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{
"id": "jvasp-114037",
"created_at": "2022-09-04T14:38:49.466120Z",
"updated_at": "2022-09-04T14:38:49.466139Z",
"structure_string": "Ba1 Cd1 Se1\n1.0\n0.000000 3.862119 3.862119\n3.862119 0.000000 3.862119\n3.862119 3.862119 -0.000000\nBa Cd Se\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Cd\n0.500001 0.500001 0.500001 Se\n",
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{
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"created_at": "2022-09-04T14:38:48.017856Z",
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"structure_string": "Ba1 Cd1 Se1\n1.0\n4.667050 0.000000 0.000000\n0.000000 4.667050 0.000000\n0.000000 -0.000000 8.886235\nBa Cd Se\n1 1 1\ndirect\n0.000000 0.000000 0.310333 Ba\n0.000000 0.000000 0.706312 Cd\n0.000000 0.000000 -0.005911 Se\n",
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{
"id": "jvasp-114036",
"created_at": "2022-09-04T14:38:47.003622Z",
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"structure_string": "Ba1 Cd1 Se2\n1.0\n4.412356 0.000000 -0.000000\n0.000000 4.412356 0.000000\n0.000000 0.000000 6.589758\nBa Cd Se\n1 1 2\ndirect\n0.500000 0.500000 0.513270 Ba\n0.000000 0.000000 0.044773 Cd\n0.000000 0.000000 0.451320 Se\n0.500000 0.500000 0.000637 Se\n",
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{
"id": "jvasp-69059",
"created_at": "2022-09-04T14:36:15.746089Z",
"updated_at": "2022-09-04T14:36:15.746110Z",
"structure_string": "Ba1 Cd1 Se4\n1.0\n-0.000000 4.282458 4.282458\n4.282458 0.000000 4.282458\n4.282458 4.282458 0.000000\nBa Cd Se\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Cd\n0.120600 0.626467 0.626467 Se\n0.626467 0.626467 0.626467 Se\n0.626467 0.120600 0.626467 Se\n0.626467 0.626467 0.120600 Se\n",
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"density": 5.97905120288404,
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"formula_full": "Ba1 Cd1 Se4",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-66506",
"created_at": "2022-09-04T14:36:11.377164Z",
"updated_at": "2022-09-04T14:36:11.377190Z",
"structure_string": "Ba1 Cd1 Sn1\n1.0\n0.000000 3.941528 3.941528\n3.941528 0.000000 3.941528\n3.941528 3.941528 -0.000000\nBa Cd Sn\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Sn\n",
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"density": 4.995758742174653,
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"formula_full": "Ba1 Cd1 Sn1",
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"spacegroup": 216
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{
"id": "jvasp-111104",
"created_at": "2022-09-04T14:38:37.183028Z",
"updated_at": "2022-09-04T14:38:37.183053Z",
"structure_string": "Ba2 Cd2 Sn2\n1.0\n5.085322 -0.006417 4.222804\n2.371141 4.498692 4.222804\n-0.011677 -0.007035 8.462472\nBa Cd Sn\n2 2 2\ndirect\n0.545569 0.545568 0.705000 Ba\n0.454430 0.454430 0.295000 Ba\n0.158370 0.158369 0.276883 Cd\n0.841630 0.841628 0.723117 Cd\n0.838171 0.838170 0.103312 Sn\n0.161829 0.161828 0.896688 Sn\n",
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{
"id": "jvasp-97982",
"created_at": "2022-09-04T14:36:19.516454Z",
"updated_at": "2022-09-04T14:36:19.516481Z",
"structure_string": "Ba8 Cd8 Sn8 S32\n1.0\n12.296289 0.017513 -3.431725\n-7.041403 10.080559 -3.431725\n-0.006221 -0.011954 12.849590\nBa Cd Sn S\n8 8 8 32\ndirect\n0.998622 0.998622 0.000001 Ba\n0.245033 0.242817 0.495044 Ba\n0.747773 0.749989 0.504957 Ba\n0.992817 0.495033 0.995044 Ba\n0.748622 0.248622 0.500000 Ba\n0.244700 0.744700 0.500000 Ba\n0.494700 0.494700 0.000000 Ba\n0.499989 0.997773 0.004957 Ba\n0.329707 0.978731 0.249516 Cd\n0.830192 0.979215 0.250485 Cd\n0.728731 0.579707 0.749516 Cd\n0.729215 0.080192 0.750485 Cd\n0.261189 0.485809 0.248329 Cd\n0.237481 0.012860 0.751672 Cd\n0.762860 0.487481 0.251672 Cd\n0.235810 0.511189 0.748329 Cd\n0.487056 0.763246 0.250972 Sn\n0.512275 0.236085 0.749029 Sn\n0.016634 0.652398 0.750296 Sn\n0.402398 0.266633 0.250295 Sn\n0.016338 0.152103 0.749705 Sn\n0.513247 0.737056 0.750972 Sn\n0.902103 0.266338 0.249705 Sn\n0.986085 0.762275 0.249030 Sn\n0.294819 0.052565 0.077493 S\n0.967326 0.225072 0.422507 S\n0.802565 0.544819 0.577494 S\n0.975072 0.217326 0.922507 S\n0.465233 0.222713 0.421889 S\n0.302015 0.041786 0.579078 S\n0.800824 0.043344 0.578111 S\n0.972714 0.715233 0.921890 S\n0.793344 0.050824 0.078111 S\n0.476559 0.215065 0.921638 S\n0.293427 0.554922 0.078363 S\n0.965065 0.726559 0.421638 S\n0.304922 0.543427 0.578363 S\n0.180126 0.765979 0.248500 S\n0.517479 0.931626 0.751501 S\n0.515979 0.430125 0.748500 S\n0.681626 0.767479 0.251501 S\n0.472938 0.712709 0.920923 S\n0.212848 0.273071 0.248572 S\n0.023072 0.462848 0.748573 S\n0.714275 0.274499 0.251428 S\n0.047091 0.468394 0.246998 S\n0.221397 0.800093 0.753003 S\n0.218394 0.297091 0.746998 S\n0.550093 0.471396 0.253003 S\n0.028978 0.965184 0.246840 S\n0.718344 0.782138 0.753161 S\n0.715184 0.278977 0.746840 S\n0.532138 0.968344 0.253161 S\n0.462709 0.722937 0.420923 S\n0.024500 0.964276 0.751428 S\n0.791786 0.552015 0.079078 S\n",
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"elements": [
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"density": 4.141285213826088,
"density_atomic": 0.035146568498011205,
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"formula_full": "Ba8 Cd8 Sn8 S32",
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"spacegroup": 43
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{
"id": "jvasp-66402",
"created_at": "2022-09-04T14:35:40.825833Z",
"updated_at": "2022-09-04T14:35:40.825872Z",
"structure_string": "Ba1 Cd1 Te1\n1.0\n0.000000 4.016276 4.016276\n4.016276 0.000000 4.016276\n4.016276 4.016276 0.000000\nBa Cd Te\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Cd\n0.500001 0.500001 0.500001 Te\n",
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{
"id": "jvasp-65741",
"created_at": "2022-09-04T14:36:18.037711Z",
"updated_at": "2022-09-04T14:36:18.037735Z",
"structure_string": "Ba1 Cd1 W2\n1.0\n4.205583 0.000000 0.000000\n0.000000 4.205583 0.000000\n0.000000 -0.000000 5.180686\nBa Cd W\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Cd\n0.000000 0.500000 0.000000 W\n0.500000 0.000000 0.000000 W\n",
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{
"id": "jvasp-65542",
"created_at": "2022-09-04T14:35:56.966325Z",
"updated_at": "2022-09-04T14:35:56.966344Z",
"structure_string": "Ba1 Cd1 W2\n1.0\n-2.108999 2.108999 5.158628\n2.108999 -2.108999 5.158628\n2.108999 2.108999 -5.158628\nBa Cd W\n1 1 2\ndirect\n0.250000 0.750000 0.500000 Ba\n0.750000 0.250000 0.500000 Cd\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.000000 W\n",
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{
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"created_at": "2022-09-04T14:38:12.656497Z",
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"structure_string": "Ba1 Ce1\n1.0\n0.000000 3.692923 0.003121\n6.463641 0.000000 0.000000\n0.000000 -1.843962 -3.200315\nBa Ce\n1 1\ndirect\n0.333354 0.500000 0.666799 Ba\n0.666646 0.000000 0.333200 Ce\n",
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{
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"created_at": "2022-09-04T14:38:30.391697Z",
"updated_at": "2022-09-04T14:38:30.391737Z",
"structure_string": "Ba2 Ce4 Mn2 S10\n1.0\n7.002324 -0.000000 -3.481688\n-1.731161 6.784956 -3.481688\n-0.015387 -0.019806 8.751387\nBa Ce Mn S\n2 4 2 10\ndirect\n0.250000 0.250000 0.500000 Ba\n0.749999 0.750000 0.500000 Ba\n0.342132 0.157868 -0.000000 Ce\n0.157868 0.657869 0.000000 Ce\n0.657868 0.842132 -0.000000 Ce\n0.842131 0.342131 1.000000 Ce\n0.250000 0.750000 0.500000 Mn\n0.749999 0.250000 0.500000 Mn\n0.500000 0.500000 -0.000000 S\n0.481936 0.981936 0.268141 S\n0.981935 0.786206 0.268141 S\n0.286205 0.481936 0.268141 S\n0.018064 0.213794 0.731859 S\n0.713794 0.518064 0.731858 S\n0.518064 0.018064 0.731858 S\n0.213794 0.713794 0.731859 S\n0.786205 0.286206 0.268141 S\n0.000000 0.000000 0.000000 S\n",
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