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{
"id": "jvasp-113474",
"created_at": "2022-09-04T14:38:45.039640Z",
"updated_at": "2022-09-04T14:38:45.039669Z",
"structure_string": "Ba2 I1\n1.0\n4.285590 0.000000 0.000000\n0.000000 4.102272 0.000000\n0.000000 0.000000 9.580304\nBa I\n2 1\ndirect\n-0.033335 0.000000 0.713992 Ba\n-0.033335 0.000000 0.286008 Ba\n0.466669 0.000000 0.000000 I\n",
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{
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"structure_string": "Ba1 I2\n1.0\n4.938912 0.000000 0.000000\n0.000000 5.462895 0.000000\n0.000000 0.000000 8.765572\nBa I\n1 2\ndirect\n0.466687 0.000000 0.000000 Ba\n-0.033344 0.000000 0.741396 I\n-0.033344 0.000000 0.258603 I\n",
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{
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"updated_at": "2022-09-04T14:37:31.458525Z",
"structure_string": "Ba4 I8\n1.0\n5.295642 0.000000 0.000000\n-0.000000 8.909377 0.000000\n0.000000 0.000000 10.743266\nBa I\n4 8\ndirect\n0.250000 0.748498 0.620482 Ba\n0.750000 0.251502 0.379518 Ba\n0.250000 0.248498 0.879518 Ba\n0.750000 0.751502 0.120482 Ba\n0.250000 0.527283 0.331559 I\n0.750000 0.472718 0.668441 I\n0.250000 0.027283 0.168441 I\n0.750000 0.972718 0.831560 I\n0.750000 0.856206 0.430337 I\n0.250000 0.143794 0.569663 I\n0.750000 0.356206 0.069663 I\n0.250000 0.643795 0.930338 I\n",
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"spacegroup": 62
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{
"id": "jvasp-114060",
"created_at": "2022-09-04T14:38:49.692669Z",
"updated_at": "2022-09-04T14:38:49.692696Z",
"structure_string": "Ba2 I1\n1.0\n6.498404 0.000000 2.233848\n0.000000 4.221210 0.000000\n2.718572 0.000000 7.982480\nBa I\n2 1\ndirect\n-0.033539 0.000000 -0.033148 Ba\n-0.033125 0.000000 0.466622 Ba\n0.466664 0.000000 -0.033473 I\n",
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"formula_full": "Ba2 I1",
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"spacegroup": 65
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{
"id": "jvasp-113486",
"created_at": "2022-09-04T14:38:49.417117Z",
"updated_at": "2022-09-04T14:38:49.417145Z",
"structure_string": "Ba1 I2\n1.0\n5.493711 1.872449 0.860099\n-4.080292 -7.070138 1.433951\n-2.390570 0.271859 -5.332320\nBa I\n1 2\ndirect\n0.703840 0.053436 0.178721 Ba\n0.704009 0.303902 0.678135 I\n0.703549 0.802906 0.679195 I\n",
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"density": 4.563536579925561,
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"volume": 142.3230639978584,
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"spacegroup": 225
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{
"id": "jvasp-22640",
"created_at": "2022-09-04T14:37:15.243229Z",
"updated_at": "2022-09-04T14:37:15.243245Z",
"structure_string": "Ba3 I6\n1.0\n9.190063 0.000000 0.000000\n-4.595031 7.958827 -0.000000\n-0.000000 -0.000000 5.157695\nBa I\n3 6\ndirect\n0.000000 0.000000 0.500000 Ba\n0.666667 0.333333 0.000000 Ba\n0.333333 0.666667 0.000000 Ba\n0.592663 0.000000 0.500000 I\n0.000000 0.257120 0.000000 I\n0.257120 0.000000 0.000000 I\n0.000000 0.592663 0.500000 I\n0.407337 0.407337 0.500000 I\n0.742880 0.742880 0.000000 I\n",
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"density": 5.165053994083496,
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"volume": 377.2447545361405,
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"formula_full": "Ba3 I6",
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{
"id": "jvasp-22689",
"created_at": "2022-09-04T14:36:53.479671Z",
"updated_at": "2022-09-04T14:36:53.479755Z",
"structure_string": "Ba2 H6 Ru1\n1.0\n4.024417 4.024417 0.000000\n-0.000000 4.024417 4.024417\n4.024417 0.000000 4.024417\nBa H Ru\n2 6 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.250000 0.250000 0.250000 Ba\n0.217246 0.782755 0.782755 H\n0.217246 0.217246 0.782755 H\n0.217246 0.782755 0.217246 H\n0.782755 0.217246 0.217246 H\n0.782755 0.782755 0.217246 H\n0.782755 0.217246 0.782755 H\n0.000000 0.000000 0.000000 Ru\n",
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"elements": [
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"formula_full": "Ba2 H6 Ru1",
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"formula_anonymous": "AB2C6",
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"spacegroup": 225
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{
"id": "jvasp-58930",
"created_at": "2022-09-04T14:37:07.834861Z",
"updated_at": "2022-09-04T14:37:07.834870Z",
"structure_string": "Ba2 Re2 H18\n1.0\n2.598553 -4.500827 -0.000000\n2.598553 4.500827 0.000000\n-0.000000 0.000000 9.721414\nBa Re H\n2 2 18\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.333332 0.666667 0.750000 Re\n0.666667 0.333332 0.250000 Re\n0.530739 0.469260 0.125468 H\n0.469260 0.938520 0.874531 H\n0.061478 0.530739 0.874531 H\n0.938520 0.469260 0.374531 H\n0.530739 0.061478 0.374531 H\n0.469260 0.530739 0.874531 H\n0.853114 0.146885 0.250000 H\n0.146886 0.293772 0.750000 H\n0.293772 0.146886 0.250000 H\n0.530739 0.061478 0.125468 H\n0.853113 0.706227 0.250000 H\n0.146885 0.853114 0.750000 H\n0.938520 0.469260 0.125468 H\n0.061478 0.530739 0.625468 H\n0.469260 0.530739 0.625468 H\n0.469260 0.938520 0.625468 H\n0.706227 0.853113 0.750000 H\n0.530739 0.469260 0.374531 H\n",
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"elements": [
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"density": 4.857637850932087,
"density_atomic": 0.096747409980819,
"volume": 227.39626832761402,
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{
"id": "jvasp-85661",
"created_at": "2022-09-04T14:35:41.739891Z",
"updated_at": "2022-09-04T14:35:41.739917Z",
"structure_string": "Ba4 H12 Pt2\n1.0\n7.259677 3.006177 -0.000000\n-7.259677 3.006177 -0.000000\n0.000000 0.000000 6.012338\nBa H Pt\n4 12 2\ndirect\n0.141539 0.858462 0.500000 Ba\n0.641539 0.358462 0.000000 Ba\n0.858462 0.141539 0.500000 Ba\n0.358462 0.641539 0.000000 Ba\n0.801950 0.801950 0.801986 H\n0.198051 0.198051 0.198014 H\n0.698051 0.698051 0.301986 H\n0.301949 0.301949 0.698014 H\n0.115238 0.884763 0.000000 H\n0.615238 0.384763 0.500000 H\n0.384763 0.615238 0.500000 H\n0.499769 -0.000231 0.750000 H\n0.000232 0.500232 0.250000 H\n0.500232 0.000232 0.250000 H\n-0.000231 0.499769 0.750000 H\n0.884763 0.115238 0.000000 H\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n",
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{
"id": "jvasp-97532",
"created_at": "2022-09-04T14:35:44.359429Z",
"updated_at": "2022-09-04T14:35:44.359453Z",
"structure_string": "Ba4 Zn2 H12 O12\n1.0\n6.557615 0.000000 -0.597324\n0.000000 5.737722 0.000000\n-0.918860 0.000000 9.848841\nBa Zn H O\n4 2 12 12\ndirect\n0.043701 0.502808 0.280714 Ba\n0.543700 -0.002809 0.780715 Ba\n-0.043701 0.497191 0.719285 Ba\n0.456299 0.002809 0.219286 Ba\n0.500000 0.500000 0.000000 Zn\n-0.000000 0.000000 0.500000 Zn\n0.754351 0.813031 0.106076 H\n0.254352 0.686968 0.606076 H\n0.245648 0.186969 0.893924 H\n0.037705 0.783882 0.988672 H\n0.537705 0.716117 0.488673 H\n0.745648 0.313031 0.393925 H\n0.462294 0.283882 0.511328 H\n-0.135091 0.288473 -0.002441 H\n0.364909 0.211527 0.497559 H\n0.135091 0.711526 0.002441 H\n0.635091 0.788473 0.502441 H\n-0.037705 0.216117 0.011328 H\n0.846330 0.290023 0.479987 O\n0.346330 0.209977 -0.020013 O\n0.581725 0.484198 0.774593 O\n0.081725 0.015802 0.274593 O\n0.418275 0.515802 0.225408 O\n0.629925 0.417398 0.216937 O\n0.129926 0.082601 0.716937 O\n0.870074 0.917398 0.283063 O\n0.370074 0.582601 0.783063 O\n0.653669 0.790023 0.020013 O\n-0.081725 -0.015802 0.725407 O\n0.153670 0.709977 0.520013 O\n",
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"formula_full": "Ba4 Zn2 H12 O12",
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{
"id": "jvasp-85795",
"created_at": "2022-09-04T14:36:15.624083Z",
"updated_at": "2022-09-04T14:36:15.624103Z",
"structure_string": "Ba2 Sn4 H4 O8\n1.0\n7.251662 0.000000 -2.341831\n0.000000 5.823445 0.000000\n-0.011742 0.000000 7.269780\nBa Sn H O\n2 4 4 8\ndirect\n0.565876 0.504147 0.811877 Ba\n0.434124 0.004147 0.188123 Ba\n0.852256 0.504404 0.353618 Sn\n0.147744 0.004403 0.646382 Sn\n0.107120 0.504376 0.911955 Sn\n0.892880 0.004376 0.088045 Sn\n0.785351 0.004303 0.703154 H\n0.214649 0.504303 0.296846 H\n0.511852 0.504636 0.365417 H\n0.488148 0.004635 0.634583 H\n0.288494 0.504579 0.207497 O\n0.276555 0.253280 0.853820 O\n0.723445 0.753280 0.146180 O\n0.723365 0.255224 0.146498 O\n0.276635 0.755224 0.853502 O\n0.632970 0.505055 0.470202 O\n0.367030 0.005055 0.529799 O\n0.711506 0.004579 0.792503 O\n",
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"formula_full": "Ba2 Sn4 H4 O8",
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{
"id": "jvasp-22690",
"created_at": "2022-09-04T14:36:57.671698Z",
"updated_at": "2022-09-04T14:36:57.671742Z",
"structure_string": "Ba2 H6 Os1\n1.0\n4.037743 4.037743 0.000000\n0.000000 4.037743 4.037743\n4.037743 0.000000 4.037743\nBa H Os\n2 6 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.217372 0.782627 0.782627 H\n0.217372 0.217372 0.782627 H\n0.217372 0.782627 0.217372 H\n0.782627 0.217372 0.217372 H\n0.782627 0.782627 0.217372 H\n0.782627 0.217372 0.782627 H\n0.000000 0.000000 0.000000 Os\n",
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"density": 5.939651347815475,
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"volume": 131.6576243495532,
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"formula_full": "Ba2 H6 Os1",
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"formula_anonymous": "AB2C6",
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"spacegroup": 225
}
]
}