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{
"id": "jvasp-56635",
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"updated_at": "2022-09-04T14:37:36.050484Z",
"structure_string": "Na1 Fe1 Se2 O8\n1.0\n4.968414 -0.039948 0.160245\n1.918548 4.583221 0.160245\n-0.018049 -0.011907 7.047957\nNa Fe Se O\n1 1 2 8\ndirect\n0.000000 -0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Fe\n0.365592 0.365591 0.769963 Se\n0.634408 0.634407 0.230039 Se\n0.763067 0.267512 0.210722 O\n0.284398 0.284397 0.562280 O\n0.236933 0.732487 0.789280 O\n0.267513 0.763067 0.210722 O\n0.763079 0.763078 0.039044 O\n0.732487 0.236932 0.789280 O\n0.236921 0.236920 0.960958 O\n0.715602 0.715601 0.437722 O\n",
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{
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"structure_string": "Na2 Fe2 Si4 O12\n1.0\n5.132271 -0.001120 1.179336\n1.329405 6.249838 0.652616\n0.002101 -0.005046 6.422911\nNa Fe Si O\n2 2 4 12\ndirect\n0.249998 0.701097 0.298902 Na\n0.749999 0.298901 0.701098 Na\n0.250000 0.086150 0.913850 Fe\n0.749999 0.913850 0.086151 Fe\n0.271419 0.198723 0.387211 Si\n0.728581 0.801276 0.612789 Si\n0.771418 0.387211 0.198725 Si\n0.228582 0.612790 0.801275 Si\n0.132351 0.809612 0.969198 O\n0.367648 0.030803 0.190389 O\n0.497780 0.343127 0.367217 O\n0.693556 0.626652 0.096009 O\n0.806441 0.903992 0.373349 O\n0.306444 0.373346 0.903992 O\n0.193557 0.096008 0.626651 O\n0.997778 0.367217 0.343126 O\n0.502220 0.656875 0.632783 O\n0.002222 0.632781 0.656874 O\n0.867647 0.190388 0.030804 O\n0.632351 0.969197 0.809612 O\n",
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{
"id": "jvasp-109231",
"created_at": "2022-09-04T14:38:20.135762Z",
"updated_at": "2022-09-04T14:38:20.135788Z",
"structure_string": "Na2 Ga1 Ag1 Br6\n1.0\n6.516091 -0.000000 3.762067\n2.172030 6.143430 3.762067\n-0.000000 -0.000000 7.524134\nNa Ga Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.758977 0.241023 0.241023 Br\n0.241023 0.241023 0.758977 Br\n0.241023 0.758977 0.758977 Br\n0.241023 0.758977 0.241023 Br\n0.758977 0.241023 0.758977 Br\n0.758977 0.758977 0.241024 Br\n",
"nsites": 10,
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"density_atomic": 0.03320056110892213,
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{
"id": "jvasp-100471",
"created_at": "2022-09-04T14:36:33.240673Z",
"updated_at": "2022-09-04T14:36:33.240692Z",
"structure_string": "Na2 Ga1 Ag1 Cl6\n1.0\n6.136105 -0.000000 3.542682\n2.045369 5.785175 3.542682\n-0.000000 0.000000 7.085363\nNa Ga Ag Cl\n2 1 1 6\ndirect\n0.749999 0.750001 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.762456 0.237544 0.237543 Cl\n0.237543 0.237544 0.762456 Cl\n0.237543 0.762457 0.762456 Cl\n0.237543 0.762457 0.237543 Cl\n0.762456 0.237544 0.762456 Cl\n0.762456 0.762457 0.237543 Cl\n",
"nsites": 10,
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"volume": 251.51934214348321,
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"formula_full": "Na2 Ga1 Ag1 Cl6",
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{
"id": "jvasp-102861",
"created_at": "2022-09-04T14:36:32.892601Z",
"updated_at": "2022-09-04T14:36:32.892619Z",
"structure_string": "Na2 Ga1 Ag1 F6\n1.0\n5.197819 0.000000 3.000962\n1.732606 4.900551 3.000962\n0.000000 0.000000 6.001924\nNa Ga Ag F\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ga\n0.500001 0.500000 0.499999 Ag\n0.775270 0.224731 0.224730 F\n0.224731 0.224731 0.775269 F\n0.224731 0.775269 0.775268 F\n0.224731 0.775269 0.224730 F\n0.775270 0.224731 0.775268 F\n0.775270 0.775269 0.224730 F\n",
"nsites": 10,
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"density": 3.6664435924161753,
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"volume": 152.88207105835107,
"volume_molar": 9.206773515937124,
"formula_full": "Na2 Ga1 Ag1 F6",
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{
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"created_at": "2022-09-04T14:36:59.857690Z",
"updated_at": "2022-09-04T14:36:59.857717Z",
"structure_string": "Na2 Ga1 Ag1 I6\n1.0\n7.052909 -0.000000 4.071999\n2.350970 6.649546 4.071999\n-0.000000 -0.000000 8.143998\nNa Ga Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.754114 0.245886 0.245886 I\n0.245886 0.245886 0.754114 I\n0.245886 0.754114 0.754114 I\n0.245886 0.754114 0.245886 I\n0.754114 0.245886 0.754114 I\n0.754114 0.754114 0.245886 I\n",
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"density_atomic": 0.026181954665839505,
"volume": 381.94245340464755,
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"formula_full": "Na2 Ga1 Ag1 I6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-105622",
"created_at": "2022-09-04T14:36:06.606768Z",
"updated_at": "2022-09-04T14:36:06.606787Z",
"structure_string": "Na2 Ga1 Au1 F6\n1.0\n5.268760 -0.000000 3.041920\n1.756253 4.967434 3.041920\n-0.000000 -0.000000 6.083839\nNa Ga Au F\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Au\n0.778070 0.221930 0.221930 F\n0.221930 0.221930 0.778070 F\n0.221930 0.778069 0.778070 F\n0.221930 0.778069 0.221930 F\n0.778070 0.221930 0.778070 F\n0.778070 0.778069 0.221930 F\n",
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"volume": 159.2275579192071,
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"formula_full": "Na2 Ga1 Au1 F6",
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"spacegroup": 225
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{
"id": "jvasp-100890",
"created_at": "2022-09-04T14:36:41.415510Z",
"updated_at": "2022-09-04T14:36:41.415532Z",
"structure_string": "Na2 Ga1 Cu1 F6\n1.0\n4.956027 -0.000000 2.861364\n1.652009 4.672587 2.861364\n-0.000000 -0.000000 5.722727\nNa Ga Cu F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.749999 Na\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.499999 Cu\n0.236927 0.236927 0.763073 F\n0.236927 0.763073 0.763072 F\n0.763073 0.763073 0.236926 F\n0.236927 0.763073 0.236926 F\n0.763073 0.236927 0.763072 F\n0.763073 0.236927 0.236926 F\n",
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{
"id": "jvasp-35186",
"created_at": "2022-09-04T14:38:05.481203Z",
"updated_at": "2022-09-04T14:38:05.481230Z",
"structure_string": "Na2 Ga2 Ge4 O12\n1.0\n0.062123 0.000000 5.487899\n-4.789826 4.429335 1.447863\n-4.789826 -4.429335 1.447863\nNa Ga Ge O\n2 2 4 12\ndirect\n0.749999 0.691827 0.308174 Na\n0.249999 0.308174 0.691827 Na\n0.749999 0.093974 0.906028 Ga\n0.249999 0.906027 0.093974 Ga\n0.725803 0.614722 0.808779 Ge\n0.774195 0.191223 0.385280 Ge\n0.274195 0.385279 0.191223 Ge\n0.225803 0.808778 0.614722 Ge\n0.010069 0.337617 0.388185 O\n0.489929 0.611816 0.662384 O\n0.125634 0.979249 0.814406 O\n0.374365 0.185595 0.020752 O\n0.874365 0.020753 0.185595 O\n0.676659 0.085225 0.634067 O\n0.323339 0.914776 0.365934 O\n0.176659 0.634067 0.085225 O\n0.510069 0.388185 0.337618 O\n0.823339 0.365934 0.914776 O\n0.625634 0.814406 0.979249 O\n-0.010071 0.662384 0.611816 O\n",
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{
"id": "jvasp-106898",
"created_at": "2022-09-04T14:36:51.876954Z",
"updated_at": "2022-09-04T14:36:51.876974Z",
"structure_string": "Na2 Ga1 Hg1 Br6\n1.0\n6.664411 -0.000000 3.847699\n2.221470 6.283267 3.847699\n-0.000000 -0.000000 7.695399\nNa Ga Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Hg\n0.761100 0.238900 0.238900 Br\n0.238900 0.238900 0.761100 Br\n0.238900 0.761101 0.761100 Br\n0.238900 0.761101 0.238900 Br\n0.761100 0.238900 0.761100 Br\n0.761100 0.761101 0.238900 Br\n",
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{
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"structure_string": "Na2 Ga1 Hg1 Cl6\n1.0\n6.308540 -0.000000 3.642237\n2.102847 5.947748 3.642237\n-0.000000 -0.000000 7.284474\nNa Ga Hg Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Hg\n0.766045 0.233955 0.233955 Cl\n0.233955 0.233955 0.766044 Cl\n0.233956 0.766045 0.766044 Cl\n0.233956 0.766045 0.233955 Cl\n0.766045 0.233955 0.766045 Cl\n0.766045 0.766045 0.233955 Cl\n",
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{
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"created_at": "2022-09-04T14:36:13.721901Z",
"updated_at": "2022-09-04T14:36:13.721926Z",
"structure_string": "Na2 Ga1 Hg1 F6\n1.0\n5.344012 -0.000000 3.085367\n1.781337 5.038383 3.085367\n-0.000000 -0.000000 6.170733\nNa Ga Hg F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Hg\n0.780614 0.219386 0.219386 F\n0.219386 0.219386 0.780614 F\n0.219386 0.780614 0.780614 F\n0.219386 0.780614 0.219386 F\n0.780614 0.219386 0.780614 F\n0.780614 0.780614 0.219387 F\n",
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}
]
}