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"id": "jvasp-64023",
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"structure_string": "Ba1 Te1 Cl1\n1.0\n0.000000 3.942556 3.942556\n3.942556 0.000000 3.942556\n3.942556 3.942556 0.000000\nBa Te Cl\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Cl\n",
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{
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"structure_string": "Ba4 Hf1 Se1\n1.0\n-0.000000 4.967546 4.967546\n4.967546 0.000000 4.967546\n4.967546 4.967546 -0.000000\nBa Hf Se\n4 1 1\ndirect\n0.124193 0.625269 0.625269 Ba\n0.625269 0.625269 0.625269 Ba\n0.625269 0.124193 0.625269 Ba\n0.625269 0.625269 0.124193 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
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"elements": [
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"formula_full": "Ba4 Hf1 Se1",
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{
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"updated_at": "2022-09-04T14:36:21.433563Z",
"structure_string": "Ba4 Zn1 Ge1\n1.0\n-0.000000 4.967835 4.967835\n4.967835 -0.000000 4.967835\n4.967835 4.967835 0.000000\nBa Zn Ge\n4 1 1\ndirect\n0.128081 0.623973 0.623973 Ba\n0.623973 0.623973 0.623973 Ba\n0.623973 0.128081 0.623973 Ba\n0.623973 0.623973 0.128081 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Ge\n",
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{
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"created_at": "2022-09-04T14:36:11.857117Z",
"updated_at": "2022-09-04T14:36:11.857135Z",
"structure_string": "Ba4 Tl1 Co1\n1.0\n-0.000000 4.968351 4.968351\n4.968351 -0.000000 4.968351\n4.968351 4.968351 -0.000000\nBa Tl Co\n4 1 1\ndirect\n0.124972 0.625009 0.625009 Ba\n0.625009 0.625009 0.625009 Ba\n0.625009 0.124972 0.625009 Ba\n0.625009 0.625009 0.124972 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Co\n",
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{
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"created_at": "2022-09-04T14:37:05.955218Z",
"updated_at": "2022-09-04T14:37:05.955239Z",
"structure_string": "K1 Na2 Cd1\n1.0\n-12.251457 0.000001 -7.073382\n-7.902063 0.135020 -0.459990\n-6.781489 3.304482 -2.400881\nK Na Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.718792 0.000001 -0.000000 Na\n0.281207 0.000000 -0.000000 Na\n0.500000 0.000000 -0.000000 Cd\n",
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{
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"structure_string": "Ba4 Nb1 Hg1\n1.0\n-0.000000 4.968883 4.968883\n4.968883 0.000000 4.968883\n4.968883 4.968883 -0.000000\nBa Nb Hg\n4 1 1\ndirect\n0.125039 0.624987 0.624987 Ba\n0.624987 0.624987 0.624987 Ba\n0.624987 0.125039 0.624987 Ba\n0.624987 0.624987 0.125039 Ba\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Hg\n",
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"spacegroup": 216
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{
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"created_at": "2022-09-04T14:38:20.420340Z",
"updated_at": "2022-09-04T14:38:20.420352Z",
"structure_string": "K6 Bi4\n1.0\n6.627695 -0.009893 1.245215\n-0.517498 6.607468 1.245215\n-0.063639 -0.068715 9.313486\nK Bi\n6 4\ndirect\n0.652064 0.759797 0.513269 K\n0.347936 0.240204 0.486733 K\n0.240203 0.347937 0.986733 K\n0.759797 0.652064 0.013269 K\n0.847447 0.152554 0.750001 K\n0.152553 0.847447 0.250001 K\n0.325827 0.887866 0.847900 Bi\n0.674173 0.112136 0.152101 Bi\n0.112135 0.674174 0.652101 Bi\n0.887865 0.325828 0.347900 Bi\n",
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{
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"created_at": "2022-09-04T14:36:36.151892Z",
"updated_at": "2022-09-04T14:36:36.151916Z",
"structure_string": "K2 Rb1 Tl1 Br6\n1.0\n7.215757 -0.000000 4.166019\n2.405252 6.803081 4.166019\n-0.000000 -0.000000 8.332039\nK Rb Tl Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Tl\n0.766522 0.233478 0.233478 Br\n0.233478 0.233478 0.766522 Br\n0.233478 0.766522 0.766522 Br\n0.233478 0.766522 0.233478 Br\n0.766522 0.233478 0.766522 Br\n0.766522 0.766522 0.233478 Br\n",
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{
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"structure_string": "Ba4 Hf1 Ga1\n1.0\n0.000000 4.969229 4.969229\n4.969229 0.000000 4.969229\n4.969229 4.969229 -0.000000\nBa Hf Ga\n4 1 1\ndirect\n0.125475 0.624841 0.624841 Ba\n0.624841 0.624841 0.624841 Ba\n0.624841 0.125475 0.624841 Ba\n0.624841 0.624841 0.125475 Ba\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.250000 Ga\n",
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