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{
"id": "jvasp-58422",
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"updated_at": "2022-09-04T14:37:00.229597Z",
"structure_string": "Mn8 As6\n1.0\n3.531685 0.000000 0.000000\n-1.765843 6.333049 -1.450083\n0.000000 -0.141695 9.374795\nMn As\n8 6\ndirect\n0.218121 0.436241 0.165179 Mn\n0.781881 0.563759 0.834822 Mn\n0.344050 0.688097 0.550587 Mn\n0.655952 0.311902 0.449414 Mn\n0.432323 0.864642 0.288561 Mn\n0.567679 0.135358 0.711440 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.062869 0.125736 0.272991 As\n0.937133 0.874263 0.727009 As\n0.186837 0.373673 0.652950 As\n0.813165 0.626326 0.347050 As\n0.362879 0.725756 0.020965 As\n0.637123 0.274244 0.979036 As\n",
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{
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"structure_string": "Mn4 As4\n1.0\n3.439620 0.000000 0.000000\n0.000000 5.576962 0.000000\n0.000000 0.000000 6.030856\nMn As\n4 4\ndirect\n0.750000 0.996847 0.191139 Mn\n0.250000 0.003153 0.808861 Mn\n0.750000 0.496847 0.308861 Mn\n0.250000 0.503152 0.691140 Mn\n0.750000 0.799952 0.582708 As\n0.250000 0.200048 0.417293 As\n0.750000 0.299952 0.917293 As\n0.250000 0.700048 0.082707 As\n",
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},
{
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"created_at": "2022-09-04T14:36:18.678501Z",
"updated_at": "2022-09-04T14:36:18.678531Z",
"structure_string": "Mn4 As2\n1.0\n3.577746 0.000000 -0.000000\n-0.000000 3.577746 -0.000000\n0.000000 -0.000000 5.873075\nMn As\n4 2\ndirect\n0.750001 0.250000 0.000000 Mn\n0.250000 0.750001 0.000000 Mn\n0.750001 0.750001 0.311582 Mn\n0.250000 0.250000 0.688417 Mn\n0.750001 0.750001 0.716323 As\n0.250000 0.250000 0.283676 As\n",
"nsites": 6,
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},
{
"id": "jvasp-79503",
"created_at": "2022-09-04T14:37:18.271874Z",
"updated_at": "2022-09-04T14:37:18.271896Z",
"structure_string": "Mn2 As2\n1.0\n-1.827102 -3.164820 0.000000\n-1.827102 3.164820 -0.000000\n0.000000 -0.000000 -5.523097\nMn As\n2 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.666678 0.333320 0.750000 As\n0.333320 0.666678 0.250000 As\n",
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"formula_full": "Mn2 As2",
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"spacegroup": 194
},
{
"id": "jvasp-12965",
"created_at": "2022-09-04T14:37:12.037642Z",
"updated_at": "2022-09-04T14:37:12.037666Z",
"structure_string": "Mn6 As4\n1.0\n3.364679 -0.000039 0.925135\n1.528059 6.379667 1.023564\n-0.040438 0.064427 6.729845\nMn As\n6 4\ndirect\n0.693791 0.934449 0.677988 Mn\n0.306208 0.065552 0.322012 Mn\n0.604510 0.699890 0.091102 Mn\n0.395490 0.300111 0.908899 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.938501 0.775713 0.347282 As\n0.061498 0.224288 0.652719 As\n0.750348 0.321375 0.177925 As\n0.249651 0.678625 0.822075 As\n",
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"density": 7.228445129146432,
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"spacegroup": 12
},
{
"id": "jvasp-14332",
"created_at": "2022-09-04T14:38:10.995393Z",
"updated_at": "2022-09-04T14:38:10.995418Z",
"structure_string": "Mn6 As2\n1.0\n3.461756 -0.000000 -0.804980\n0.000000 3.560710 -0.000000\n0.001444 0.000000 7.852207\nMn As\n6 2\ndirect\n0.947239 0.250000 0.894478 Mn\n0.052760 0.750000 0.105522 Mn\n0.550758 0.250000 0.101514 Mn\n0.449242 0.750000 0.898486 Mn\n0.314936 0.250000 0.629872 Mn\n0.685064 0.750000 0.370129 Mn\n0.162606 0.250000 0.325214 As\n0.837394 0.750000 0.674787 As\n",
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"density": 8.225617281201842,
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"volume": 96.79287037517021,
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"formula_full": "Mn6 As2",
"formula_reduced": "Mn3As",
"formula_anonymous": "AB3",
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"spacegroup": 63
},
{
"id": "jvasp-14073",
"created_at": "2022-09-04T14:35:54.184368Z",
"updated_at": "2022-09-04T14:35:54.184391Z",
"structure_string": "Mn10 As8\n1.0\n3.535276 -0.000000 0.000000\n-1.767637 6.500089 -0.000000\n-0.000000 -0.000000 11.829403\nMn As\n10 8\ndirect\n0.021499 0.042998 0.290157 Mn\n0.216530 0.433061 0.178881 Mn\n0.555216 0.110432 0.125017 Mn\n0.444784 0.889568 0.625017 Mn\n0.633891 0.267782 0.517763 Mn\n0.783470 0.566940 0.678881 Mn\n0.831327 0.662651 0.374064 Mn\n0.168674 0.337349 0.874064 Mn\n0.978501 0.957002 0.790157 Mn\n0.366109 0.732218 0.017763 Mn\n0.604766 0.209529 0.734633 As\n0.004278 0.008555 0.995882 As\n0.995723 0.991445 0.495882 As\n0.273104 0.546209 0.526031 As\n0.726896 0.453791 0.026031 As\n0.346832 0.693666 0.806669 As\n0.653168 0.306334 0.306669 As\n0.395235 0.790471 0.234633 As\n",
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"elements": [
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"formula_full": "Mn10 As8",
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"formula_anonymous": "A4B5",
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"spacegroup": 36
},
{
"id": "jvasp-91857",
"created_at": "2022-09-04T14:35:49.363812Z",
"updated_at": "2022-09-04T14:35:49.363830Z",
"structure_string": "Mn4 As4\n1.0\n3.439430 -0.000507 -0.000216\n0.000820 5.576871 0.000158\n0.000378 -0.000278 6.031492\nMn As\n4 4\ndirect\n0.750002 0.003164 0.808835 Mn\n0.249999 0.996834 0.191166 Mn\n0.249999 0.496841 0.308838 Mn\n0.750002 0.503157 0.691161 Mn\n0.250002 0.799954 0.582683 As\n0.749999 0.700045 0.082684 As\n0.250002 0.299955 0.917316 As\n0.749999 0.200044 0.417316 As\n",
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"volume": 115.69160381392714,
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"formula_full": "Mn4 As4",
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"formula_anonymous": "AB",
"energy_above_hull": 2.078774495689655,
"spacegroup": 62
},
{
"id": "jvasp-36315",
"created_at": "2022-09-04T14:37:06.767363Z",
"updated_at": "2022-09-04T14:37:06.767385Z",
"structure_string": "Mn1 As1\n1.0\n2.809995 2.809995 -0.000000\n2.809995 0.000000 -2.809995\n0.000000 2.809995 -2.809995\nMn As\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.749999 0.749999 0.749999 As\n",
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"spacegroup": 216
},
{
"id": "jvasp-18910",
"created_at": "2022-09-04T14:36:54.794614Z",
"updated_at": "2022-09-04T14:36:54.794644Z",
"structure_string": "Mn2 As2\n1.0\n1.827156 -3.164726 -0.000000\n1.827156 3.164726 -0.000000\n0.000000 0.000000 5.523122\nMn As\n2 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.333334 0.666668 0.250000 As\n0.666668 0.333334 0.750000 As\n",
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{
"id": "jvasp-18620",
"created_at": "2022-09-04T14:35:53.945816Z",
"updated_at": "2022-09-04T14:35:53.945846Z",
"structure_string": "Mn2 Au5\n1.0\n3.884309 0.000000 -0.000000\n-1.942155 4.590713 -0.582905\n-0.000000 0.054299 6.658747\nMn Au\n2 5\ndirect\n0.576135 0.152268 0.718546 Mn\n0.423864 0.847731 0.281454 Mn\n0.863286 0.726574 0.566659 Au\n0.714138 0.428277 0.145935 Au\n0.285861 0.571723 0.854065 Au\n0.136713 0.273426 0.433341 Au\n0.000000 0.000000 0.000000 Au\n",
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"formula_full": "Mn2 Au5",
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"spacegroup": 12
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{
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"created_at": "2022-09-04T14:38:37.972823Z",
"updated_at": "2022-09-04T14:38:37.972839Z",
"structure_string": "Mn2 Au1\n1.0\n2.551623 0.000000 -0.926587\n-0.336477 2.529341 -0.926587\n0.616067 0.703450 5.673131\nMn Au\n2 1\ndirect\n0.692611 0.692612 0.385222 Mn\n0.307388 0.307388 0.614776 Mn\n0.000000 0.000000 0.000000 Au\n",
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