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"structure_string": "Ba1 Mo1 Se1\n1.0\n0.000000 3.856151 3.856151\n3.856151 0.000000 3.856151\n3.856151 3.856151 0.000000\nBa Mo Se\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 Se\n",
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{
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"structure_string": "Ba1 Mo1 Se4\n1.0\n-0.000000 4.256096 4.256096\n4.256096 -0.000000 4.256096\n4.256096 4.256096 0.000000\nBa Mo Se\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Mo\n0.122415 0.625862 0.625862 Se\n0.625862 0.625862 0.625862 Se\n0.625862 0.122415 0.625862 Se\n0.625862 0.625862 0.122415 Se\n",
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"created_at": "2022-09-04T14:38:03.722647Z",
"updated_at": "2022-09-04T14:38:03.722674Z",
"structure_string": "Ba1 N1\n1.0\n-2.851347 -2.851347 -0.000000\n-2.851347 -0.000000 -2.851347\n-0.000000 -2.851347 -2.851347\nBa N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500001 0.500001 0.500001 N\n",
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{
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"created_at": "2022-09-04T14:35:58.986628Z",
"updated_at": "2022-09-04T14:35:58.986642Z",
"structure_string": "Ba2 N4\n1.0\n4.130678 -0.009709 0.928725\n1.753183 3.740179 0.928725\n0.000645 0.000408 7.297257\nBa N\n2 4\ndirect\n0.796479 0.203522 0.249999 Ba\n0.203522 0.796479 0.750000 Ba\n0.150446 0.442804 0.454636 N\n0.557196 0.849554 0.045363 N\n0.442805 0.150447 0.954636 N\n0.849554 0.557196 0.545363 N\n",
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"structure_string": "Ba2 N4\n1.0\n4.130800 -0.009802 0.928765\n1.753151 3.740330 0.928765\n0.000651 0.000412 7.297545\nBa N\n2 4\ndirect\n0.796509 0.203491 0.249999 Ba\n0.203491 0.796509 0.749999 Ba\n0.150445 0.442792 0.454644 N\n0.557208 0.849556 0.045355 N\n0.442791 0.150445 0.954644 N\n0.849555 0.557209 0.545354 N\n",
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{
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"created_at": "2022-09-04T14:37:07.571224Z",
"updated_at": "2022-09-04T14:37:07.571251Z",
"structure_string": "Ba2 N6 Cl2\n1.0\n0.000000 5.637489 0.012328\n4.507333 0.000000 0.000000\n0.000000 -1.616985 -7.658645\nBa N Cl\n2 6 2\ndirect\n0.681187 0.250000 0.762707 Ba\n0.318814 0.750000 0.237293 Ba\n0.358712 0.750000 0.621805 N\n0.054453 0.250000 0.357955 N\n0.151172 0.750000 0.632844 N\n0.945548 0.750000 0.642046 N\n0.848829 0.250000 0.367157 N\n0.641289 0.250000 0.378196 N\n0.235994 0.250000 0.945072 Cl\n0.764007 0.750000 0.054928 Cl\n",
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"formula_full": "Ba2 N6 Cl2",
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"spacegroup": 11
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{
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"created_at": "2022-09-04T14:37:28.166065Z",
"updated_at": "2022-09-04T14:37:28.166089Z",
"structure_string": "Ba2 N12\n1.0\n0.000000 5.490626 0.020113\n4.361468 0.000000 0.000000\n0.000000 -1.569629 -9.562635\nBa N\n2 12\ndirect\n0.169981 0.750000 0.216921 Ba\n0.830020 0.250000 0.783079 Ba\n0.707046 0.750000 0.332497 N\n0.292954 0.250000 0.667503 N\n0.859590 0.250000 0.095642 N\n0.140411 0.750000 0.904358 N\n0.647275 0.250000 0.106796 N\n0.352726 0.750000 0.893204 N\n0.436276 0.250000 0.115413 N\n0.563724 0.750000 0.884586 N\n0.224629 0.250000 0.419454 N\n0.775371 0.750000 0.580545 N\n0.258606 0.250000 0.543591 N\n0.741394 0.750000 0.456408 N\n",
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{
"id": "jvasp-10876",
"created_at": "2022-09-04T14:36:32.176366Z",
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{
"id": "jvasp-69359",
"created_at": "2022-09-04T14:35:49.693742Z",
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"structure_string": "Ba1 Na2 Ca1\n1.0\n4.423358 0.000000 0.000000\n-0.000000 4.419967 0.000000\n0.000000 0.000000 8.845214\nBa Na Ca\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.723953 Na\n0.000000 0.000000 0.276047 Na\n0.500000 0.500000 0.500000 Ca\n",
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"structure_string": "Ba1 Na2 Cd1\n1.0\n4.221413 0.000000 0.000000\n0.000000 4.222173 0.000000\n0.000000 0.000000 8.137237\nBa Na Cd\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.689398 Na\n0.000000 0.000000 0.310602 Na\n0.500000 0.500000 0.500000 Cd\n",
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