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{
"id": "jvasp-106222",
"created_at": "2022-09-04T14:36:55.306235Z",
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"structure_string": "Rb2 Tl1 Ag1 I6\n1.0\n7.299920 -0.000000 4.214610\n2.433307 6.882431 4.214610\n0.000000 0.000000 8.429222\nRb Tl Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n0.743098 0.256902 0.256902 I\n0.256902 0.256902 0.743098 I\n0.256903 0.743098 0.743097 I\n0.256903 0.743098 0.256902 I\n0.743098 0.256902 0.743098 I\n0.743098 0.743098 0.256902 I\n",
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{
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{
"id": "jvasp-102400",
"created_at": "2022-09-04T14:36:42.547567Z",
"updated_at": "2022-09-04T14:36:42.547586Z",
"structure_string": "Rb2 Tl1 Ag1 Cl6\n1.0\n6.444530 -0.000000 3.720751\n2.148177 6.075961 3.720751\n-0.000000 -0.000000 7.441502\nRb Tl Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n0.748594 0.251406 0.251406 Cl\n0.251407 0.251406 0.748593 Cl\n0.251407 0.748593 0.748593 Cl\n0.251407 0.748593 0.251406 Cl\n0.748594 0.251406 0.748593 Cl\n0.748594 0.748593 0.251406 Cl\n",
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"density_atomic": 0.0343188850356418,
"volume": 291.3847576812161,
"volume_molar": 17.547600260747746,
"formula_full": "Rb2 Tl1 Ag1 Cl6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
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"created_at": "2022-09-04T14:37:34.294527Z",
"updated_at": "2022-09-04T14:37:34.294553Z",
"structure_string": "Rb4 Ti2 Si6 O18\n1.0\n3.465199 -6.001901 -0.000000\n3.465199 6.001901 0.000000\n0.000000 0.000000 10.084069\nRb Ti Si O\n4 2 6 18\ndirect\n0.666667 0.333333 0.558456 Rb\n0.333333 0.666667 0.058456 Rb\n0.333333 0.666667 0.441544 Rb\n0.666667 0.333333 0.941544 Rb\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.134291 0.757248 0.750000 Si\n0.757248 0.622957 0.250000 Si\n0.377043 0.134291 0.250000 Si\n0.242752 0.377043 0.750000 Si\n0.865709 0.242752 0.250000 Si\n0.622957 0.865709 0.750000 Si\n0.245385 0.030081 0.387293 O\n0.506515 0.589617 0.750000 O\n0.493485 0.410383 0.250000 O\n0.916897 0.506515 0.250000 O\n0.410383 0.916897 0.750000 O\n0.030082 0.784697 0.887293 O\n0.784697 0.754616 0.387293 O\n0.754616 0.969919 0.887293 O\n0.245385 0.030081 0.112707 O\n0.969919 0.215303 0.387293 O\n0.969919 0.215303 0.112707 O\n0.215303 0.245385 0.612707 O\n0.754616 0.969919 0.612707 O\n0.083103 0.493485 0.750000 O\n0.784697 0.754616 0.112707 O\n0.030082 0.784697 0.612707 O\n0.215303 0.245385 0.887293 O\n0.589617 0.083104 0.250000 O\n",
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{
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"created_at": "2022-09-04T14:36:21.236031Z",
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"structure_string": "Rb2 Ti4 P6 O24\n1.0\n7.466374 -0.011972 5.540864\n2.781389 6.928981 5.540864\n-0.017737 -0.011972 9.297720\nRb Ti P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.500000 0.500000 Rb\n0.349157 0.349158 0.349158 Ti\n0.849157 0.849158 0.849157 Ti\n0.650842 0.650843 0.650842 Ti\n0.150842 0.150842 0.150842 Ti\n0.971158 0.528842 0.250000 P\n0.250000 0.971159 0.528841 P\n0.528841 0.250000 0.971159 P\n0.749999 0.028842 0.471159 P\n0.471158 0.750000 0.028841 P\n0.028841 0.471159 0.750000 P\n0.429633 0.567566 0.196521 O\n0.070366 0.303479 0.932434 O\n0.303479 0.932435 0.070366 O\n0.932434 0.070367 0.303479 O\n0.567565 0.196522 0.429633 O\n0.196521 0.429634 0.567565 O\n0.845345 0.486942 0.766322 O\n0.067565 0.929633 0.696521 O\n0.486941 0.766322 0.845346 O\n0.766321 0.845346 0.486941 O\n0.733677 0.013059 0.654654 O\n0.013058 0.654654 0.733678 O\n0.654654 0.733678 0.013058 O\n0.154654 0.513058 0.233678 O\n0.696520 0.067566 0.929633 O\n0.513058 0.233678 0.154654 O\n0.266322 0.986942 0.345345 O\n0.986941 0.345346 0.266322 O\n0.345345 0.266322 0.986942 O\n0.570366 0.432435 0.803478 O\n0.803478 0.570367 0.432434 O\n0.432434 0.803479 0.570366 O\n0.233678 0.154654 0.513058 O\n0.929633 0.696522 0.067565 O\n",
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{
"id": "jvasp-10085",
"created_at": "2022-09-04T14:38:33.080452Z",
"updated_at": "2022-09-04T14:38:33.080476Z",
"structure_string": "Rb4 Ti2 Cu4 S8\n1.0\n5.608815 -0.000000 0.000000\n0.000000 5.608815 0.000000\n0.000000 0.000000 13.196719\nRb Ti Cu S\n4 2 4 8\ndirect\n0.762132 0.762132 0.000000 Rb\n0.237869 0.762132 0.500000 Rb\n0.762132 0.237869 0.500000 Rb\n0.237869 0.237869 0.000000 Rb\n0.500000 0.500000 0.750000 Ti\n0.500000 0.500000 0.250000 Ti\n0.500000 0.000000 0.250000 Cu\n0.000000 0.500000 0.250000 Cu\n0.000000 0.500000 0.750000 Cu\n0.500000 0.000000 0.750000 Cu\n0.262075 0.737926 0.152074 S\n0.737926 0.737926 0.652074 S\n0.262075 0.262075 0.652074 S\n0.737926 0.737926 0.347926 S\n0.737926 0.262075 0.152074 S\n0.262075 0.737926 0.847926 S\n0.262075 0.262075 0.347926 S\n0.737926 0.262075 0.847926 S\n",
"nsites": 18,
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],
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{
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"created_at": "2022-09-04T14:37:49.281831Z",
"updated_at": "2022-09-04T14:37:49.281851Z",
"structure_string": "Rb2 Ti1 Au1 F6\n1.0\n5.633314 -0.000000 3.252395\n1.877771 5.311140 3.252395\n-0.000000 -0.000000 6.504791\nRb Ti Au F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ti\n0.499999 0.500000 0.500001 Au\n0.794604 0.205396 0.205396 F\n0.205395 0.205396 0.794605 F\n0.205395 0.794605 0.794605 F\n0.205395 0.794605 0.205396 F\n0.794604 0.205396 0.794605 F\n0.794604 0.794605 0.205397 F\n",
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"volume": 194.61891902559236,
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{
"id": "jvasp-96932",
"created_at": "2022-09-04T14:35:53.969376Z",
"updated_at": "2022-09-04T14:35:53.969401Z",
"structure_string": "Rb2 Th4 P6 O24\n1.0\n6.469550 0.000000 -2.517021\n-0.629910 7.961376 -1.619068\n0.003553 0.009205 9.582049\nRb Th P O\n2 4 6 24\ndirect\n0.597460 0.250000 0.000000 Rb\n0.402540 0.750000 -0.000000 Rb\n0.247148 0.533543 0.308498 Th\n0.061349 0.033543 0.308498 Th\n0.938650 0.966458 0.691502 Th\n0.752851 0.466458 0.691502 Th\n0.099300 0.250000 -0.000000 P\n0.398732 0.818507 0.618890 P\n0.601267 0.181494 0.381110 P\n0.220157 0.318507 0.618890 P\n0.779843 0.681494 0.381110 P\n0.900701 0.750000 0.000000 P\n0.400267 0.067395 0.306926 O\n0.044576 0.245192 0.143813 O\n0.174414 0.331205 0.448882 O\n0.740863 0.153685 0.287677 O\n0.274468 0.831205 0.448882 O\n0.449892 0.629480 0.593981 O\n0.855911 0.870521 0.406019 O\n0.599733 0.932606 0.693074 O\n0.245073 0.411466 0.052213 O\n0.754927 0.588536 0.947787 O\n0.546814 0.653685 0.287677 O\n0.099237 0.745192 0.143813 O\n0.807140 0.911466 0.052213 O\n0.550108 0.370521 0.406019 O\n0.955424 0.754809 0.856187 O\n0.900763 0.254809 0.856187 O\n0.906659 0.567395 0.306926 O\n0.259137 0.846316 0.712323 O\n0.144089 0.129480 0.593981 O\n0.093340 0.432606 0.693074 O\n0.192859 0.088535 0.947787 O\n0.453186 0.346316 0.712323 O\n0.725531 0.168796 0.551118 O\n0.825586 0.668796 0.551118 O\n",
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],
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{
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"created_at": "2022-09-04T14:35:45.676756Z",
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"structure_string": "Rb1 Ta1 P2 O8\n1.0\n5.027089 -0.035885 0.273621\n2.290206 4.475251 0.273621\n0.064195 0.038947 8.254241\nRb Ta P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Rb\n-0.000001 0.000000 0.500000 Ta\n0.637108 0.637108 0.707456 P\n0.362892 0.362892 0.292544 P\n0.319155 0.319154 0.121870 O\n0.773809 0.300449 0.665088 O\n0.226192 0.699551 0.334912 O\n0.300449 0.773809 0.665088 O\n0.699551 0.226191 0.334912 O\n0.680846 0.680846 0.878129 O\n0.220783 0.220783 0.423733 O\n0.779217 0.779216 0.576267 O\n",
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"formula_anonymous": "ABC2D8",
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{
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"created_at": "2022-09-04T14:35:46.806579Z",
"updated_at": "2022-09-04T14:35:46.806596Z",
"structure_string": "Rb1 Ta1 P2 O8\n1.0\n5.050105 -0.023563 0.265079\n2.311766 4.489974 0.265079\n0.048045 0.029148 8.308713\nRb Ta P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Ta\n0.638881 0.638879 0.706766 P\n0.361122 0.361121 0.293234 P\n0.319209 0.319209 0.122950 O\n0.776678 0.303687 0.663064 O\n0.223324 0.696313 0.336935 O\n0.303688 0.776677 0.663064 O\n0.696315 0.223324 0.336935 O\n0.680793 0.680792 0.877050 O\n0.218527 0.218526 0.421090 O\n0.781476 0.781474 0.578910 O\n",
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{
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"created_at": "2022-09-04T14:36:30.956294Z",
"updated_at": "2022-09-04T14:36:30.956318Z",
"structure_string": "Rb2 Ta1 Hg1 F6\n1.0\n5.956313 -0.000000 3.438879\n1.985438 5.615666 3.438879\n-0.000000 -0.000000 6.877758\nRb Ta Hg F\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Hg\n0.794979 0.205021 0.205021 F\n0.205020 0.205021 0.794980 F\n0.205020 0.794980 0.794980 F\n0.205020 0.794980 0.205020 F\n0.794979 0.205021 0.794980 F\n0.794979 0.794980 0.205021 F\n",
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{
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"created_at": "2022-09-04T14:37:47.390705Z",
"updated_at": "2022-09-04T14:37:47.390727Z",
"structure_string": "Rb2 Ta2 Ge2 S10\n1.0\n7.034489 0.024766 -0.045809\n1.795286 6.777878 -0.109876\n1.810642 2.664292 8.394517\nRb Ta Ge S\n2 2 2 10\ndirect\n0.582628 0.374073 0.314598 Rb\n0.417372 0.625928 0.685402 Rb\n0.239589 0.031811 0.005318 Ta\n0.760411 0.968190 0.994682 Ta\n0.979119 0.709439 0.378544 Ge\n0.020882 0.290562 0.621456 Ge\n0.070215 0.748192 -0.000127 S\n0.435681 0.238593 0.029582 S\n0.690335 0.882276 0.293755 S\n0.226976 0.873938 0.298841 S\n0.066183 0.384423 0.351098 S\n0.933817 0.615577 0.648902 S\n0.773024 0.126063 0.701159 S\n0.309665 0.117725 0.706245 S\n0.564319 0.761408 0.970418 S\n0.929786 0.251809 0.000127 S\n",
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"formula_full": "Rb2 Ta2 Ge2 S10",
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}
]
}