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{
"id": "jvasp-119233",
"created_at": "2022-09-04T14:38:27.820782Z",
"updated_at": "2022-09-04T14:38:27.820808Z",
"structure_string": "Zn8 Fe3 N8\n1.0\n10.326353 -0.047850 3.816967\n0.586841 3.384025 -0.000000\n0.178175 -0.030898 7.826872\nZn Fe N\n8 3 8\ndirect\n0.110403 0.944800 0.699320 Zn\n0.889596 0.055201 0.300680 Zn\n0.638729 0.680636 0.511279 Zn\n0.361270 0.319364 0.488722 Zn\n0.836568 0.581715 0.888033 Zn\n0.163431 0.418286 0.111967 Zn\n0.600076 0.199961 0.852213 Zn\n0.399923 0.800039 0.147788 Zn\n0.632548 0.183726 0.198941 Fe\n0.367451 0.816275 0.801060 Fe\n-0.000000 0.500000 0.500000 Fe\n0.260472 0.869765 0.039802 N\n0.739528 0.130235 0.960199 N\n0.308386 0.845808 0.613489 N\n0.691614 0.154193 0.386511 N\n0.539967 0.730017 0.784957 N\n0.460032 0.269984 0.215044 N\n0.021902 0.489050 0.725154 N\n0.978097 0.510951 0.274846 N\n",
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{
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"structure_string": "Li2 Fe3 Cu1 O8\n1.0\n5.850943 0.121731 0.086077\n3.030894 5.006200 0.086077\n3.030894 1.749888 4.691198\nLi Fe Cu O\n2 3 1 8\ndirect\n0.124263 0.124263 0.124263 Li\n0.875735 0.875737 0.875739 Li\n-0.000001 0.500000 0.500001 Fe\n0.499999 -0.000000 0.500001 Fe\n0.499999 0.500000 0.000001 Fe\n0.499999 0.500000 0.500001 Cu\n0.263229 0.263230 0.263231 O\n0.252306 0.252307 0.712238 O\n0.252306 0.712238 0.252308 O\n0.712237 0.252306 0.252308 O\n0.287761 0.747693 0.747694 O\n0.747692 0.287762 0.747694 O\n0.747692 0.747693 0.287764 O\n0.736768 0.736770 0.736771 O\n",
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{
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"created_at": "2022-09-04T14:37:10.491105Z",
"updated_at": "2022-09-04T14:37:10.491133Z",
"structure_string": "Li4 Ti3 O8\n1.0\n2.923088 -5.093325 0.000000\n2.915919 5.058913 -0.024280\n0.000000 -3.385451 4.798451\nLi Ti O\n4 3 8\ndirect\n0.125001 0.875000 0.625000 Li\n0.125001 0.875000 0.125000 Li\n0.625001 0.875000 0.625000 Li\n0.625001 0.875000 0.125000 Li\n0.125000 0.375000 0.625000 Ti\n0.625001 0.375000 0.625000 Ti\n0.625001 0.375000 0.125000 Ti\n0.378608 0.135822 0.378608 O\n0.409445 0.149206 0.869880 O\n0.380120 0.600794 0.840555 O\n0.380120 0.600794 0.380119 O\n0.869881 0.149206 0.869880 O\n0.869881 0.149206 0.409445 O\n0.840556 0.600794 0.380119 O\n0.871393 0.614178 0.871392 O\n",
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"volume": 141.98279534901653,
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"spacegroup": 166
},
{
"id": "jvasp-111545",
"created_at": "2022-09-04T14:38:41.058447Z",
"updated_at": "2022-09-04T14:38:41.058481Z",
"structure_string": "Mg6 Bi4 N8\n1.0\n7.071286 0.005265 -0.948515\n-7.672763 7.040397 0.000000\n0.011437 0.012464 5.446830\nMg Bi N\n6 4 8\ndirect\n0.220999 0.029801 0.142879 Mg\n0.779003 0.808803 0.357123 Mg\n0.779003 0.970200 0.857122 Mg\n0.220999 0.191198 0.642879 Mg\n0.000000 0.726055 0.750000 Mg\n0.000000 0.273945 0.250000 Mg\n0.645711 0.439147 0.195394 Bi\n0.354292 0.793438 0.304607 Bi\n0.645710 0.206563 0.695394 Bi\n0.354291 0.560853 0.804607 Bi\n0.359970 0.783756 0.884433 N\n0.186999 0.971879 0.532686 N\n0.813004 0.784881 0.967315 N\n0.813003 0.028122 0.467315 N\n0.186998 0.215120 0.032686 N\n0.640032 0.216244 0.115569 N\n0.359970 0.576213 0.384433 N\n0.640032 0.423787 0.615568 N\n",
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"id": "jvasp-88673",
"created_at": "2022-09-04T14:35:48.689202Z",
"updated_at": "2022-09-04T14:35:48.689218Z",
"structure_string": "Fe8 P4 O16 F4\n1.0\n6.108023 0.000000 2.251324\n2.569174 6.386762 2.441065\n-0.008245 0.004985 9.433811\nFe P O F\n8 4 16 4\ndirect\n0.844437 0.387231 0.988016 Fe\n0.155563 0.612769 0.011982 Fe\n0.280313 0.887232 0.488017 Fe\n0.762752 0.543420 0.639565 Fe\n0.554260 0.043422 0.139565 Fe\n0.237248 0.456580 0.360434 Fe\n0.445741 0.956578 0.860433 Fe\n0.719686 0.112767 0.511982 Fe\n0.270382 0.461352 0.692742 P\n0.924476 0.038647 0.807258 P\n0.729619 0.538648 0.307257 P\n0.075525 0.961352 0.192743 P\n0.890722 0.463887 0.420489 O\n0.433401 0.228055 0.698278 O\n0.109279 0.536112 0.579511 O\n0.566598 0.771944 0.301722 O\n0.859735 0.271944 0.801722 O\n0.140265 0.728056 0.198277 O\n0.847035 0.100910 0.133039 O\n0.580986 0.399090 0.366960 O\n0.152965 0.899089 0.866959 O\n0.419014 0.600910 0.633039 O\n0.035391 0.988997 0.357042 O\n0.275096 0.036113 0.079511 O\n0.964610 0.011001 0.642958 O\n0.118572 0.488998 0.857042 O\n0.724904 0.963885 0.920487 O\n0.881429 0.511000 0.142958 O\n0.374853 0.137968 0.394493 F\n0.407315 0.362032 0.105506 F\n0.625146 0.862031 0.605506 F\n0.592686 0.637966 0.894494 F\n",
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"formula_full": "Fe8 P4 O16 F4",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 15
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{
"id": "jvasp-11996",
"created_at": "2022-09-04T14:36:44.109587Z",
"updated_at": "2022-09-04T14:36:44.109605Z",
"structure_string": "Hf2 Si2 Te2\n1.0\n3.678745 -0.000000 -0.000000\n-0.000000 3.678745 0.000000\n-0.000000 -0.000000 10.018341\nHf Si Te\n2 2 2\ndirect\n0.750001 0.750001 0.789926 Hf\n0.250000 0.250000 0.210074 Hf\n0.750001 0.250000 0.000000 Si\n0.250000 0.750001 0.000000 Si\n0.250000 0.250000 0.653093 Te\n0.750001 0.750001 0.346907 Te\n",
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"formula_full": "Hf2 Si2 Te2",
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},
{
"id": "jvasp-17279",
"created_at": "2022-09-04T14:38:30.779268Z",
"updated_at": "2022-09-04T14:38:30.779294Z",
"structure_string": "Hf2 Si2 Te2\n1.0\n3.678736 -0.000000 -0.000000\n-0.000000 3.678736 0.000000\n-0.000000 0.000000 10.018290\nHf Si Te\n2 2 2\ndirect\n0.500000 0.000000 0.789925 Hf\n0.000000 0.500000 0.210075 Hf\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.653092 Te\n0.500000 0.000000 0.346908 Te\n",
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},
{
"id": "jvasp-9188",
"created_at": "2022-09-04T14:38:05.415976Z",
"updated_at": "2022-09-04T14:38:05.415997Z",
"structure_string": "Ba2 Ti3 Al1 O7\n1.0\n3.908989 0.000000 0.000000\n0.000000 3.979122 0.000000\n0.000000 0.000000 11.364468\nBa Ti Al O\n2 3 1 7\ndirect\n0.500000 0.500000 0.817397 Ba\n0.500000 0.500000 0.182602 Ba\n0.000000 0.000000 0.624620 Ti\n0.000000 0.000000 0.375380 Ti\n0.000000 0.000000 -0.000001 Ti\n0.500000 0.500000 0.500001 Al\n0.000000 0.500000 -0.000000 O\n0.500000 0.000000 0.619714 O\n0.500000 0.000000 0.380286 O\n0.000000 0.500000 0.618033 O\n0.000000 0.500000 0.381967 O\n0.000000 0.000000 0.826982 O\n0.000000 0.000000 0.173019 O\n",
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{
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{
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"structure_string": "Ba2 Y1 Co3 O7\n1.0\n3.892817 0.000000 0.000000\n0.000000 3.879405 0.000000\n0.000000 0.000000 11.308145\nBa Y Co O\n2 1 3 7\ndirect\n0.500000 0.499999 0.820456 Ba\n0.500000 0.499999 0.179544 Ba\n0.500000 0.499999 0.500000 Y\n0.000000 0.000000 0.650294 Co\n0.000000 0.000000 0.349706 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.499999 0.000000 O\n0.500000 0.000000 0.625959 O\n0.500000 0.000000 0.374042 O\n0.000000 0.499999 0.625524 O\n0.000000 0.499999 0.374476 O\n0.000000 0.000000 0.835274 O\n0.000000 0.000000 0.164726 O\n",
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"structure_string": "Mn3 Zn2 O8\n1.0\n4.817736 0.213767 -1.107927\n-0.838413 4.982996 -2.684341\n0.279441 -0.189557 5.658965\nMn Zn O\n3 2 8\ndirect\n0.500001 1.000000 0.000001 Mn\n0.000000 0.744844 0.000000 Mn\n0.000000 0.255157 0.000000 Mn\n0.599442 0.707503 0.415004 Zn\n0.400559 0.292498 0.584995 Zn\n0.097668 0.393827 0.787655 O\n0.902334 0.606173 0.212344 O\n0.130401 0.899065 0.798130 O\n0.869600 0.100935 0.201870 O\n0.365701 0.341500 0.228807 O\n0.365702 0.887309 0.228808 O\n0.634300 0.112692 0.771192 O\n0.634300 0.658501 0.771192 O\n",
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}
]
}