\n1.0\n5.826647 0.000000 0.061830\n0.000000 5.105594 0.000000\n-1.933799 0.000000 9.471929\nHg Cl O\n2 4 12\ndirect\n0.986435 0.685792 0.184368 Hg\n0.013566 0.185792 0.815632 Hg\n0.291938 0.218520 0.574662 Cl\n0.637757 0.741312 0.849726 Cl\n0.362243 0.241312 0.150274 Cl\n0.708062 0.718520 0.425338 Cl\n0.821130 0.962858 0.936001 O\n0.760744 0.636004 0.742612 O\n0.462178 0.642473 0.381427 O\n0.366402 0.050077 0.037725 O\n0.633599 0.550078 0.962275 O\n0.178870 0.462859 0.063999 O\n0.239256 0.136004 0.257388 O\n0.768732 0.894979 0.294252 O\n0.231268 0.394979 0.705748 O\n0.137880 0.989357 0.573843 O\n0.537822 0.142473 0.618574 O\n0.862120 0.489357 0.426157 O\n",
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}