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{
"id": "jvasp-110283",
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"structure_string": "Ba1 La1 Ti1 Cu1 O6\n1.0\n4.850076 -0.000000 2.800193\n1.616692 4.572695 2.800193\n-0.000000 -0.000000 5.600385\nBa La Ti Cu O\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500001 0.500000 La\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750001 0.750000 Cu\n0.003178 0.496822 0.496822 O\n0.496822 0.003179 0.003178 O\n0.003178 0.496822 0.003178 O\n0.496822 0.003179 0.496821 O\n0.496822 0.496822 0.003178 O\n0.003179 0.003179 0.496822 O\n",
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{
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{
"id": "jvasp-110281",
"created_at": "2022-09-04T14:37:52.971734Z",
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"structure_string": "Ca1 Lu2 Te4\n1.0\n4.326893 0.000000 0.000000\n-0.000000 7.048648 2.252276\n0.000000 0.025418 7.640268\nCa Lu Te\n1 2 4\ndirect\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.000000 Lu\n0.500000 0.762197 0.242935 Te\n0.000000 0.252882 0.237347 Te\n0.500000 0.237803 0.757065 Te\n0.000000 0.747119 0.762654 Te\n",
"nsites": 7,
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"volume": 232.77088324972235,
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"formula_full": "Ca1 Lu2 Te4",
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{
"id": "jvasp-110280",
"created_at": "2022-09-04T14:38:37.106993Z",
"updated_at": "2022-09-04T14:38:37.107001Z",
"structure_string": "Bi2 Sb2 Te3\n1.0\n4.420726 0.021311 13.577788\n2.172392 3.850193 13.577788\n0.036293 0.021311 14.279280\nBi Sb Te\n2 2 3\ndirect\n0.853592 0.853590 0.853593 Bi\n0.146408 0.146408 0.146409 Bi\n0.712737 0.712735 0.712737 Sb\n0.287264 0.287263 0.287264 Sb\n0.580585 0.580583 0.580585 Te\n0.419416 0.419415 0.419416 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 7,
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"formula_full": "Bi2 Sb2 Te3",
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"formula_anonymous": "A2B2C3",
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"spacegroup": 166
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{
"id": "jvasp-11028",
"created_at": "2022-09-04T14:37:09.205925Z",
"updated_at": "2022-09-04T14:37:09.205934Z",
"structure_string": "Ca2 Mn4 O8\n1.0\n2.899159 0.001017 0.000382\n1.447083 7.558175 -0.031397\n1.447614 2.632365 7.807724\nCa Mn O\n2 4 8\ndirect\n0.609223 0.934208 0.843779 Ca\n0.392379 0.034100 0.177687 Ca\n0.415040 0.354292 0.812249 Mn\n0.838645 0.774453 0.544728 Mn\n0.162966 0.193872 0.476729 Mn\n0.586582 0.614002 0.209204 Mn\n0.132933 0.446975 0.283563 O\n0.575291 0.226027 0.619912 O\n0.426313 0.742301 0.401537 O\n0.868700 0.521318 0.737875 O\n0.942627 0.174997 0.936377 O\n0.234971 0.865519 0.661008 O\n0.058992 0.793291 0.085083 O\n0.766636 0.102816 0.360438 O\n",
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{
"id": "jvasp-110279",
"created_at": "2022-09-04T14:38:16.335123Z",
"updated_at": "2022-09-04T14:38:16.335151Z",
"structure_string": "Bi2 Te4 Pb1\n1.0\n4.449321 0.007022 13.827604\n2.175713 3.881079 13.827604\n0.011965 0.007022 14.525803\nBi Te Pb\n2 4 1\ndirect\n0.428648 0.428648 0.428648 Bi\n0.000507 0.000507 0.000507 Bi\n0.862946 0.862945 0.862945 Te\n0.134681 0.134681 0.134681 Te\n0.712359 0.712358 0.712358 Te\n0.292758 0.292757 0.292757 Te\n0.568102 0.568101 0.568102 Pb\n",
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{
"id": "jvasp-110277",
"created_at": "2022-09-04T14:37:52.577011Z",
"updated_at": "2022-09-04T14:37:52.577038Z",
"structure_string": "Be1 Si1 N2\n1.0\n2.891322 -0.000000 0.000000\n-1.445660 2.503958 0.000000\n-0.000000 -0.000000 4.707158\nBe Si N\n1 1 2\ndirect\n0.333333 0.666667 0.518063 Be\n0.666666 0.333334 0.982245 Si\n0.333333 0.666667 0.125308 N\n0.666666 0.333334 0.624385 N\n",
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{
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"created_at": "2022-09-04T14:37:57.119935Z",
"updated_at": "2022-09-04T14:37:57.119945Z",
"structure_string": "Ca2 Mn2 O4\n1.0\n3.284809 0.000000 -0.000000\n-0.000001 5.341069 -1.856733\n0.000000 0.018953 5.654566\nCa Mn O\n2 2 4\ndirect\n0.000000 0.250000 0.750000 Ca\n0.000000 0.750000 0.250000 Ca\n0.500000 0.749998 0.750000 Mn\n0.500000 0.250001 0.250000 Mn\n0.000000 0.000000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000001 O\n0.500000 0.000001 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:37:55.558580Z",
"updated_at": "2022-09-04T14:37:55.558604Z",
"structure_string": "Ca4 Zn1 Ag3\n1.0\n4.045967 -0.000000 0.000000\n0.000000 4.595346 0.000000\n-0.000000 -0.000000 11.290923\nCa Zn Ag\n4 1 3\ndirect\n0.500000 0.500000 0.142295 Ca\n-0.000000 0.500000 0.642485 Ca\n0.000000 0.000000 0.358000 Ca\n0.500000 0.000000 0.858110 Ca\n0.500000 0.500000 0.427189 Zn\n-0.000000 0.500000 0.922121 Ag\n0.000000 0.000000 0.078334 Ag\n0.500000 0.000000 0.571466 Ag\n",
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{
"id": "jvasp-110273",
"created_at": "2022-09-04T14:37:54.984424Z",
"updated_at": "2022-09-04T14:37:54.984444Z",
"structure_string": "Cd3 P1 I3\n1.0\n4.482305 -0.000000 0.000000\n0.000000 7.369227 0.104456\n0.000000 -0.024778 7.712036\nCd P I\n3 1 3\ndirect\n-0.000000 0.467243 0.695713 Cd\n0.499999 0.503078 0.114198 Cd\n0.499999 0.040150 0.860317 Cd\n0.499999 0.377458 0.815110 P\n-0.000000 0.875586 0.662288 I\n0.499999 0.876997 0.196645 I\n-0.000000 0.351491 0.322397 I\n",
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{
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"created_at": "2022-09-04T14:38:16.642768Z",
"updated_at": "2022-09-04T14:38:16.642787Z",
"structure_string": "Ce2 Fe1 Si3\n1.0\n4.043833 -0.000000 0.000000\n-2.021917 3.502062 0.000000\n0.000000 0.000000 8.182770\nCe Fe Si\n2 1 3\ndirect\n0.666666 0.333333 0.236707 Ce\n0.666666 0.333333 0.763293 Ce\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Si\n0.333332 0.666666 -0.000000 Si\n0.333332 0.666666 0.500000 Si\n",
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{
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"created_at": "2022-09-04T14:38:16.538882Z",
"updated_at": "2022-09-04T14:38:16.538912Z",
"structure_string": "Ce2 Si4 Os1 Ru3\n1.0\n4.215566 0.000000 0.000000\n0.000000 4.215566 0.000000\n0.000000 0.000000 9.720905\nCe Si Os Ru\n2 4 1 3\ndirect\n0.500001 0.000000 0.750089 Ce\n-0.000000 0.500001 0.249910 Ce\n-0.000000 0.500001 0.881251 Si\n0.500001 0.000000 0.382861 Si\n0.500001 0.000000 0.118748 Si\n-0.000000 0.500001 0.617139 Si\n0.500001 0.500001 -0.000000 Os\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500001 0.500000 Ru\n",
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