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{
"id": "jvasp-66090",
"created_at": "2022-09-04T14:35:40.898841Z",
"updated_at": "2022-09-04T14:35:40.898868Z",
"structure_string": "Ba4 Mg1 Os1\n1.0\n-0.000000 4.810686 4.810686\n4.810686 0.000000 4.810686\n4.810686 4.810686 -0.000000\nBa Mg Os\n4 1 1\ndirect\n0.121089 0.626304 0.626304 Ba\n0.626304 0.626304 0.626304 Ba\n0.626304 0.121089 0.626304 Ba\n0.626304 0.626304 0.121089 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Os\n",
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{
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"structure_string": "Pb1 I1 Br1\n1.0\n3.315226 0.000000 0.000000\n0.000000 3.315226 -0.000000\n0.000000 -0.000000 10.129580\nPb I Br\n1 1 1\ndirect\n0.000000 0.000000 0.759664 Pb\n0.000000 0.000000 0.419015 I\n0.000000 0.000000 0.037294 Br\n",
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{
"id": "jvasp-85533",
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"structure_string": "Ba6 Pb10\n1.0\n7.273578 0.013468 0.000000\n-1.483169 7.120768 -0.000000\n-0.000000 0.000000 11.458990\nBa Pb\n6 10\ndirect\n0.865035 0.865035 0.750000 Ba\n0.706882 0.293118 0.500000 Ba\n0.293118 0.706882 0.500000 Ba\n0.293118 0.706882 0.000000 Ba\n0.134966 0.134966 0.250000 Ba\n0.706882 0.293118 0.000000 Ba\n0.416335 0.013059 0.750000 Pb\n0.986941 0.583666 0.250000 Pb\n0.196630 0.196630 0.553978 Pb\n0.196630 0.196630 0.946022 Pb\n0.536790 0.536790 0.250000 Pb\n0.803371 0.803371 0.446022 Pb\n0.463210 0.463211 0.750000 Pb\n0.583665 0.986942 0.250000 Pb\n0.013059 0.416335 0.750000 Pb\n0.803371 0.803371 0.053978 Pb\n",
"nsites": 16,
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"elements": [
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"formula_full": "Ba6 Pb10",
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{
"id": "jvasp-104821",
"created_at": "2022-09-04T14:36:56.883462Z",
"updated_at": "2022-09-04T14:36:56.883481Z",
"structure_string": "Rb2 Na1 Pr1 Br6\n1.0\n6.985231 -0.000000 4.032925\n2.328410 6.585739 4.032925\n-0.000000 -0.000000 8.065850\nRb Na Pr Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Pr\n0.747607 0.252393 0.252394 Br\n0.252393 0.252393 0.747607 Br\n0.252393 0.747607 0.747607 Br\n0.252393 0.747607 0.252394 Br\n0.747607 0.252393 0.747607 Br\n0.747607 0.747607 0.252394 Br\n",
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"density": 3.64397324386725,
"density_atomic": 0.02695036000700394,
"volume": 371.0525572720057,
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"formula_full": "Rb2 Na1 Pr1 Br6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-7639",
"created_at": "2022-09-04T14:36:30.823967Z",
"updated_at": "2022-09-04T14:36:30.823976Z",
"structure_string": "K3 Sb1\n1.0\n5.146653 0.000000 2.971422\n1.715551 4.852311 2.971422\n-0.000000 -0.000000 5.942843\nK Sb\n3 1\ndirect\n0.500000 0.500000 0.500000 K\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.749999 K\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"volume": 148.41157482921676,
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"formula_full": "K3 Sb1",
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{
"id": "jvasp-66286",
"created_at": "2022-09-04T14:35:44.603800Z",
"updated_at": "2022-09-04T14:35:44.603833Z",
"structure_string": "Ba4 Ga1 Pt1\n1.0\n0.000000 4.810199 4.810199\n4.810199 0.000000 4.810199\n4.810199 4.810199 -0.000000\nBa Ga Pt\n4 1 1\ndirect\n0.123253 0.625583 0.625583 Ba\n0.625583 0.625583 0.625583 Ba\n0.625583 0.123253 0.625583 Ba\n0.625583 0.625583 0.123253 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Pt\n",
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"volume": 222.59690764630062,
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"formula_full": "Ba4 Ga1 Pt1",
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"spacegroup": 216
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{
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"created_at": "2022-09-04T14:36:08.094683Z",
"updated_at": "2022-09-04T14:36:08.094711Z",
"structure_string": "Ba4 Sb1 Rh1\n1.0\n0.000000 4.810172 4.810172\n4.810172 0.000000 4.810172\n4.810172 4.810172 0.000000\nBa Sb Rh\n4 1 1\ndirect\n0.125146 0.624951 0.624951 Ba\n0.624951 0.624951 0.624951 Ba\n0.624951 0.125146 0.624951 Ba\n0.624951 0.624951 0.125146 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Rh\n",
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"formula_full": "Ba4 Sb1 Rh1",
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"spacegroup": 216
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{
"id": "jvasp-114322",
"created_at": "2022-09-04T14:38:40.585935Z",
"updated_at": "2022-09-04T14:38:40.585944Z",
"structure_string": "K1 Zn1\n1.0\n4.761371 0.000000 0.000000\n-0.000000 4.761371 -0.000000\n0.000000 0.000000 3.271419\nK Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 Zn\n",
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"density_atomic": 0.026966822654320897,
"volume": 74.16520758256775,
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"formula_full": "K1 Zn1",
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"spacegroup": 123
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{
"id": "jvasp-66359",
"created_at": "2022-09-04T14:36:16.443067Z",
"updated_at": "2022-09-04T14:36:16.443086Z",
"structure_string": "Ba4 Re1 Br1\n1.0\n-0.000000 4.809468 4.809468\n4.809468 -0.000000 4.809468\n4.809468 4.809468 0.000000\nBa Re Br\n4 1 1\ndirect\n0.121824 0.626059 0.626059 Ba\n0.626059 0.626059 0.626059 Ba\n0.626059 0.121824 0.626059 Ba\n0.626059 0.626059 0.121824 Ba\n0.000000 0.000000 0.000000 Re\n0.250000 0.250000 0.250000 Br\n",
"nsites": 6,
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"volume": 222.49543973657148,
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"formula_full": "Ba4 Re1 Br1",
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"spacegroup": 216
},
{
"id": "jvasp-101490",
"created_at": "2022-09-04T14:36:53.013447Z",
"updated_at": "2022-09-04T14:36:53.013455Z",
"structure_string": "K2 Sc1 In1 Br6\n1.0\n6.983797 -0.000000 4.032097\n2.327932 6.584387 4.032097\n-0.000000 -0.000000 8.064194\nK Sc In Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 In\n0.768312 0.231688 0.231688 Br\n0.231688 0.231688 0.768311 Br\n0.231688 0.768312 0.768312 Br\n0.231688 0.768312 0.231688 Br\n0.768312 0.231688 0.768312 Br\n0.768312 0.768312 0.231689 Br\n",
"nsites": 10,
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"elements": [
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{
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"created_at": "2022-09-04T14:35:51.637783Z",
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"structure_string": "Ba2 Mn1 Pb1\n1.0\n0.000000 4.201343 4.201343\n4.201343 -0.000000 4.201343\n4.201343 4.201343 -0.000000\nBa Mn Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Pb\n",
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{
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"created_at": "2022-09-04T14:38:28.469812Z",
"updated_at": "2022-09-04T14:38:28.469838Z",
"structure_string": "I1 Br2\n1.0\n6.845676 0.000000 -5.441164\n0.000000 4.010337 0.000000\n-4.399287 0.000000 7.548472\nI Br\n1 2\ndirect\n-0.080119 0.000000 0.242959 I\n0.081596 0.000000 0.075634 Br\n0.225619 0.000000 -0.073517 Br\n",
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}