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{
"id": "jvasp-861",
"created_at": "2022-09-04T14:38:02.483174Z",
"updated_at": "2022-09-04T14:38:02.483196Z",
"structure_string": "Cr1\n1.0\n2.319094 -0.000001 -0.819924\n-1.159549 2.008394 -0.819924\n-0.000001 -0.000001 2.459772\nCr\n1\ndirect\n0.000000 0.000000 0.000000 Cr\n",
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{
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{
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"created_at": "2022-09-04T14:36:04.550253Z",
"updated_at": "2022-09-04T14:36:04.550278Z",
"structure_string": "Cr10 B6\n1.0\n-2.719074 2.719074 4.974006\n2.719074 -2.719074 4.974006\n2.719074 2.719074 -4.974006\nCr B\n10 6\ndirect\n0.025135 0.525134 0.843189 Cr\n0.681946 0.181946 0.156810 Cr\n0.181945 0.025135 0.499999 Cr\n0.525136 0.681946 0.499999 Cr\n0.474864 0.318054 0.499999 Cr\n0.818054 0.974864 0.499999 Cr\n0.318054 0.818053 0.843189 Cr\n0.974864 0.474865 0.156810 Cr\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cr\n0.750001 0.750001 0.000000 B\n0.250000 0.250000 0.000000 B\n0.382715 0.882714 0.265427 B\n0.617285 0.117286 0.734572 B\n0.117286 0.382714 0.499999 B\n0.882714 0.617286 0.499999 B\n",
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{
"id": "jvasp-87849",
"created_at": "2022-09-04T14:35:47.481664Z",
"updated_at": "2022-09-04T14:35:47.481692Z",
"structure_string": "Cr10 S12\n1.0\n6.006171 -0.000000 -0.000000\n-3.003085 5.201497 0.000000\n-0.000000 0.000000 11.248917\nCr S\n10 12\ndirect\n0.000000 0.000000 0.250000 Cr\n0.333333 0.666667 0.250000 Cr\n0.666667 0.333333 0.750000 Cr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.333333 0.666667 0.989827 Cr\n0.333333 0.666667 0.510174 Cr\n0.666667 0.333333 0.010173 Cr\n0.666667 0.333333 0.489827 Cr\n0.000000 0.000000 0.750000 Cr\n0.009674 0.337489 0.377490 S\n0.672186 0.662512 0.877490 S\n0.009674 0.672187 0.122510 S\n0.662511 0.990326 0.122510 S\n0.327813 0.337489 0.122510 S\n0.672187 0.009675 0.622510 S\n0.990325 0.662512 0.622510 S\n0.337489 0.327813 0.622510 S\n0.990325 0.327813 0.877490 S\n0.337489 0.009675 0.877490 S\n0.662511 0.672187 0.377490 S\n0.327813 0.990326 0.377490 S\n",
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"elements": [
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"density_atomic": 0.0626016706553058,
"volume": 351.4283208372394,
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"formula_full": "Cr10 S12",
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{
"id": "jvasp-95271",
"created_at": "2022-09-04T14:36:18.126377Z",
"updated_at": "2022-09-04T14:36:18.126402Z",
"structure_string": "Cr10 S16\n1.0\n0.000000 6.684612 0.000000\n-0.084250 0.000000 10.909731\n5.653279 -3.342306 -0.124827\nCr S\n10 16\ndirect\n0.000003 -0.000001 0.000005 Cr\n0.957536 0.247355 0.500863 Cr\n0.042463 0.752647 0.499135 Cr\n0.456671 0.752647 0.499135 Cr\n0.524472 0.234232 0.048946 Cr\n0.543326 0.247355 0.500863 Cr\n0.976994 0.257437 0.953991 Cr\n0.023004 0.742560 0.046008 Cr\n0.500000 0.500000 0.000001 Cr\n0.475526 0.765770 0.951053 Cr\n0.662887 0.627346 0.828750 S\n0.835597 0.878012 0.168726 S\n0.666872 0.121986 0.831273 S\n0.164400 0.121986 0.831273 S\n0.337108 0.372654 0.171249 S\n0.834141 0.372654 0.171249 S\n0.165860 0.627346 0.828750 S\n0.172494 0.608152 0.344988 S\n0.674581 0.102305 0.349163 S\n0.341395 0.348088 0.682792 S\n0.658607 0.651909 0.317214 S\n0.333129 0.878012 0.168726 S\n0.827506 0.391849 0.655014 S\n0.158362 0.144278 0.316723 S\n0.325417 0.897699 0.650837 S\n0.841639 0.855718 0.683280 S\n",
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"volume": 412.2081797784299,
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"formula_full": "Cr10 S16",
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{
"id": "jvasp-58365",
"created_at": "2022-09-04T14:36:42.737292Z",
"updated_at": "2022-09-04T14:36:42.737323Z",
"structure_string": "Cr10 Si6\n1.0\n4.321513 -0.000000 1.544881\n2.160756 6.429339 0.772440\n-0.003507 0.000000 6.826559\nCr Si\n10 6\ndirect\n0.250000 0.500000 0.500000 Cr\n0.750000 0.500000 0.500000 Cr\n0.076224 0.152833 0.694718 Cr\n0.770942 0.305282 0.152833 Cr\n0.229057 0.694718 0.847167 Cr\n0.923775 0.847167 0.305282 Cr\n0.270942 0.152833 0.305282 Cr\n0.729057 0.847167 0.694718 Cr\n0.423775 0.305282 0.847167 Cr\n0.576224 0.694718 0.152833 Cr\n0.250000 0.000000 0.000000 Si\n0.750000 0.000000 0.000000 Si\n0.167269 0.500000 0.165462 Si\n0.332731 0.834538 0.500000 Si\n0.667268 0.165462 0.500000 Si\n0.832730 0.500000 0.834538 Si\n",
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"elements": [
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"density": 6.026329764358705,
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"volume": 189.7071713698407,
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"formula_full": "Cr10 Si6",
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{
"id": "jvasp-23510",
"created_at": "2022-09-04T14:37:38.456117Z",
"updated_at": "2022-09-04T14:37:38.456145Z",
"structure_string": "Cr12 C8\n1.0\n2.797896 -0.000000 0.000000\n-0.000000 5.483296 0.000000\n0.000000 0.000000 11.452348\nCr C\n12 8\ndirect\n0.750001 0.014388 0.402917 Cr\n0.750001 0.367988 0.568660 Cr\n0.250000 0.632013 0.431340 Cr\n0.250000 0.132013 0.068660 Cr\n0.750001 0.686913 0.726208 Cr\n0.250000 0.313088 0.273793 Cr\n0.750001 0.867988 0.931340 Cr\n0.250000 0.813088 0.226207 Cr\n0.250000 0.485612 0.902917 Cr\n0.750001 0.514389 0.097083 Cr\n0.250000 0.985612 0.597083 Cr\n0.750001 0.186913 0.773793 Cr\n0.250000 0.259624 0.452148 C\n0.750001 0.597226 0.296149 C\n0.250000 0.402775 0.703851 C\n0.750001 0.097225 0.203851 C\n0.250000 0.902775 0.796149 C\n0.250000 0.759624 0.047852 C\n0.750001 0.240376 0.952148 C\n0.750001 0.740377 0.547852 C\n",
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"volume": 175.69839506541058,
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"formula_full": "Cr12 C8",
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{
"id": "jvasp-36555",
"created_at": "2022-09-04T14:37:28.871119Z",
"updated_at": "2022-09-04T14:37:28.871136Z",
"structure_string": "Cr12 N8\n1.0\n4.763773 0.000000 0.000000\n0.000000 5.158279 0.000000\n0.000000 0.000000 7.404823\nCr N\n12 8\ndirect\n0.384007 0.601840 0.833788 Cr\n0.430549 0.750000 0.500000 Cr\n0.069451 0.250000 0.000000 Cr\n0.930549 0.750000 0.000000 Cr\n0.615993 0.101840 0.833788 Cr\n0.884006 0.601840 0.666211 Cr\n0.569450 0.250000 0.500000 Cr\n0.615993 0.398160 0.166211 Cr\n0.384007 0.898160 0.166211 Cr\n0.115993 0.398160 0.333789 Cr\n0.115993 0.101840 0.666211 Cr\n0.884006 0.898160 0.333789 Cr\n0.751897 0.547128 0.392539 N\n0.251898 0.547128 0.107461 N\n0.248102 0.047128 0.392539 N\n0.248102 0.452872 0.607461 N\n0.251898 0.952872 0.892539 N\n0.748102 0.452872 0.892539 N\n0.751897 0.952872 0.607461 N\n0.748102 0.047128 0.107461 N\n",
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{
"id": "jvasp-30790",
"created_at": "2022-09-04T14:38:35.785728Z",
"updated_at": "2022-09-04T14:38:35.785751Z",
"structure_string": "Cr12 O28\n1.0\n5.284221 0.000000 0.000000\n0.000000 10.309131 0.000000\n-0.000000 0.000000 9.314880\nCr O\n12 28\ndirect\n0.249900 0.016686 0.312684 Cr\n0.750100 0.983314 0.687316 Cr\n0.250100 0.016686 0.812684 Cr\n0.249900 0.483314 0.312684 Cr\n0.250145 0.750000 0.703645 Cr\n0.750145 0.250000 0.796355 Cr\n0.749900 0.516686 0.187316 Cr\n0.249854 0.750000 0.203645 Cr\n0.250100 0.483314 0.812684 Cr\n0.750100 0.516686 0.687316 Cr\n0.749900 0.983314 0.187316 Cr\n0.749854 0.250000 0.296355 Cr\n0.749785 0.250000 0.467244 O\n0.020139 0.617160 0.761301 O\n0.250215 0.750000 0.532756 O\n0.750215 0.250000 0.967244 O\n0.249785 0.750000 0.032756 O\n0.249997 0.460813 0.480221 O\n0.750003 0.539186 0.519779 O\n0.749997 0.960814 0.019779 O\n0.249997 0.039187 0.480221 O\n0.749997 0.539186 0.019779 O\n0.520139 0.382840 0.738699 O\n0.250003 0.460813 0.980221 O\n0.979861 0.117160 0.238699 O\n0.480117 0.617166 0.761367 O\n0.979861 0.382840 0.238699 O\n0.479861 0.617160 0.261301 O\n0.020139 0.882840 0.761301 O\n0.520139 0.117160 0.738699 O\n0.250003 0.039187 0.980221 O\n0.980117 0.382834 0.738634 O\n0.519883 0.117166 0.238634 O\n0.019883 0.882834 0.261366 O\n0.519883 0.382834 0.238634 O\n0.019883 0.617166 0.261366 O\n0.480117 0.882834 0.761367 O\n0.980117 0.117166 0.738634 O\n0.479861 0.882840 0.261301 O\n0.750003 0.960814 0.519779 O\n",
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{
"id": "jvasp-1876",
"created_at": "2022-09-04T14:36:32.635125Z",
"updated_at": "2022-09-04T14:36:32.635156Z",
"structure_string": "Cr1 Ag1 O2\n1.0\n2.923496 0.001643 5.751079\n1.379137 2.577752 5.751079\n0.002742 0.001643 6.451491\nCr Ag O\n1 1 2\ndirect\n0.500002 0.499998 0.500000 Cr\n0.000000 0.000000 0.000000 Ag\n0.886640 0.886634 0.886638 O\n0.113363 0.113362 0.113363 O\n",
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"volume": 48.548908556815434,
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{
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"updated_at": "2022-09-04T14:37:13.250990Z",
"structure_string": "Cr1 Ag1 O2\n1.0\n-1.483588 2.569648 -0.000000\n-2.967174 -0.000000 0.000000\n-1.483588 0.856549 6.199288\nCr Ag O\n1 1 2\ndirect\n0.001513 0.001514 0.995460 Cr\n0.839289 0.839288 0.482134 Ag\n0.721288 0.721287 0.836139 O\n0.278912 0.278911 0.163267 O\n",
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"formula_full": "Cr1 Ag1 O2",
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},
{
"id": "jvasp-100661",
"created_at": "2022-09-04T14:36:38.847109Z",
"updated_at": "2022-09-04T14:36:38.847144Z",
"structure_string": "Cr1 Ag1 P2 Se6\n1.0\n6.311937 -0.000279 0.885427\n-3.344706 5.352897 0.885427\n0.037617 0.067858 7.031831\nCr Ag P Se\n1 1 2 6\ndirect\n0.332680 0.667320 0.000000 Cr\n0.667614 0.332386 0.000000 Ag\n0.052840 0.052365 0.834360 P\n0.947636 0.947161 0.165641 P\n0.118912 0.437141 0.748857 Se\n0.397439 0.040316 0.744630 Se\n0.959685 0.602562 0.255371 Se\n0.562859 0.881089 0.251144 Se\n0.721830 0.761494 0.748600 Se\n0.238507 0.278171 0.251401 Se\n",
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"elements": [
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"volume": 236.82045539540658,
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"formula_full": "Cr1 Ag1 P2 Se6",
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"formula_anonymous": "ABC2D6",
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}
]
}