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{
"id": "jvasp-109626",
"created_at": "2022-09-04T14:38:19.508473Z",
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"structure_string": "Ba2 Zn1 Os1 O6\n1.0\n5.003197 -0.000000 2.888597\n1.667732 4.717059 2.888597\n0.000000 -0.000000 5.777194\nBa Zn Os O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Os\n0.760485 0.239515 0.239515 O\n0.239515 0.760485 0.760485 O\n0.239515 0.760485 0.239516 O\n0.760485 0.239515 0.760484 O\n0.239515 0.239515 0.760484 O\n0.760485 0.760485 0.239516 O\n",
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{
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"structure_string": "Na2 Nd2 Ti3 O10\n1.0\n3.807181 -0.000000 -0.509190\n-0.068101 3.806572 -0.509190\n0.011023 0.011222 14.570047\nNa Nd Ti O\n2 2 3 10\ndirect\n0.288434 0.288434 0.576869 Na\n0.711565 0.711565 0.423131 Na\n0.424946 0.424946 0.849893 Nd\n0.575053 0.575053 0.150107 Nd\n0.000000 0.000000 0.000000 Ti\n0.147108 0.147108 0.294217 Ti\n0.852891 0.852891 0.705783 Ti\n0.500000 0.000000 -0.000000 O\n0.868017 0.368017 0.736034 O\n0.000000 0.500000 -0.000000 O\n0.208636 0.208636 0.417272 O\n0.791364 0.791363 0.582728 O\n0.631982 0.131982 0.263966 O\n0.131983 0.631982 0.263966 O\n0.368017 0.868016 0.736034 O\n0.067487 0.067487 0.134976 O\n0.932512 0.932511 0.865024 O\n",
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{
"id": "jvasp-109443",
"created_at": "2022-09-04T14:38:19.519445Z",
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"structure_string": "Na2 Ag1 Au1 F6\n1.0\n5.348128 -0.000000 3.087743\n1.782709 5.042264 3.087743\n-0.000000 -0.000000 6.175487\nNa Ag Au F\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n0.750320 0.249680 0.249680 F\n0.249681 0.249680 0.750320 F\n0.249681 0.750319 0.750319 F\n0.249681 0.750319 0.249680 F\n0.750320 0.249680 0.750319 F\n0.750320 0.750319 0.249680 F\n",
"nsites": 10,
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"density_atomic": 0.06004839650297941,
"volume": 166.53234028495385,
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{
"id": "jvasp-109888",
"created_at": "2022-09-04T14:38:11.428156Z",
"updated_at": "2022-09-04T14:38:11.428179Z",
"structure_string": "Rb2 Lu1 Ag1 Cl6\n1.0\n6.428489 -0.000000 3.711490\n2.142830 6.060837 3.711490\n-0.000000 -0.000000 7.422979\nRb Lu Ag Cl\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 Lu\n0.500000 0.500000 0.500000 Ag\n0.756205 0.243796 0.243795 Cl\n0.243796 0.243796 0.756205 Cl\n0.243795 0.756205 0.756204 Cl\n0.243795 0.756205 0.243795 Cl\n0.756205 0.243796 0.756205 Cl\n0.756205 0.756205 0.243795 Cl\n",
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{
"id": "jvasp-59202",
"created_at": "2022-09-04T14:38:11.414907Z",
"updated_at": "2022-09-04T14:38:11.414927Z",
"structure_string": "Li2 Mn2 P4 O14\n1.0\n-5.170976 0.025757 -0.020399\n0.640064 6.900309 0.053779\n-0.184159 -3.090800 -7.384037\nLi Mn P O\n2 2 4 14\ndirect\n0.704607 0.147504 0.988784 Li\n0.265439 0.931254 0.441082 Li\n0.790165 0.756500 0.728339 Mn\n0.225366 0.220800 0.270377 Mn\n0.236884 0.120684 0.830404 P\n0.284915 0.458976 0.696404 P\n0.745789 0.872514 0.171374 P\n0.721117 0.530703 0.302659 P\n0.328883 0.145744 0.020438 O\n0.411631 0.994174 0.682918 O\n0.176916 0.275015 0.521347 O\n0.579266 0.504191 0.677504 O\n0.544860 0.990153 0.301823 O\n0.692226 0.858577 0.978799 O\n0.945791 0.045992 0.795739 O\n0.853147 0.699853 0.473908 O\n0.863721 0.332679 0.214695 O\n0.253003 0.362661 0.850015 O\n0.134795 0.650502 0.762415 O\n0.730766 0.630759 0.151260 O\n0.031167 0.953539 0.229262 O\n0.430013 0.484728 0.332117 O\n",
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{
"id": "jvasp-117342",
"created_at": "2022-09-04T14:38:26.368490Z",
"updated_at": "2022-09-04T14:38:26.368523Z",
"structure_string": "U6 Al8 Fe5 Si9\n1.0\n10.209228 0.012822 -4.414004\n-0.496789 3.998724 -10.367032\n0.000328 -0.012822 11.122580\nU Al Fe Si\n6 8 5 9\ndirect\n0.872715 0.872714 -0.000001 U\n0.127285 0.127285 -0.000000 U\n0.189145 0.874758 0.314386 U\n0.439628 0.125241 0.314386 U\n0.560373 0.874758 0.685614 U\n0.810856 0.125241 0.685614 U\n0.150834 0.000000 0.150834 Al\n0.263980 0.763980 0.500000 Al\n0.736020 0.236019 0.500000 Al\n0.849166 0.000000 0.849166 Al\n0.336453 0.500000 0.836453 Al\n0.617121 0.617120 -0.000000 Al\n0.382879 0.382879 -0.000000 Al\n0.663547 0.499999 0.163547 Al\n0.028388 0.713559 0.314829 Fe\n0.601270 0.286440 0.314829 Fe\n0.000000 0.500000 0.500000 Fe\n0.971612 0.286440 0.685171 Fe\n0.398731 0.713559 0.685171 Fe\n0.933711 0.588507 0.345202 Si\n0.871215 0.739493 0.131720 Si\n0.392227 0.260506 0.131720 Si\n0.607774 0.739493 0.868279 Si\n0.128786 0.260506 0.868280 Si\n0.066290 0.411492 0.654798 Si\n0.243305 0.588508 0.654798 Si\n0.756695 0.411491 0.345202 Si\n0.500000 0.000000 0.500000 Si\n",
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{
"id": "jvasp-112327",
"created_at": "2022-09-04T14:38:26.373781Z",
"updated_at": "2022-09-04T14:38:26.373804Z",
"structure_string": "Li3 Ti3 Co3 F18\n1.0\n8.624911 -0.000000 0.000000\n-4.312455 7.469393 0.000000\n-0.000000 -0.000000 4.598238\nLi Ti Co F\n3 3 3 18\ndirect\n0.683268 0.000000 0.500000 Li\n0.000000 0.683268 0.500000 Li\n0.316732 0.316732 0.500000 Li\n0.338882 0.000000 -0.000000 Ti\n0.000000 0.338882 -0.000000 Ti\n0.661118 0.661118 -0.000000 Ti\n0.333334 0.666666 0.497672 Co\n0.666667 0.333333 0.502329 Co\n0.000000 0.000000 0.000000 Co\n0.122078 0.886826 0.244079 F\n0.772356 0.561727 0.249363 F\n0.210629 0.438273 0.750638 F\n0.789371 0.227644 0.249363 F\n0.438273 0.210629 0.249363 F\n0.886826 0.122078 0.755922 F\n0.877922 0.764748 0.755922 F\n0.235252 0.113174 0.755922 F\n0.554260 0.450390 0.752437 F\n0.113174 0.235252 0.244079 F\n0.896130 0.445740 0.752437 F\n0.227644 0.789371 0.750638 F\n0.445740 0.896130 0.247563 F\n0.549610 0.103870 0.752437 F\n0.450390 0.554260 0.247563 F\n0.103870 0.549610 0.247563 F\n0.764748 0.877922 0.244079 F\n0.561727 0.772356 0.750638 F\n",
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{
"id": "jvasp-112351",
"created_at": "2022-09-04T14:38:26.382160Z",
"updated_at": "2022-09-04T14:38:26.382184Z",
"structure_string": "Rb12 Sn2 Sb6 O1\n1.0\n12.392288 0.000000 0.000000\n-6.196144 10.732036 0.000000\n-0.000000 -0.000000 6.215280\nRb Sn Sb O\n12 2 6 1\ndirect\n0.454281 0.545720 0.250124 Rb\n0.222520 0.111259 0.728218 Rb\n0.888741 0.111259 0.728218 Rb\n0.777481 0.888741 0.271782 Rb\n0.111259 0.222520 0.271782 Rb\n0.111260 0.888741 0.271782 Rb\n0.888741 0.777481 0.728218 Rb\n0.545720 0.091439 0.749876 Rb\n0.545720 0.454281 0.749876 Rb\n0.091439 0.545720 0.250124 Rb\n0.454281 0.908561 0.250124 Rb\n0.908561 0.454281 0.749876 Rb\n0.333334 0.666667 0.752283 Sn\n0.666667 0.333333 0.247717 Sn\n0.590018 0.795009 0.758900 Sb\n0.795009 0.204992 0.241100 Sb\n0.795009 0.590018 0.241100 Sb\n0.409982 0.204992 0.241100 Sb\n0.204992 0.795009 0.758900 Sb\n0.204992 0.409982 0.758900 Sb\n0.000000 0.000000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:38:07.415572Z",
"updated_at": "2022-09-04T14:38:07.415604Z",
"structure_string": "Li3 Fe3 Cu1 O8\n1.0\n5.677568 0.000848 0.000031\n-0.000932 5.765346 0.024745\n-2.838169 -2.813131 4.032769\nLi Fe Cu O\n3 3 1 8\ndirect\n0.001038 0.501933 0.002063 Li\n0.499778 0.501915 0.500708 Li\n0.000947 0.501914 0.500721 Li\n0.503128 0.000561 0.006261 Fe\n-0.005618 0.000604 0.497502 Fe\n0.503118 0.000605 0.497499 Fe\n-0.000643 -0.001958 -0.001282 Cu\n0.260867 0.782585 0.521745 O\n0.753384 0.778801 0.506771 O\n0.272071 0.778773 0.025462 O\n0.743997 0.231922 0.487980 O\n0.753426 0.778807 0.025455 O\n0.244613 0.214531 0.489225 O\n0.725298 0.214523 0.969937 O\n0.244600 0.214496 0.969953 O\n",
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{
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"structure_string": "Li3 V3 Cr1 O8\n1.0\n-4.014529 -0.002060 0.002403\n2.004414 6.064385 0.025395\n-0.002894 -1.870128 -6.164327\nLi V Cr O\n3 3 1 8\ndirect\n0.057917 0.120826 0.359861 Li\n0.174407 0.353821 0.005194 Li\n0.936984 0.878979 0.640543 Li\n0.605953 0.216893 0.701261 V\n0.291019 0.587047 0.700750 V\n0.392680 0.790350 0.287186 V\n0.713550 0.432104 0.311014 Cr\n0.651245 0.307510 0.000728 O\n0.561200 0.127391 0.363945 O\n0.118056 0.241108 0.687807 O\n0.767530 0.540064 0.644556 O\n0.228398 0.461803 0.335006 O\n0.881715 0.768423 0.322419 O\n0.439770 0.884539 0.637150 O\n0.342659 0.690309 0.994918 O\n",
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"formula_full": "Li3 V3 Cr1 O8",
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},
{
"id": "jvasp-117378",
"created_at": "2022-09-04T14:38:26.393333Z",
"updated_at": "2022-09-04T14:38:26.393361Z",
"structure_string": "Na2 Lu2 Ti4 O12\n1.0\n5.244559 -0.000000 0.000000\n0.000000 5.496092 0.000000\n-0.000000 -0.000000 7.541518\nNa Lu Ti O\n2 2 4 12\ndirect\n0.493242 0.711521 0.500000 Na\n0.993242 0.288479 -0.000000 Na\n0.020181 0.172994 0.500000 Lu\n0.520181 0.827006 -0.000000 Lu\n0.510924 0.265041 0.752266 Ti\n0.010924 0.734959 0.252265 Ti\n0.510924 0.265041 0.247735 Ti\n0.010924 0.734959 0.747735 Ti\n0.683888 0.561484 0.191929 O\n0.782549 0.037556 0.795295 O\n0.683888 0.561484 0.808072 O\n0.782549 0.037556 0.204706 O\n0.282549 0.962443 0.295294 O\n0.615617 0.279627 0.500000 O\n0.416238 0.220231 -0.000000 O\n0.115617 0.720373 -0.000000 O\n0.183888 0.438516 0.308071 O\n0.916238 0.779768 0.500000 O\n0.183888 0.438516 0.691929 O\n0.282549 0.962443 0.704706 O\n",
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],
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{
"id": "jvasp-45308",
"created_at": "2022-09-04T14:38:28.962715Z",
"updated_at": "2022-09-04T14:38:28.962744Z",
"structure_string": "Ag2 Hg6 Sb2 O12\n1.0\n7.035411 -0.014655 0.303364\n0.289933 7.029450 0.303364\n-0.015303 -0.014655 7.041931\nAg Hg Sb O\n2 6 2 12\ndirect\n0.750000 0.749999 0.749999 Ag\n0.250000 0.250000 0.250000 Ag\n0.908864 0.249999 0.591135 Hg\n0.591136 0.908863 0.249999 Hg\n0.250000 0.591135 0.908863 Hg\n0.408864 0.091135 0.750000 Hg\n0.750000 0.408863 0.091136 Hg\n0.091136 0.750000 0.408863 Hg\n0.500000 0.499999 0.499999 Sb\n0.000000 0.000000 0.000000 Sb\n0.004745 0.288255 0.991581 O\n0.788255 0.504744 0.491580 O\n0.508419 0.211744 0.495254 O\n0.495255 0.508418 0.211744 O\n0.211745 0.495254 0.508418 O\n0.711745 0.008418 0.995254 O\n0.995254 0.711744 0.008418 O\n0.008419 0.995254 0.711744 O\n0.491581 0.788255 0.504744 O\n0.504745 0.491580 0.788255 O\n0.991581 0.004744 0.288255 O\n0.288255 0.991581 0.004744 O\n",
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],
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}
]
}