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{
"id": "jvasp-36559",
"created_at": "2022-09-04T14:37:29.285897Z",
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"structure_string": "Cr2 N4\n1.0\n2.974337 3.251605 0.000000\n-3.700221 3.384698 0.000000\n0.362942 -3.318152 3.886177\nCr N\n2 4\ndirect\n0.000000 0.750000 -0.000000 Cr\n0.000000 0.250000 -0.000000 Cr\n0.913013 0.611036 0.222070 N\n0.086989 0.388965 0.777931 N\n0.309060 0.111036 0.222070 N\n0.690942 0.888966 0.777931 N\n",
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{
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"structure_string": "Cr2 Mo2 As4\n1.0\n3.338172 -0.000000 0.000000\n0.000000 5.903747 0.000000\n-0.000000 0.000000 6.284675\nCr Mo As\n2 2 4\ndirect\n-0.000000 0.512638 0.433029 Cr\n-0.000000 0.012638 0.566972 Cr\n0.500000 0.491271 0.063395 Mo\n0.500000 0.991271 0.936605 Mo\n0.500000 0.305848 0.664556 As\n0.500000 0.805848 0.335444 As\n-0.000000 0.690245 0.806233 As\n-0.000000 0.190245 0.193768 As\n",
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{
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"structure_string": "Cr2 Ir6\n1.0\n5.448877 -0.000000 0.000000\n-2.724439 4.718866 0.000000\n0.000000 -0.000000 4.314796\nCr Ir\n2 6\ndirect\n0.333334 0.666667 0.750001 Cr\n0.666667 0.333334 0.250000 Cr\n0.169366 0.338731 0.250000 Ir\n0.661270 0.830635 0.250000 Ir\n0.169366 0.830635 0.250000 Ir\n0.830635 0.661270 0.750001 Ir\n0.338731 0.169366 0.750001 Ir\n0.830635 0.169366 0.750001 Ir\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.07210826897442879,
"volume": 110.9442802300105,
"volume_molar": 8.351525900775107,
"formula_full": "Cr2 Ir6",
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{
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"created_at": "2022-09-04T14:36:36.631213Z",
"updated_at": "2022-09-04T14:36:36.631235Z",
"structure_string": "Cr2 Ir2 C1\n1.0\n2.720102 0.001379 8.552477\n1.328441 2.373647 8.552477\n0.002350 0.001379 8.974620\nCr Ir C\n2 2 1\ndirect\n0.377035 0.377037 0.377037 Cr\n0.622962 0.622965 0.622964 Cr\n0.878500 0.878504 0.878503 Ir\n0.121497 0.121498 0.121498 Ir\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
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"elements": [
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"volume": 57.864657571793664,
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"formula_full": "Cr2 Ir2 C1",
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"spacegroup": 166
},
{
"id": "jvasp-53170",
"created_at": "2022-09-04T14:36:38.726624Z",
"updated_at": "2022-09-04T14:36:38.726640Z",
"structure_string": "Cr2 In4 S8\n1.0\n6.577848 -0.145224 3.724928\n2.055698 6.250062 3.724928\n0.000000 0.000000 7.449858\nCr In S\n2 4 8\ndirect\n0.625000 0.625000 0.125000 Cr\n0.625000 0.625000 0.625000 Cr\n0.014067 0.014067 0.985933 In\n0.235933 0.235933 0.264067 In\n0.125000 0.625000 0.625000 In\n0.625000 0.125000 0.625000 In\n0.393865 0.393865 0.367766 S\n0.393865 0.393865 0.844505 S\n0.416966 0.827334 0.377851 S\n0.827334 0.416966 0.377851 S\n0.422666 0.833034 0.872150 S\n0.833034 0.422666 0.872150 S\n0.856135 0.856135 0.405495 S\n0.856135 0.856135 0.882235 S\n",
"nsites": 14,
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"elements": [
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"density": 4.412555995130396,
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"volume": 308.5023038310928,
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"formula_full": "Cr2 In4 S8",
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{
"id": "jvasp-104834",
"created_at": "2022-09-04T14:37:11.284016Z",
"updated_at": "2022-09-04T14:37:11.284038Z",
"structure_string": "Cr2 I4\n1.0\n4.082840 -0.000000 0.000000\n-2.041420 3.535843 0.000000\n-0.000000 -0.000000 13.345664\nCr I\n2 4\ndirect\n0.666666 0.333333 0.620592 Cr\n0.333333 0.666666 0.120592 Cr\n0.000000 0.000000 0.498400 I\n0.000000 0.000000 -0.001600 I\n0.333333 0.666666 0.742007 I\n0.666666 0.333333 0.242008 I\n",
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"elements": [
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"density": 5.27142717840088,
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"volume": 192.66175876007082,
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"formula_full": "Cr2 I4",
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{
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"created_at": "2022-09-04T14:38:06.955423Z",
"updated_at": "2022-09-04T14:38:06.955448Z",
"structure_string": "Cr2 I4\n1.0\n3.866094 0.000000 0.000000\n-1.933048 3.348486 0.000000\n0.000000 0.000000 13.175547\nCr I\n2 4\ndirect\n0.666519 0.333040 0.620492 Cr\n0.333479 0.666961 0.120492 Cr\n-0.000143 -0.000286 0.502571 I\n0.000143 0.000286 0.002570 I\n0.333184 0.666369 0.737938 I\n0.666815 0.333632 0.237938 I\n",
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"volume": 170.56485574600032,
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"formula_full": "Cr2 I4",
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{
"id": "jvasp-12236",
"created_at": "2022-09-04T14:38:10.040056Z",
"updated_at": "2022-09-04T14:38:10.040072Z",
"structure_string": "Cr2 Hg2 O8\n1.0\n5.279238 0.098812 0.000000\n-2.161125 4.817640 -0.000000\n-0.000000 0.000000 7.139287\nCr Hg O\n2 2 8\ndirect\n0.631696 0.368305 0.250000 Cr\n0.368306 0.631695 0.750000 Cr\n0.000000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.718712 0.761134 0.750000 O\n0.281289 0.238865 0.250000 O\n0.761136 0.718711 0.250000 O\n0.238866 0.281288 0.750000 O\n0.263381 0.736619 0.939048 O\n0.736620 0.263380 0.439048 O\n0.736620 0.263380 0.060952 O\n0.263381 0.736619 0.560953 O\n",
"nsites": 12,
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"elements": [
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"density": 5.742169480981419,
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"formula_full": "Cr2 Hg2 O8",
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"spacegroup": 63
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{
"id": "jvasp-106859",
"created_at": "2022-09-04T14:36:57.044103Z",
"updated_at": "2022-09-04T14:36:57.044112Z",
"structure_string": "Cr2 Hg1 S4\n1.0\n8.207345 -0.165616 0.776068\n7.704049 2.834707 0.776068\n-0.424652 -0.071234 5.520727\nCr Hg S\n2 1 4\ndirect\n0.755063 0.755062 0.197579 Cr\n0.244937 0.244939 0.802423 Cr\n0.500000 0.500001 0.500001 Hg\n0.350117 0.350117 0.065940 S\n0.649883 0.649884 0.934061 S\n0.823638 0.823638 0.571456 S\n0.176362 0.176363 0.428545 S\n",
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{
"id": "jvasp-91443",
"created_at": "2022-09-04T14:35:55.484685Z",
"updated_at": "2022-09-04T14:35:55.484714Z",
"structure_string": "Cr2 Hg10 S4 O10\n1.0\n6.997311 -0.090348 1.190284\n2.761220 7.781214 0.961021\n0.039141 -0.051124 9.441239\nCr Hg S O\n2 10 4 10\ndirect\n0.411399 0.626473 0.703428 Cr\n0.588601 0.373527 0.296571 Cr\n0.856510 0.436388 0.914684 Hg\n0.143490 0.563612 0.085316 Hg\n0.624153 0.718549 0.029789 Hg\n0.375847 0.281451 0.970211 Hg\n0.000000 0.000000 0.000000 Hg\n-0.000000 0.500000 0.500000 Hg\n0.197125 0.824971 0.352220 Hg\n0.802875 0.175028 0.647780 Hg\n0.670595 0.887588 0.351921 Hg\n0.329405 0.112411 0.648079 Hg\n0.095200 0.199516 0.473925 S\n0.904800 0.800484 0.526075 S\n0.421175 0.954799 0.191153 S\n0.578824 0.045201 0.808847 S\n0.393746 0.779821 0.570075 O\n0.259324 0.515804 0.695030 O\n0.740676 0.484196 0.304969 O\n0.651601 0.491162 0.692855 O\n0.348398 0.508838 0.307144 O\n0.350153 0.718312 0.860877 O\n0.649846 0.281687 0.139123 O\n0.022742 0.183046 0.842978 O\n0.977258 0.816954 0.157021 O\n0.606254 0.220178 0.429925 O\n",
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"formula_full": "Cr2 Hg10 S4 O10",
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"spacegroup": 2
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{
"id": "jvasp-106390",
"created_at": "2022-09-04T14:38:39.430662Z",
"updated_at": "2022-09-04T14:38:39.430671Z",
"structure_string": "Cr2 H2 O4\n1.0\n2.989698 0.000000 0.000000\n0.000000 4.343468 0.000000\n0.000000 0.000000 4.887952\nCr H O\n2 2 4\ndirect\n0.500001 0.265355 0.484880 Cr\n0.000000 0.734646 0.984881 Cr\n0.500001 0.204322 0.967048 H\n0.000000 0.795678 0.467047 H\n0.000000 0.511129 0.632034 O\n0.500001 0.488872 0.132033 O\n0.500001 0.010262 0.838936 O\n0.000000 0.989739 0.338937 O\n",
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"formula_full": "Cr2 H2 O4",
"formula_reduced": "CrHO2",
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"spacegroup": 31
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{
"id": "jvasp-8639",
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"structure_string": "Cr2 H2 O4\n1.0\n2.989679 0.000000 0.000000\n0.000000 4.343518 0.000000\n0.000000 0.000000 4.887957\nCr H O\n2 2 4\ndirect\n0.500000 0.265355 0.484882 Cr\n0.000000 0.734645 0.984882 Cr\n0.500000 0.204312 0.967052 H\n0.000000 0.795688 0.467051 H\n0.000000 0.511129 0.632034 O\n0.500000 0.488871 0.132034 O\n0.500000 0.010265 0.838934 O\n0.000000 0.989735 0.338933 O\n",
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}
]
}