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"id": "jvasp-66218",
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{
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"structure_string": "K1 P1\n1.0\n0.000000 -4.676843 0.000000\n3.504766 -2.338421 -2.046650\n3.091621 -2.338421 2.622611\nK P\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.499999 0.500000 0.500000 P\n",
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{
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"structure_string": "K3 Sc1 Br6\n1.0\n6.933637 -0.000000 4.003137\n2.311212 6.537096 4.003137\n-0.000000 -0.000000 8.006274\nK Sc Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Sc\n0.767398 0.232602 0.232602 Br\n0.232602 0.232602 0.767398 Br\n0.232601 0.767399 0.767398 Br\n0.232601 0.767399 0.232602 Br\n0.767398 0.232602 0.767398 Br\n0.767398 0.767399 0.232602 Br\n",
"nsites": 10,
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"formula_full": "K3 Sc1 Br6",
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{
"id": "jvasp-65685",
"created_at": "2022-09-04T14:36:06.203567Z",
"updated_at": "2022-09-04T14:36:06.203582Z",
"structure_string": "Ba2 Li1 Zn1\n1.0\n-0.000000 4.171108 4.171108\n4.171108 -0.000000 4.171108\n4.171108 4.171108 -0.000000\nBa Li Zn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Zn\n",
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"density_atomic": 0.02755977647674573,
"volume": 145.1390581260738,
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{
"id": "jvasp-26394",
"created_at": "2022-09-04T14:37:26.980348Z",
"updated_at": "2022-09-04T14:37:26.980375Z",
"structure_string": "Ba4 I4 O2\n1.0\n6.873704 -0.000007 0.000135\n-0.000086 7.540426 0.000000\n-3.436538 -3.769851 7.000398\nBa I O\n4 4 2\ndirect\n0.594762 0.418484 0.189562 Ba\n0.405237 0.581516 0.810437 Ba\n0.905237 0.228931 0.810437 Ba\n0.094762 0.771069 0.189563 Ba\n0.649528 0.992377 0.299095 I\n0.149529 0.306714 0.299099 I\n0.850469 0.693286 0.700901 I\n0.350470 0.007623 0.700905 I\n0.750000 0.500001 0.000001 O\n0.249998 0.499999 -0.000002 O\n",
"nsites": 10,
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"elements": [
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"volume": 362.83872139577767,
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{
"id": "jvasp-106230",
"created_at": "2022-09-04T14:38:17.633960Z",
"updated_at": "2022-09-04T14:38:17.633981Z",
"structure_string": "Ba1 Eu3\n1.0\n5.255167 -0.000000 0.000000\n-0.000000 5.255167 0.000000\n-0.000000 0.000000 5.255167\nBa Eu\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.500000 0.500000 Eu\n0.500000 0.000000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n",
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{
"id": "jvasp-78396",
"created_at": "2022-09-04T14:37:08.678105Z",
"updated_at": "2022-09-04T14:37:08.678125Z",
"structure_string": "K1 P1\n1.0\n-2.625890 -2.338283 -3.083342\n2.625890 -2.338283 3.083342\n-2.041041 2.338283 3.512551\nK P\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n-0.000000 0.500000 0.500000 P\n",
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{
"id": "jvasp-1918",
"created_at": "2022-09-04T14:36:18.030545Z",
"updated_at": "2022-09-04T14:36:18.030558Z",
"structure_string": "Hg2 I2\n1.0\n4.609490 -0.000000 -1.798546\n-0.701762 4.555757 -1.798546\n0.030019 0.034997 6.883037\nHg I\n2 2\ndirect\n0.887738 0.887738 0.775473 Hg\n0.112263 0.112263 0.224527 Hg\n0.651285 0.651285 0.302568 I\n0.348716 0.348716 0.697432 I\n",
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"spacegroup": 139
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{
"id": "jvasp-65556",
"created_at": "2022-09-04T14:36:15.931193Z",
"updated_at": "2022-09-04T14:36:15.931214Z",
"structure_string": "Ba2 Pb1 Se1\n1.0\n0.000000 4.170866 4.170866\n4.170866 -0.000000 4.170866\n4.170866 4.170866 0.000000\nBa Pb Se\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Pb\n0.500001 0.500001 0.500001 Se\n",
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{
"id": "jvasp-65547",
"created_at": "2022-09-04T14:36:04.062533Z",
"updated_at": "2022-09-04T14:36:04.062550Z",
"structure_string": "Ba2 Mn1 In1\n1.0\n-0.000000 4.170835 4.170835\n4.170835 0.000000 4.170835\n4.170835 4.170835 0.000000\nBa Mn In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Mn\n0.000000 0.000000 0.000000 In\n",
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{
"id": "jvasp-102450",
"created_at": "2022-09-04T14:37:10.050711Z",
"updated_at": "2022-09-04T14:37:10.050728Z",
"structure_string": "Ac6 Zn2\n1.0\n7.645084 -0.000000 0.000000\n-3.822541 6.620838 0.000000\n-0.000000 -0.000000 5.733279\nAc Zn\n6 2\ndirect\n0.176666 0.353331 0.250000 Ac\n0.646669 0.823334 0.250000 Ac\n0.176666 0.823334 0.250000 Ac\n0.823334 0.646669 0.750000 Ac\n0.353331 0.176666 0.750000 Ac\n0.823333 0.176666 0.750000 Ac\n0.333333 0.666667 0.750000 Zn\n0.666666 0.333333 0.250000 Zn\n",
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{
"id": "jvasp-108849",
"created_at": "2022-09-04T14:38:09.486316Z",
"updated_at": "2022-09-04T14:38:09.486329Z",
"structure_string": "K2 Tl1 Hg1 Br6\n1.0\n6.932639 -0.000000 4.002561\n2.310880 6.536154 4.002561\n-0.000000 -0.000000 8.005122\nK Tl Hg Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Hg\n0.746317 0.253683 0.253683 Br\n0.253683 0.253683 0.746317 Br\n0.253683 0.746316 0.746317 Br\n0.253683 0.746316 0.253683 Br\n0.746317 0.253683 0.746317 Br\n0.746317 0.746316 0.253683 Br\n",
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"formula_full": "K2 Tl1 Hg1 Br6",
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