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{
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{
"id": "jvasp-91549",
"created_at": "2022-09-04T14:36:04.734619Z",
"updated_at": "2022-09-04T14:36:04.734643Z",
"structure_string": "Tb2 Ni2 B2 C2\n1.0\n3.613275 0.000000 0.000000\n-0.000000 3.613275 0.000000\n0.000000 -0.000000 7.529603\nTb Ni B C\n2 2 2 2\ndirect\n0.750001 0.750001 0.832811 Tb\n0.250000 0.250000 0.167189 Tb\n0.750001 0.250000 0.500000 Ni\n0.250000 0.750001 0.500000 Ni\n0.250000 0.250000 0.645467 B\n0.750001 0.750001 0.354532 B\n0.250000 0.250000 0.842710 C\n0.750001 0.750001 0.157289 C\n",
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{
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{
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"created_at": "2022-09-04T14:38:27.619686Z",
"updated_at": "2022-09-04T14:38:27.619718Z",
"structure_string": "Tb2 P2 Os4 C2\n1.0\n5.902177 -0.005906 0.000000\n-4.647711 3.637928 0.000000\n-0.000000 0.000000 7.068721\nTb P Os C\n2 2 4 2\ndirect\n0.543829 0.456171 0.250000 Tb\n0.456172 0.543828 0.750000 Tb\n0.268763 0.731238 0.250000 P\n0.731238 0.268762 0.750000 P\n0.834321 0.165678 0.052149 Os\n0.165680 0.834321 0.947851 Os\n0.165680 0.834321 0.552148 Os\n0.834321 0.165678 0.447851 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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"density_atomic": 0.06597028908118696,
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"formula_full": "Tb2 P2 Os4 C2",
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"spacegroup": 63
},
{
"id": "jvasp-110703",
"created_at": "2022-09-04T14:38:43.116519Z",
"updated_at": "2022-09-04T14:38:43.116540Z",
"structure_string": "Rb2 Tb1 Ag1 Cl6\n1.0\n6.507590 -0.000000 3.757159\n2.169197 6.135415 3.757159\n-0.000000 -0.000000 7.514318\nTb Rb Ag Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750001 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.752893 0.247107 0.247108 Cl\n0.247108 0.247107 0.752893 Cl\n0.247108 0.752892 0.752893 Cl\n0.247108 0.752892 0.247108 Cl\n0.752893 0.247107 0.752893 Cl\n0.752893 0.752892 0.247108 Cl\n",
"nsites": 10,
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],
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"density": 3.600040740642022,
"density_atomic": 0.03333084338884879,
"volume": 300.0224111744383,
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"formula_full": "Rb2 Tb1 Ag1 Cl6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-109478",
"created_at": "2022-09-04T14:38:27.492017Z",
"updated_at": "2022-09-04T14:38:27.492044Z",
"structure_string": "Rb2 Tb1 Au1 Cl6\n1.0\n6.529613 -0.000000 3.769874\n2.176538 6.156178 3.769874\n-0.000000 -0.000000 7.539747\nTb Rb Au Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Au\n0.753687 0.246312 0.246312 Cl\n0.246312 0.246312 0.753688 Cl\n0.246312 0.753688 0.753687 Cl\n0.246312 0.753688 0.246312 Cl\n0.753687 0.246312 0.753688 Cl\n0.753688 0.753688 0.246312 Cl\n",
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"formula_full": "Rb2 Tb1 Au1 Cl6",
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{
"id": "jvasp-99415",
"created_at": "2022-09-04T14:36:38.819094Z",
"updated_at": "2022-09-04T14:36:38.819109Z",
"structure_string": "Rb2 Tb1 Cu1 Cl6\n1.0\n6.307670 -0.000000 3.641735\n2.102557 5.946928 3.641735\n-0.000000 -0.000000 7.283470\nTb Rb Cu Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Cu\n0.744784 0.255216 0.255215 Cl\n0.255216 0.255216 0.744783 Cl\n0.255217 0.744784 0.744783 Cl\n0.255217 0.744784 0.255215 Cl\n0.744784 0.255216 0.744783 Cl\n0.744784 0.744784 0.255215 Cl\n",
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"volume": 273.2121320487948,
"volume_molar": 16.453219165375494,
"formula_full": "Rb2 Tb1 Cu1 Cl6",
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{
"id": "jvasp-105072",
"created_at": "2022-09-04T14:36:50.615070Z",
"updated_at": "2022-09-04T14:36:50.615091Z",
"structure_string": "Rb2 Li1 Tb1 Cl6\n1.0\n6.311053 -0.000000 3.643688\n2.103684 5.950118 3.643688\n-0.000000 -0.000000 7.287377\nTb Rb Li Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500001 Li\n0.744948 0.255051 0.255052 Cl\n0.255051 0.255051 0.744950 Cl\n0.255050 0.744949 0.744950 Cl\n0.255050 0.744949 0.255052 Cl\n0.744948 0.255051 0.744950 Cl\n0.744948 0.744949 0.255052 Cl\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Cl-Li-Rb-Tb",
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"volume": 273.6520106846394,
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"formula_full": "Rb2 Li1 Tb1 Cl6",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-104820",
"created_at": "2022-09-04T14:36:56.717136Z",
"updated_at": "2022-09-04T14:36:56.717156Z",
"structure_string": "Rb2 Na1 Tb1 Cl6\n1.0\n6.491981 -0.000000 3.748147\n2.163994 6.120699 3.748147\n-0.000000 -0.000000 7.496294\nTb Rb Na Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.752242 0.247758 0.247758 Cl\n0.247757 0.247758 0.752242 Cl\n0.247757 0.752243 0.752243 Cl\n0.247757 0.752243 0.247758 Cl\n0.752242 0.247758 0.752242 Cl\n0.752242 0.752243 0.247758 Cl\n",
"nsites": 10,
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{
"id": "jvasp-116594",
"created_at": "2022-09-04T14:38:42.438881Z",
"updated_at": "2022-09-04T14:38:42.438919Z",
"structure_string": "Rb2 Tb2 W4 O16\n1.0\n6.644856 -0.057339 3.518036\n-1.641615 6.439138 3.518036\n-0.045114 -0.057544 7.573738\nTb Rb W O\n2 2 4 16\ndirect\n0.772171 0.227831 0.750000 Tb\n0.227830 0.772170 0.250000 Tb\n0.199575 0.800426 0.750000 Rb\n0.800426 0.199574 0.250000 Rb\n0.698238 0.693106 0.769799 W\n0.301763 0.306895 0.230201 W\n0.306895 0.301763 0.730201 W\n0.693105 0.698238 0.269799 W\n0.207048 0.046440 0.308810 O\n0.792952 0.953561 0.691190 O\n0.368308 0.585259 0.471060 O\n0.631693 0.414742 0.528941 O\n0.414741 0.631693 0.028941 O\n0.585259 0.368308 0.971060 O\n0.065837 0.384695 0.371347 O\n0.759726 0.618770 0.058791 O\n0.615305 0.934164 0.128654 O\n0.384695 0.065837 0.871347 O\n0.046440 0.207049 0.808810 O\n0.240275 0.381231 0.941210 O\n0.381230 0.240275 0.441210 O\n0.618770 0.759726 0.558791 O\n0.934164 0.615306 0.628654 O\n0.953561 0.792952 0.191191 O\n",
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{
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"created_at": "2022-09-04T14:37:46.397626Z",
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"structure_string": "Tb2 Re2 Si2 C1\n1.0\n-0.000000 -4.005498 -0.000000\n4.368742 -2.002748 -3.335188\n4.349988 -2.002748 3.633186\nTb Re Si C\n2 2 2 1\ndirect\n0.427827 0.845243 0.299105 Tb\n0.572174 0.154756 0.700895 Tb\n0.793206 0.321317 0.092272 Re\n0.206795 0.678683 0.907729 Re\n0.857241 0.602930 0.682589 Si\n0.142760 0.397069 0.317412 Si\n0.000000 0.000000 0.000000 C\n",
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{
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"updated_at": "2022-09-04T14:37:26.950862Z",
"structure_string": "Tb5 Se2 Cl3 O10\n1.0\n5.485318 -0.000000 0.000000\n-2.742658 6.080902 -0.032311\n0.000000 0.032447 9.784056\nTb Se Cl O\n5 2 3 10\ndirect\n0.210934 0.421868 0.105083 Tb\n0.900796 0.801590 0.236521 Tb\n0.099204 0.198410 0.763479 Tb\n0.500000 0.000000 -0.000000 Tb\n0.789066 0.578132 0.894918 Tb\n0.410097 0.820195 0.678196 Se\n0.589903 0.179805 0.321805 Se\n0.335386 0.670772 0.352929 Cl\n0.000000 0.000000 0.500000 Cl\n0.664614 0.329228 0.647071 Cl\n0.273989 0.547978 0.704299 O\n0.899424 0.289319 0.939464 O\n0.318631 0.114006 0.205347 O\n0.795375 0.114006 0.205347 O\n0.610106 0.710682 0.060536 O\n0.204625 0.885994 0.794653 O\n0.100577 0.710682 0.060536 O\n0.681369 0.885994 0.794653 O\n0.726011 0.452022 0.295702 O\n0.389894 0.289319 0.939464 O\n",
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{
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"created_at": "2022-09-04T14:38:26.451508Z",
"updated_at": "2022-09-04T14:38:26.451527Z",
"structure_string": "Tb6 Se4 N2 O2\n1.0\n7.958267 0.002552 1.014951\n6.991031 3.802566 1.014951\n0.020107 0.005118 9.735504\nTb Se N O\n6 4 2 2\ndirect\n0.391966 0.391967 0.944939 Tb\n0.608034 0.608034 0.055060 Tb\n0.045930 0.045930 0.739741 Tb\n0.954070 0.954071 0.260258 Tb\n0.196185 0.196186 0.325488 Tb\n0.803814 0.803815 0.674511 Tb\n0.212960 0.212961 0.850523 Se\n0.787039 0.787040 0.149476 Se\n0.371721 0.371721 0.472754 Se\n0.628279 0.628280 0.527245 Se\n0.096563 0.096563 0.188453 N\n0.903437 0.903438 0.811546 N\n0.536737 0.536738 0.861147 O\n0.463263 0.463263 0.138852 O\n",
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"formula_full": "Tb6 Se4 N2 O2",
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}
]
}