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{
"id": "jvasp-100230",
"created_at": "2022-09-04T14:36:39.367798Z",
"updated_at": "2022-09-04T14:36:39.367826Z",
"structure_string": "Sr3 Ca1\n1.0\n5.325773 0.000532 -4.735585\n-1.073180 5.216526 -4.735585\n-0.000434 -0.000532 7.126684\nSr Ca\n3 1\ndirect\n0.750000 0.250000 0.499999 Sr\n0.250000 0.750001 0.500000 Sr\n0.500000 0.500000 -0.000001 Sr\n0.000000 0.000000 0.000000 Ca\n",
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{
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"structure_string": "Mg4 Mn4 F20\n1.0\n0.000000 5.017200 0.019349\n9.470827 0.000000 0.000000\n0.000000 -2.655927 -7.301135\nMg Mn F\n4 4 20\ndirect\n0.525481 0.012728 0.219901 Mg\n0.474519 0.512729 0.280099 Mg\n0.474518 0.987272 0.780098 Mg\n0.525480 0.487272 0.719901 Mg\n0.111822 0.759942 0.372012 Mn\n0.888177 0.259942 0.127987 Mn\n0.888177 0.240059 0.627987 Mn\n0.111822 0.740059 0.872012 Mn\n0.131059 0.102904 0.752938 F\n0.192559 0.139369 0.153487 F\n0.807441 0.639370 0.346512 F\n0.807171 0.158374 0.359489 F\n0.192558 0.360631 0.653487 F\n0.192829 0.658374 0.140511 F\n0.868940 0.602904 0.747061 F\n0.807440 0.860631 0.846512 F\n0.868940 0.897096 0.247061 F\n0.638580 0.110936 0.009778 F\n0.361419 0.889064 0.990222 F\n0.638580 0.389064 0.509777 F\n0.807170 0.341626 0.859488 F\n0.361419 0.610936 0.490222 F\n0.415992 0.619604 0.879599 F\n0.584006 0.119604 0.620400 F\n0.584007 0.380396 0.120400 F\n0.415993 0.880396 0.379599 F\n0.131059 0.397096 0.252939 F\n0.192828 0.841627 0.640511 F\n",
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{
"id": "jvasp-81697",
"created_at": "2022-09-04T14:37:08.826123Z",
"updated_at": "2022-09-04T14:37:08.826141Z",
"structure_string": "Ba2 In1 Hg1\n1.0\n-13.934123 3.105310 -2.973771\n-10.251670 0.561617 0.953899\n-8.532443 5.424220 -2.024016\nBa In Hg\n2 1 1\ndirect\n0.750093 -0.000078 -0.000078 Ba\n0.249907 1.000077 1.000079 Ba\n0.000000 -0.000000 -0.000000 In\n0.500000 0.000000 0.000000 Hg\n",
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],
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"volume": 149.34162441245604,
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"formula_full": "Ba2 In1 Hg1",
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},
{
"id": "jvasp-50792",
"created_at": "2022-09-04T14:37:08.086743Z",
"updated_at": "2022-09-04T14:37:08.086762Z",
"structure_string": "Ba2 Ca4 I12\n1.0\n0.000000 7.183653 -0.056217\n7.998706 0.000000 0.000000\n0.000000 -5.996697 -13.331781\nBa Ca I\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Ba\n-0.000000 0.500000 0.500000 Ba\n0.661761 0.617332 0.744187 Ca\n0.338238 0.117332 0.755813 Ca\n0.661761 0.882668 0.244187 Ca\n0.338238 0.382668 0.255813 Ca\n0.922230 0.556499 0.251801 I\n0.077769 0.056498 0.248199 I\n0.536419 0.682489 0.400559 I\n0.700548 0.156064 0.406587 I\n0.299452 0.843937 0.593413 I\n0.077769 0.443502 0.748199 I\n0.922230 0.943502 0.751801 I\n0.463580 0.182489 0.099441 I\n0.536419 0.817512 0.900559 I\n0.700547 0.343937 0.906587 I\n0.463580 0.317511 0.599441 I\n0.299452 0.656064 0.093413 I\n",
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"elements": [
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"density": 4.229046713382142,
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"volume": 768.7396753716067,
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"formula_full": "Ba2 Ca4 I12",
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{
"id": "jvasp-37907",
"created_at": "2022-09-04T14:38:05.937547Z",
"updated_at": "2022-09-04T14:38:05.937564Z",
"structure_string": "Ba2 Ag1 Sb1\n1.0\n0.000000 4.157866 4.157866\n4.157866 0.000000 4.157866\n4.157866 4.157866 0.000000\nBa Ag Sb\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Ba\n0.000000 0.000000 0.000000 Ba\n0.250000 0.250000 0.250000 Ag\n0.750001 0.750001 0.750001 Sb\n",
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"formula_full": "Ba2 Ag1 Sb1",
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"spacegroup": 225
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{
"id": "jvasp-69288",
"created_at": "2022-09-04T14:35:59.733628Z",
"updated_at": "2022-09-04T14:35:59.733655Z",
"structure_string": "Ba1 Ca1 Br2\n1.0\n4.202532 0.000000 0.000000\n0.000000 4.202532 0.000000\n-0.000000 0.000000 7.942601\nBa Ca Br\n1 1 2\ndirect\n0.500000 0.500000 0.810464 Ba\n0.000000 0.000000 0.389647 Ca\n0.000000 0.000000 0.006764 Br\n0.500000 0.500000 0.293124 Br\n",
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{
"id": "jvasp-69163",
"created_at": "2022-09-04T14:35:47.122262Z",
"updated_at": "2022-09-04T14:35:47.122297Z",
"structure_string": "Ba1 Ca1 Br2\n1.0\n4.202282 0.000000 0.000000\n0.000000 4.202128 0.000000\n0.000000 0.000000 7.943162\nBa Ca Br\n1 1 2\ndirect\n0.500000 0.500000 0.810460 Ba\n0.000000 0.000000 0.389650 Ca\n0.000000 0.000000 0.006793 Br\n0.500000 0.500000 0.293095 Br\n",
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"formula_full": "Ba1 Ca1 Br2",
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{
"id": "jvasp-42702",
"created_at": "2022-09-04T14:37:11.851590Z",
"updated_at": "2022-09-04T14:37:11.851614Z",
"structure_string": "Sr4 Ca4 I16\n1.0\n0.000000 7.875978 -1.396382\n15.674496 0.000000 0.000000\n0.000000 0.883446 -7.935911\nSr Ca I\n4 4 16\ndirect\n0.396652 0.860432 0.150095 Sr\n0.396652 0.639569 0.650094 Sr\n0.603349 0.360432 0.349905 Sr\n0.603349 0.139568 0.849905 Sr\n0.101429 0.137375 0.357174 Ca\n0.101429 0.362625 0.857174 Ca\n0.898572 0.637375 0.142826 Ca\n0.898572 0.862625 0.642825 Ca\n0.656841 0.716480 0.888118 I\n0.863293 0.216622 0.095756 I\n0.758346 0.028861 0.486580 I\n0.758472 0.967571 -0.013841 I\n0.656841 0.783521 0.388118 I\n0.758346 0.471139 -0.013420 I\n0.241654 0.528861 0.013419 I\n0.136708 0.783378 0.904243 I\n0.241528 0.032430 0.013841 I\n0.241654 0.971139 0.513419 I\n0.758472 0.532430 0.486159 I\n0.343160 0.283521 0.111882 I\n0.241529 0.467571 0.513841 I\n0.136707 0.716622 0.404243 I\n0.343160 0.216479 0.611882 I\n0.863293 0.283378 0.595756 I\n",
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{
"id": "jvasp-36927",
"created_at": "2022-09-04T14:38:05.114707Z",
"updated_at": "2022-09-04T14:38:05.114727Z",
"structure_string": "K1 Ge1 Br3\n1.0\n5.539197 0.048974 0.043725\n0.136854 5.538397 0.059708\n0.146015 0.131371 5.538526\nK Ge Br\n1 1 3\ndirect\n0.951246 0.962322 0.958839 K\n0.476222 0.488306 0.486413 Ge\n0.503821 0.016929 0.514898 Br\n0.004746 0.515844 0.514459 Br\n0.503966 0.516600 0.015391 Br\n",
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"spacegroup": 160
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{
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"created_at": "2022-09-04T14:36:18.665418Z",
"updated_at": "2022-09-04T14:36:18.665434Z",
"structure_string": "Ba1 Ca1 Br2\n1.0\n4.202621 0.000000 0.000000\n0.000000 4.202621 0.000000\n0.000000 0.000000 7.942024\nBa Ca Br\n1 1 2\ndirect\n0.500000 0.500000 0.810577 Ba\n0.000000 0.000000 0.389702 Ca\n0.000000 0.000000 0.006735 Br\n0.500000 0.500000 0.292985 Br\n",
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{
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"created_at": "2022-09-04T14:36:33.317535Z",
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"structure_string": "Li1 Ca2 Sn1\n1.0\n-16.602349 1.971320 -6.366218\n-9.995883 0.159045 -1.021677\n-8.699809 3.824893 -3.266542\nLi Ca Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.488556 0.174259 0.174259 Ca\n0.511446 0.825740 0.825738 Ca\n0.500000 -0.000000 -0.000000 Sn\n",
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{
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"structure_string": "K2 Bi2 F12\n1.0\n5.446795 0.000000 -0.000000\n0.000000 5.446795 -0.000000\n-0.000000 -0.000000 9.655175\nK Bi F\n2 2 12\ndirect\n0.500000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.750000 Bi\n0.000000 0.000000 0.250000 Bi\n0.731614 0.731614 0.250000 F\n0.191181 0.191322 0.602310 F\n0.191322 0.191181 0.897690 F\n0.808678 0.191181 0.397690 F\n0.268387 0.731614 0.750000 F\n0.808678 0.808820 0.897690 F\n0.191322 0.808820 0.397690 F\n0.191181 0.808678 0.102310 F\n0.268387 0.268387 0.250000 F\n0.808820 0.808678 0.602310 F\n0.731614 0.268387 0.750000 F\n0.808820 0.191322 0.102310 F\n",
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