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{
"id": "jvasp-69091",
"created_at": "2022-09-04T14:36:01.702753Z",
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"structure_string": "Ba2 Cd1 Bi1\n1.0\n-0.000000 4.260169 4.260169\n4.260169 0.000000 4.260169\n4.260169 4.260169 0.000000\nBa Cd Bi\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Bi\n",
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{
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"structure_string": "K2 Ga1 Hg1 I6\n1.0\n7.190597 -0.000000 4.151493\n2.396866 6.779360 4.151493\n-0.000000 -0.000000 8.302986\nK Ga Hg I\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Hg\n0.756842 0.243158 0.243158 I\n0.243158 0.243158 0.756842 I\n0.243159 0.756842 0.756842 I\n0.243159 0.756842 0.243157 I\n0.756842 0.243158 0.756842 I\n0.756843 0.756842 0.243157 I\n",
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{
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"structure_string": "Ba2 In1 Te1\n1.0\n0.000000 4.248870 4.248870\n4.248870 0.000000 4.248870\n4.248870 4.248870 0.000000\nBa In Te\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Te\n",
"nsites": 4,
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],
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{
"id": "jvasp-93832",
"created_at": "2022-09-04T14:35:46.567895Z",
"updated_at": "2022-09-04T14:35:46.567924Z",
"structure_string": "Ca2 Cl2 O2\n1.0\n-1.968600 -3.409615 0.000000\n-1.968600 3.409615 0.000000\n0.000000 0.000000 -9.191588\nCa Cl O\n2 2 2\ndirect\n0.333332 0.666668 0.812242 Ca\n0.666668 0.333332 0.312242 Ca\n0.333322 0.666678 0.506190 Cl\n0.666678 0.333322 0.006189 Cl\n0.000007 0.999993 0.264569 O\n0.999993 0.000007 0.764569 O\n",
"nsites": 6,
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"elements": [
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],
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"volume": 123.39096732167064,
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"spacegroup": 186
},
{
"id": "jvasp-65131",
"created_at": "2022-09-04T14:35:41.890638Z",
"updated_at": "2022-09-04T14:35:41.890657Z",
"structure_string": "Be1 Zn1 Cd4\n1.0\n0.000000 4.016365 4.016365\n4.016365 -0.000000 4.016365\n4.016365 4.016365 -0.000000\nBe Zn Cd\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Zn\n0.124247 0.625252 0.625252 Cd\n0.625252 0.625252 0.625252 Cd\n0.625252 0.124247 0.625252 Cd\n0.625252 0.625252 0.124247 Cd\n",
"nsites": 6,
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],
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"volume": 129.5774762829269,
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},
{
"id": "jvasp-92936",
"created_at": "2022-09-04T14:35:45.323234Z",
"updated_at": "2022-09-04T14:35:45.323252Z",
"structure_string": "Rb1 Mg6 Ga1\n1.0\n6.814391 0.739512 0.000000\n-2.766759 6.271191 0.000000\n0.000000 0.000000 4.880536\nRb Mg Ga\n1 6 1\ndirect\n0.122234 0.377766 0.250000 Rb\n0.200379 0.903740 0.250000 Mg\n0.596259 0.299621 0.250000 Mg\n0.691262 0.808737 0.250000 Mg\n0.399978 0.724853 0.750001 Mg\n0.775147 0.100021 0.750001 Mg\n0.861905 0.638095 0.750001 Mg\n0.352833 0.147166 0.750001 Ga\n",
"nsites": 8,
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"spacegroup": 38
},
{
"id": "jvasp-93165",
"created_at": "2022-09-04T14:35:57.929377Z",
"updated_at": "2022-09-04T14:35:57.929402Z",
"structure_string": "Na1 Li1 Mg6\n1.0\n6.511028 -0.017102 0.000000\n-3.270326 5.630165 0.000000\n0.000000 0.000000 5.148777\nNa Li Mg\n1 1 6\ndirect\n0.328707 0.171293 0.750000 Na\n0.162330 0.337669 0.250000 Li\n0.166997 0.825432 0.250000 Mg\n0.674568 0.333002 0.250000 Mg\n0.667948 0.832051 0.250000 Mg\n0.329178 0.663793 0.750000 Mg\n0.836207 0.170822 0.750000 Mg\n0.834060 0.665939 0.750000 Mg\n",
"nsites": 8,
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"volume": 188.4567346177265,
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"formula_full": "Na1 Li1 Mg6",
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"spacegroup": 38
},
{
"id": "jvasp-85041",
"created_at": "2022-09-04T14:36:32.041593Z",
"updated_at": "2022-09-04T14:36:32.041623Z",
"structure_string": "Br2 Cl2\n1.0\n3.236081 2.262147 0.000000\n-3.236081 2.262147 0.000000\n0.000000 0.000000 7.816697\nBr Cl\n2 2\ndirect\n0.000541 0.000541 0.374871 Br\n0.999460 0.999460 0.874872 Br\n0.681421 0.681421 0.625129 Cl\n0.318580 0.318580 0.125129 Cl\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.034951555727048944,
"volume": 114.44411891812894,
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"formula_full": "Br2 Cl2",
"formula_reduced": "BrCl",
"formula_anonymous": "AB",
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"spacegroup": 63
},
{
"id": "jvasp-94242",
"created_at": "2022-09-04T14:35:47.654445Z",
"updated_at": "2022-09-04T14:35:47.654467Z",
"structure_string": "Ba1 Mg6 Co1\n1.0\n8.097855 -1.110347 0.000000\n-5.010516 6.457774 0.000000\n0.000000 0.000000 4.460337\nBa Mg Co\n1 6 1\ndirect\n0.275853 0.224147 0.750001 Ba\n0.210094 0.796659 0.250000 Mg\n0.703339 0.289905 0.250000 Mg\n0.681376 0.818622 0.250000 Mg\n0.317569 0.661271 0.750001 Mg\n0.838727 0.182429 0.750001 Mg\n0.870650 0.629347 0.750001 Mg\n0.102384 0.397615 0.250000 Co\n",
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"formula_full": "Ba1 Mg6 Co1",
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},
{
"id": "jvasp-100125",
"created_at": "2022-09-04T14:36:21.876006Z",
"updated_at": "2022-09-04T14:36:21.876040Z",
"structure_string": "K2 Rb1 Nd1 Cl6\n1.0\n7.042698 -0.000000 4.066104\n2.347566 6.639919 4.066104\n-0.000000 -0.000000 8.132207\nK Rb Nd Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Rb\n0.000000 0.000000 0.000000 Nd\n0.764058 0.235942 0.235942 Cl\n0.235943 0.235942 0.764058 Cl\n0.235943 0.764058 0.764057 Cl\n0.235943 0.764058 0.235942 Cl\n0.764058 0.235942 0.764057 Cl\n0.764058 0.764058 0.235941 Cl\n",
"nsites": 10,
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"formula_full": "K2 Rb1 Nd1 Cl6",
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{
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"created_at": "2022-09-04T14:35:53.508452Z",
"updated_at": "2022-09-04T14:35:53.508471Z",
"structure_string": "Th1\n1.0\n3.166958 -0.000000 -1.706713\n-0.919770 3.030453 -1.706713\n-0.107047 -0.144359 3.593006\nTh\n1\ndirect\n0.000000 0.000000 0.000000 Th\n",
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{
"id": "jvasp-31822",
"created_at": "2022-09-04T14:37:04.274298Z",
"updated_at": "2022-09-04T14:37:04.274317Z",
"structure_string": "Sb2 Kr6 F22\n1.0\n7.136516 -0.068229 3.511253\n-0.338832 7.952100 2.999912\n-0.065096 0.014342 8.976062\nSb Kr F\n2 6 22\ndirect\n0.292329 0.678139 0.780504 Sb\n0.707671 0.321861 0.219495 Sb\n0.807686 0.854689 0.712179 Kr\n0.192314 0.145311 0.287820 Kr\n0.227146 0.164517 0.778034 Kr\n0.772855 0.835483 0.221966 Kr\n0.693602 0.330389 0.726750 Kr\n0.306398 0.669610 0.273249 Kr\n0.128549 0.555215 0.260792 F\n0.871452 0.444785 0.739207 F\n0.774789 0.444895 0.330666 F\n0.225211 0.555105 0.669334 F\n0.484266 0.799669 0.312017 F\n0.515734 0.200331 0.687982 F\n0.669043 0.530523 0.063622 F\n0.024065 0.893130 0.148662 F\n0.036673 0.681651 0.939788 F\n0.632586 0.198304 0.113601 F\n0.367414 0.801696 0.886399 F\n0.448735 0.317630 0.380838 F\n0.551265 0.682369 0.619161 F\n0.261661 0.887625 0.619065 F\n0.738339 0.112374 0.380934 F\n0.674294 0.927796 0.915059 F\n0.325706 0.072204 0.084940 F\n0.946465 0.790710 0.504324 F\n0.053535 0.209289 0.495675 F\n0.975935 0.106870 0.851337 F\n0.963327 0.318348 0.060212 F\n0.330957 0.469477 0.936377 F\n",
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