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{
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"results": [
{
"id": "jvasp-15619",
"created_at": "2022-09-04T14:37:01.115942Z",
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"structure_string": "Tb1 Mn2 Si2\n1.0\n3.685066 -0.000000 -1.296805\n-0.456356 3.656700 -1.296805\n-0.006834 -0.007739 5.864818\nTb Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.250000 0.750000 0.500001 Mn\n0.750001 0.250000 0.500001 Mn\n0.621155 0.621155 0.242310 Si\n0.378846 0.378845 0.757692 Si\n",
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{
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"updated_at": "2022-09-04T14:38:15.818873Z",
"structure_string": "Tb1 Mn6 Sn6\n1.0\n2.730517 -4.729394 0.000000\n2.730517 4.729394 -0.000000\n0.000000 0.000000 8.968297\nTb Mn Sn\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000001 0.500000 0.751559 Mn\n0.500000 0.000001 0.751559 Mn\n0.500001 0.500001 0.751559 Mn\n0.000001 0.500000 0.248442 Mn\n0.500000 0.000001 0.248442 Mn\n0.500001 0.500001 0.248442 Mn\n0.333334 0.666667 0.000000 Sn\n0.666667 0.333334 0.000000 Sn\n0.333334 0.666667 0.500000 Sn\n0.666667 0.333334 0.500000 Sn\n0.000000 0.000000 0.666983 Sn\n0.000000 0.000000 0.333017 Sn\n",
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{
"id": "jvasp-112981",
"created_at": "2022-09-04T14:38:45.649547Z",
"updated_at": "2022-09-04T14:38:45.649576Z",
"structure_string": "Tb4 Mo4 Br4 O16\n1.0\n6.573063 -0.040206 -2.042257\n-0.991786 6.903335 -1.882414\n-0.019414 0.086997 10.922930\nTb Mo Br O\n4 4 4 16\ndirect\n0.646117 0.124813 0.732702 Tb\n0.353882 0.875188 0.267298 Tb\n0.389295 0.655682 0.766986 Tb\n0.610704 0.344318 0.233014 Tb\n0.732353 0.811620 0.132740 Mo\n0.267647 0.188381 0.867260 Mo\n0.776875 0.598946 0.627888 Mo\n0.223125 0.401055 0.372112 Mo\n0.814467 0.290705 0.022659 Br\n0.185533 0.709296 0.977341 Br\n0.743128 0.014865 0.481515 Br\n0.256872 0.985136 0.518485 Br\n0.328932 0.486550 0.548283 O\n0.671067 0.513451 0.451717 O\n0.275760 0.582235 0.299045 O\n0.724239 0.417766 0.700955 O\n0.956673 0.340394 0.330523 O\n0.043326 0.659606 0.669477 O\n0.600948 0.014457 0.176110 O\n0.329599 0.274319 0.041580 O\n0.377827 0.351993 0.797469 O\n0.622173 0.648007 0.202531 O\n-0.000099 0.130803 0.793496 O\n0.000099 0.869199 0.206505 O\n0.655906 0.796285 0.701531 O\n0.670401 0.725682 0.958420 O\n0.399051 0.985544 0.823890 O\n0.344093 0.203716 0.298469 O\n",
"nsites": 28,
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"formula_full": "Tb4 Mo4 Br4 O16",
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"formula_anonymous": "ABCD4",
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"spacegroup": 2
},
{
"id": "jvasp-111673",
"created_at": "2022-09-04T14:38:40.878886Z",
"updated_at": "2022-09-04T14:38:40.878907Z",
"structure_string": "Tb4 Mo4 C8\n1.0\n3.409430 -0.000000 0.000000\n-0.000000 5.727858 0.000000\n0.000000 0.000000 10.813026\nTb Mo C\n4 4 8\ndirect\n0.250000 0.087690 0.862550 Tb\n0.250000 0.587690 0.637450 Tb\n0.750000 0.912311 0.137450 Tb\n0.750000 0.412311 0.362550 Tb\n0.250000 0.402053 0.110036 Mo\n0.250000 0.902053 0.389965 Mo\n0.750000 0.597947 0.889965 Mo\n0.750000 0.097947 0.610036 Mo\n0.250000 0.158027 0.247417 C\n0.250000 0.658027 0.252583 C\n0.750000 0.841974 0.752583 C\n0.750000 0.341974 0.747418 C\n0.250000 0.720865 0.982575 C\n0.250000 0.220865 0.517426 C\n0.750000 0.279136 0.017426 C\n0.750000 0.779136 0.482574 C\n",
"nsites": 16,
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"elements": [
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"density": 8.772344968749199,
"density_atomic": 0.07577024898506912,
"volume": 211.16467497886768,
"volume_molar": 7.947896226639946,
"formula_full": "Tb4 Mo4 C8",
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{
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"created_at": "2022-09-04T14:38:33.629077Z",
"updated_at": "2022-09-04T14:38:33.629098Z",
"structure_string": "Tb2 Mo2 Cl2 O8\n1.0\n6.114687 0.002204 1.510404\n1.780334 5.849772 1.510404\n0.012631 0.009363 6.866626\nTb Mo Cl O\n2 2 2 8\ndirect\n0.221773 0.221772 0.890793 Tb\n0.778227 0.778227 0.109208 Tb\n0.362515 0.362514 0.269681 Mo\n0.637485 0.637484 0.730318 Mo\n0.009247 0.009247 0.238323 Cl\n0.990753 0.990752 0.761676 Cl\n0.294499 0.294498 0.535222 O\n0.509995 0.888366 0.846687 O\n0.705501 0.705500 0.464778 O\n0.458477 0.458477 0.797477 O\n0.111633 0.490004 0.153312 O\n0.888367 0.509994 0.846687 O\n0.490005 0.111633 0.153312 O\n0.541523 0.541522 0.202523 O\n",
"nsites": 14,
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"elements": [
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"density": 4.794757615444146,
"density_atomic": 0.05704596052248157,
"volume": 245.41614992147709,
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"formula_full": "Tb2 Mo2 Cl2 O8",
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"formula_anonymous": "ABCD4",
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},
{
"id": "jvasp-56686",
"created_at": "2022-09-04T14:37:54.441162Z",
"updated_at": "2022-09-04T14:37:54.441179Z",
"structure_string": "Tb4 Mo4 O16 F4\n1.0\n0.000000 5.235182 0.002834\n12.351005 0.000000 0.000000\n0.000000 -2.622575 -6.174311\nTb Mo O F\n4 4 16 4\ndirect\n0.638780 0.551344 0.299900 Tb\n0.361220 0.448657 0.700100 Tb\n0.638781 0.948657 0.799900 Tb\n0.361220 0.051343 0.200100 Tb\n0.076504 0.143830 0.628894 Mo\n0.076503 0.356170 0.128894 Mo\n0.923497 0.856171 0.371106 Mo\n0.923497 0.643830 0.871106 Mo\n0.306440 0.434173 0.038311 O\n0.238340 0.654297 0.092491 O\n0.189756 0.276953 0.706194 O\n0.693560 0.934173 0.461690 O\n0.995129 0.930559 0.164342 O\n0.995130 0.569441 0.664342 O\n0.238340 0.845704 0.592491 O\n0.693560 0.565827 0.961690 O\n0.810245 0.723048 0.293806 O\n0.761660 0.154297 0.407510 O\n0.189755 0.223048 0.206195 O\n0.810245 0.776953 0.793806 O\n0.306441 0.065827 0.538311 O\n0.761661 0.345704 0.907509 O\n0.004871 0.430559 0.335659 O\n0.004871 0.069441 0.835659 O\n0.451652 0.900276 0.036116 F\n0.548348 0.400276 0.463884 F\n0.548349 0.099724 0.963884 F\n0.451653 0.599724 0.536116 F\n",
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},
{
"id": "jvasp-122514",
"created_at": "2022-09-04T14:38:54.266052Z",
"updated_at": "2022-09-04T14:38:54.266081Z",
"structure_string": "Tb4 Mo4 O16 F4\n1.0\n12.328053 0.000000 0.000000\n-0.000000 4.810471 2.045614\n-0.000000 -0.005842 6.699575\nTb Mo O F\n4 4 16 4\ndirect\n0.551286 0.638501 0.699983 Tb\n0.448713 0.361500 0.300015 Tb\n0.948713 0.638501 0.199984 Tb\n0.051286 0.361500 0.800015 Tb\n0.143964 0.075747 0.371464 Mo\n0.356036 0.075747 0.871464 Mo\n0.856036 0.924253 0.628534 Mo\n0.643964 0.924253 0.128535 Mo\n0.434209 0.306224 0.961694 O\n0.654838 0.238979 0.907319 O\n0.277016 0.189770 0.293349 O\n0.934209 0.693777 0.538305 O\n0.930450 0.995162 0.835771 O\n0.569550 0.995162 0.335771 O\n0.845162 0.238979 0.407319 O\n0.565791 0.693777 0.038305 O\n0.722984 0.810231 0.706649 O\n0.154838 0.761021 0.592679 O\n0.222984 0.189770 0.793349 O\n0.777016 0.810230 0.206650 O\n0.065791 0.306223 0.461694 O\n0.345162 0.761021 0.092680 O\n0.430450 0.004839 0.664227 O\n0.069550 0.004838 0.164227 O\n0.900076 0.449995 0.964751 F\n0.400076 0.550005 0.535247 F\n0.099924 0.550005 0.035248 F\n0.599923 0.449995 0.464751 F\n",
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{
"id": "jvasp-7986",
"created_at": "2022-09-04T14:37:00.529738Z",
"updated_at": "2022-09-04T14:37:00.529761Z",
"structure_string": "Tb1 N1\n1.0\n3.022482 0.000000 1.745030\n1.007494 2.849623 1.745030\n0.000000 0.000000 3.490062\nTb N\n1 1\ndirect\n0.499999 0.499999 0.500000 Tb\n0.000000 0.000000 0.000000 N\n",
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"volume": 30.05967444468005,
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"formula_full": "Tb1 N1",
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"formula_anonymous": "AB",
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"spacegroup": 225
},
{
"id": "jvasp-11002",
"created_at": "2022-09-04T14:37:04.487299Z",
"updated_at": "2022-09-04T14:37:04.487334Z",
"structure_string": "Tb2 Nb2 O8\n1.0\n4.809181 0.013055 -1.832949\n-1.217897 4.806704 -2.021488\n-0.023860 0.001304 6.593087\nTb Nb O\n2 2 8\ndirect\n0.878648 0.128647 0.757297 Tb\n0.121351 0.871351 0.242702 Tb\n0.356811 0.606810 0.713624 Nb\n0.643187 0.393187 0.286375 Nb\n0.289223 0.128719 0.077366 O\n0.788142 0.448645 0.077365 O\n0.710776 0.871279 0.922634 O\n0.211856 0.551352 0.922635 O\n0.509971 0.716131 0.436720 O\n0.926748 0.220587 0.436720 O\n0.490028 0.283866 0.563279 O\n0.073250 0.779410 0.563279 O\n",
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{
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"structure_string": "Tb2 Nb2 O8\n1.0\n-3.665118 3.665118 3.361839\n3.665118 -3.665118 3.361839\n3.665118 3.665118 -3.361839\nTb Nb O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.250000 0.500000 Tb\n0.500000 0.500000 0.000000 Nb\n0.250000 0.750000 0.500000 Nb\n0.508841 0.316538 0.192302 O\n0.683462 0.875765 0.192302 O\n0.066538 0.374236 0.307698 O\n0.683462 0.491159 0.807699 O\n0.124236 0.316539 0.807699 O\n0.241159 0.933462 0.307698 O\n0.625765 0.933462 0.692302 O\n0.066538 0.758842 0.692302 O\n",
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{
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"created_at": "2022-09-04T14:35:56.696726Z",
"updated_at": "2022-09-04T14:35:56.696751Z",
"structure_string": "Tb2 Nb2 O8\n1.0\n5.160119 0.257375 -0.002855\n0.277811 5.368371 -0.002470\n0.002759 0.002376 5.476723\nTb Nb O\n2 2 8\ndirect\n0.999998 0.741927 0.741308 Tb\n1.000001 0.241921 0.258638 Tb\n0.499993 0.741931 0.203739 Nb\n0.500002 0.241918 0.796206 Nb\n0.737238 0.972661 0.058136 O\n0.251901 0.897030 0.423880 O\n0.748119 0.586826 0.423864 O\n0.262756 0.511187 0.058141 O\n0.251890 0.397030 0.576074 O\n0.737236 0.472664 0.941802 O\n0.748111 0.086828 0.576074 O\n0.262757 0.011189 0.941812 O\n",
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{
"id": "jvasp-120409",
"created_at": "2022-09-04T14:38:49.851700Z",
"updated_at": "2022-09-04T14:38:49.851733Z",
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"volume": 281.2076030065912,
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"formula_full": "Tb1 Nb6 Sn6",
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}
]
}