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{
"id": "jvasp-34502",
"created_at": "2022-09-04T14:37:20.047906Z",
"updated_at": "2022-09-04T14:37:20.047921Z",
"structure_string": "Si8 O16\n1.0\n4.514151 0.000000 0.000000\n0.000000 8.136700 0.000000\n0.000000 0.000000 9.564184\nSi O\n8 16\ndirect\n0.202063 0.168596 0.098619 Si\n0.702063 0.331404 0.598619 Si\n0.202063 0.831404 0.901380 Si\n0.297937 0.668596 0.598619 Si\n0.297937 0.331404 0.401381 Si\n0.797937 0.168596 0.901380 Si\n0.797937 0.831404 0.098619 Si\n0.702063 0.668596 0.401381 Si\n0.000000 0.000000 0.866063 O\n0.250000 0.750000 0.750000 O\n0.500000 0.788377 0.500000 O\n0.250000 0.250000 0.250000 O\n0.500000 0.500000 0.633936 O\n0.000000 0.711623 0.000000 O\n0.000000 0.650878 0.500000 O\n0.000000 0.349122 0.500000 O\n0.500000 0.849122 0.000000 O\n0.500000 0.500000 0.366063 O\n0.750000 0.750000 0.250000 O\n0.000000 0.288377 0.000000 O\n0.500000 0.150878 0.000000 O\n0.500000 0.211623 0.500000 O\n0.000000 0.000000 0.133937 O\n0.750000 0.250000 0.750000 O\n",
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{
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"structure_string": "Dy6 O9\n1.0\n3.499592 0.000000 -0.000000\n-1.749797 6.882031 -1.238474\n-0.000000 0.016254 8.638192\nDy O\n6 9\ndirect\n0.635079 0.270160 0.487128 Dy\n0.690619 0.381240 0.137354 Dy\n0.033016 0.066033 0.813230 Dy\n0.364919 0.729840 0.512872 Dy\n0.309379 0.618759 0.862646 Dy\n0.966982 0.933966 0.186770 Dy\n0.871955 0.743914 0.717382 O\n0.793965 0.587933 0.376030 O\n0.128043 0.256085 0.282619 O\n0.206033 0.412066 0.623970 O\n0.500000 -0.000000 0.000000 O\n0.471305 0.942614 0.343770 O\n0.528693 0.057386 0.656230 O\n0.174788 0.349577 0.969703 O\n0.825210 0.650422 0.030297 O\n",
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{
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"updated_at": "2022-09-04T14:37:20.066693Z",
"structure_string": "Li2 B2\n1.0\n1.999094 -3.462532 0.000000\n1.999094 3.462532 -0.000000\n-0.000000 -0.000000 3.100869\nLi B\n2 2\ndirect\n0.333332 0.666666 0.750000 Li\n0.666666 0.333332 0.250000 Li\n0.000000 0.000000 0.750000 B\n0.000000 0.000000 0.250000 B\n",
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{
"id": "jvasp-36542",
"created_at": "2022-09-04T14:37:20.068911Z",
"updated_at": "2022-09-04T14:37:20.068938Z",
"structure_string": "Zr2 C2\n1.0\n1.686715 -2.921477 -0.000000\n1.686715 2.921477 0.000000\n-0.000000 0.000000 5.328005\nZr C\n2 2\ndirect\n0.333334 0.666669 0.250000 Zr\n0.666669 0.333334 0.750001 Zr\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 4,
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{
"id": "jvasp-9642",
"created_at": "2022-09-04T14:37:20.087756Z",
"updated_at": "2022-09-04T14:37:20.087786Z",
"structure_string": "Sb4 O8\n1.0\n6.236846 -0.001082 0.000606\n3.119354 5.983345 -0.108060\n3.118154 1.889964 5.678671\nSb O\n4 8\ndirect\n0.499999 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n-0.000000 0.500000 -0.000000 Sb\n0.690051 0.294221 0.794237 O\n0.255916 0.301819 0.186345 O\n0.309948 0.705779 0.205763 O\n0.778515 0.705780 0.205759 O\n0.744082 0.698181 0.813655 O\n0.744067 0.313666 0.198199 O\n0.255932 0.686334 0.801801 O\n0.221484 0.294221 0.794241 O\n",
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"density": 4.790343401245907,
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"formula_full": "Sb4 O8",
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{
"id": "jvasp-36541",
"created_at": "2022-09-04T14:37:20.092540Z",
"updated_at": "2022-09-04T14:37:20.092563Z",
"structure_string": "Cr3 N2\n1.0\n1.971794 -1.971794 0.000000\n1.971794 1.971794 -0.000000\n-1.971794 0.000000 5.789683\nCr N\n3 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.649092 0.649092 0.298185 Cr\n0.350907 0.350907 0.701815 Cr\n0.831179 0.831179 0.662358 N\n0.168820 0.168820 0.337641 N\n",
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{
"id": "jvasp-38678",
"created_at": "2022-09-04T14:37:20.115282Z",
"updated_at": "2022-09-04T14:37:20.115318Z",
"structure_string": "Na1 Pd3\n1.0\n-2.003119 2.003119 4.006567\n2.003119 -2.003119 4.006567\n2.003119 2.003119 -4.006567\nNa Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.750001 0.250000 0.500000 Pd\n0.250000 0.750001 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n",
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"spacegroup": 139
},
{
"id": "jvasp-12448",
"created_at": "2022-09-04T14:37:20.121611Z",
"updated_at": "2022-09-04T14:37:20.121636Z",
"structure_string": "Ca8 Sn4\n1.0\n5.095738 0.000000 0.000000\n0.000000 7.703334 0.000000\n0.000000 0.000000 9.496933\nCa Sn\n8 4\ndirect\n0.750000 0.334518 0.072296 Ca\n0.250000 0.665481 0.927704 Ca\n0.750000 0.834518 0.427704 Ca\n0.250000 0.165481 0.572296 Ca\n0.750000 0.479295 0.691277 Ca\n0.250000 0.520705 0.308723 Ca\n0.750000 0.979294 0.808723 Ca\n0.250000 0.020705 0.191277 Ca\n0.750000 0.753025 0.104977 Sn\n0.250000 0.246975 0.895023 Sn\n0.750000 0.253025 0.395023 Sn\n0.250000 0.746974 0.604977 Sn\n",
"nsites": 12,
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"elements": [
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"density": 3.5432388922379,
"density_atomic": 0.03218933859393314,
"volume": 372.7942394647926,
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"formula_full": "Ca8 Sn4",
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"spacegroup": 62
},
{
"id": "jvasp-34153",
"created_at": "2022-09-04T14:37:20.129604Z",
"updated_at": "2022-09-04T14:37:20.129624Z",
"structure_string": "Tb6 Br7\n1.0\n3.693849 -0.000000 0.676512\n1.164623 9.735090 4.063714\n-0.042966 0.193085 10.657321\nTb Br\n6 7\ndirect\n0.128085 0.299782 0.444046 Tb\n0.871913 0.700217 0.555954 Tb\n0.319407 0.002075 0.359112 Tb\n0.680592 -0.002075 0.640888 Tb\n0.774362 0.300459 0.150816 Tb\n0.225636 0.699541 0.849183 Tb\n0.499999 0.500000 0.500000 Br\n0.048249 0.169783 0.733718 Br\n0.951750 0.830216 0.266282 Br\n0.163300 0.515318 0.158083 Br\n0.836699 0.484682 0.841917 Br\n0.397660 0.152451 0.052228 Br\n0.602339 0.847549 0.947771 Br\n",
"nsites": 13,
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"elements": [
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{
"id": "jvasp-57569",
"created_at": "2022-09-04T14:37:20.150671Z",
"updated_at": "2022-09-04T14:37:20.150693Z",
"structure_string": "Sb8 O16\n1.0\n4.876550 -0.000000 0.000000\n0.000000 5.575465 0.000000\n0.000000 0.000000 11.897489\nSb O\n8 16\ndirect\n0.217597 0.250000 0.500000 Sb\n0.250000 0.618543 0.250000 Sb\n0.282403 0.250000 0.000000 Sb\n0.750000 0.381456 0.750000 Sb\n0.782403 0.749999 0.500000 Sb\n0.250000 0.881455 0.750000 Sb\n0.717597 0.749999 0.000000 Sb\n0.750000 0.118544 0.250000 Sb\n0.996987 0.637222 0.813003 O\n0.420800 0.920414 0.904766 O\n0.579200 0.420414 0.904766 O\n0.996987 0.862777 0.186997 O\n0.496987 0.362777 0.313003 O\n0.920800 0.420414 0.595234 O\n0.003013 0.362777 0.186997 O\n0.420800 0.579585 0.095234 O\n0.079200 0.579585 0.404766 O\n0.503013 0.862777 0.313003 O\n0.496987 0.137222 0.686997 O\n0.503013 0.637222 0.686997 O\n0.003013 0.137222 0.813003 O\n0.920800 0.079586 0.404766 O\n0.579200 0.079586 0.095234 O\n0.079200 0.920414 0.595234 O\n",
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"volume": 323.4812311004383,
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{
"id": "jvasp-35783",
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"updated_at": "2022-09-04T14:37:20.157481Z",
"structure_string": "Sc1 Cu2\n1.0\n3.313647 -0.000000 0.000000\n-0.000000 3.313647 0.000000\n-1.656824 -1.656824 4.148924\nSc Cu\n1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.672063 0.672063 0.344123 Cu\n0.327939 0.327939 0.655876 Cu\n",
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{
"id": "jvasp-12449",
"created_at": "2022-09-04T14:37:20.137404Z",
"updated_at": "2022-09-04T14:37:20.137420Z",
"structure_string": "Co9 Se8\n1.0\n6.328406 0.000000 3.653707\n2.109468 5.966477 3.653707\n-0.000000 -0.000000 7.307413\nCo Se\n9 8\ndirect\n0.500000 0.500000 0.500000 Co\n0.123318 0.123318 0.630046 Co\n0.123318 0.630046 0.123318 Co\n0.630047 0.123318 0.123318 Co\n0.876682 0.876682 0.876682 Co\n0.369954 0.876682 0.876682 Co\n0.876682 0.876682 0.369954 Co\n0.123318 0.123318 0.123318 Co\n0.876682 0.369954 0.876681 Co\n0.264196 0.735804 0.264196 Se\n0.250000 0.250000 0.250000 Se\n0.750001 0.750000 0.750000 Se\n0.735804 0.264196 0.264196 Se\n0.735805 0.735804 0.264196 Se\n0.264196 0.264196 0.735804 Se\n0.735804 0.264196 0.735804 Se\n0.264196 0.735804 0.735804 Se\n",
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}
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}