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"id": "jvasp-36502",
"created_at": "2022-09-04T14:37:28.394682Z",
"updated_at": "2022-09-04T14:37:28.394710Z",
"structure_string": "Ba3 As1 P1\n1.0\n6.119167 -0.000000 -0.000000\n-0.000000 6.119167 0.000000\n0.000000 -0.000000 6.119167\nBa As P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 P\n",
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"structure_string": "Ba1 Ga1 Br1\n1.0\n5.995717 1.819860 0.000000\n1.919903 6.564502 0.000000\n0.000000 0.000000 3.833824\nBa Ga Br\n1 1 1\ndirect\n-0.025714 -0.045004 0.000000 Ba\n-0.027801 0.456054 0.000000 Ga\n0.472664 -0.042196 0.000000 Br\n",
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{
"id": "jvasp-78999",
"created_at": "2022-09-04T14:36:35.176994Z",
"updated_at": "2022-09-04T14:36:35.177008Z",
"structure_string": "Sr3 Li1\n1.0\n-2.774208 2.774208 5.956617\n2.774208 -2.774208 5.956617\n2.774208 2.774208 -5.956617\nSr Li\n3 1\ndirect\n0.750001 0.249999 0.500001 Sr\n0.249999 0.750001 0.500001 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Li\n",
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{
"id": "jvasp-104900",
"created_at": "2022-09-04T14:36:45.219242Z",
"updated_at": "2022-09-04T14:36:45.219258Z",
"structure_string": "Rb6 Bi4\n1.0\n6.862785 0.004474 1.316113\n-0.503659 6.844280 1.316113\n-0.059378 -0.063950 9.735205\nRb Bi\n6 4\ndirect\n0.657426 0.757575 0.514414 Rb\n0.342574 0.242425 0.485586 Rb\n0.242425 0.342574 0.985586 Rb\n0.757575 0.657425 0.014413 Rb\n0.842275 0.157725 0.750000 Rb\n0.157725 0.842274 0.250000 Rb\n0.318122 0.884491 0.843923 Bi\n0.681879 0.115509 0.156077 Bi\n0.115509 0.681878 0.656077 Bi\n0.884491 0.318121 0.343923 Bi\n",
"nsites": 10,
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{
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"created_at": "2022-09-04T14:38:30.237943Z",
"updated_at": "2022-09-04T14:38:30.237963Z",
"structure_string": "Rb6 Si2\n1.0\n4.149299 -7.186796 0.000000\n4.149299 7.186796 -0.000000\n0.000000 0.000000 6.149581\nRb Si\n6 2\ndirect\n0.631172 0.815587 0.750000 Rb\n0.184414 0.368828 0.750000 Rb\n0.184414 0.815587 0.750000 Rb\n0.368828 0.184414 0.250000 Rb\n0.815587 0.631172 0.250000 Rb\n0.815587 0.184414 0.250000 Rb\n0.333333 0.666667 0.250000 Si\n0.666667 0.333333 0.750000 Si\n",
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"elements": [
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{
"id": "jvasp-107106",
"created_at": "2022-09-04T14:37:02.722121Z",
"updated_at": "2022-09-04T14:37:02.722146Z",
"structure_string": "K2 Na1 Nd1 I6\n1.0\n7.496751 -0.000000 4.328251\n2.498917 7.068005 4.328251\n-0.000000 -0.000000 8.656503\nK Na Nd I\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Nd\n0.748616 0.251384 0.251384 I\n0.251384 0.251384 0.748615 I\n0.251385 0.748615 0.748615 I\n0.251385 0.748615 0.251384 I\n0.748616 0.251384 0.748615 I\n0.748616 0.748615 0.251384 I\n",
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"elements": [
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"density": 3.64505169536538,
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"volume": 458.68276116198786,
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"formula_full": "K2 Na1 Nd1 I6",
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"formula_anonymous": "ABC2D6",
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{
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"created_at": "2022-09-04T14:38:13.130841Z",
"updated_at": "2022-09-04T14:38:13.130865Z",
"structure_string": "Ba4 Mg1 Cd1\n1.0\n0.000000 5.163458 5.163458\n5.163458 0.000000 5.163458\n5.163458 5.163458 0.000000\nBa Mg Cd\n4 1 1\ndirect\n0.125787 0.624738 0.624738 Ba\n0.624738 0.624738 0.624738 Ba\n0.624738 0.125787 0.624738 Ba\n0.624738 0.624738 0.125787 Ba\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Cd\n",
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],
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{
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"created_at": "2022-09-04T14:36:15.545250Z",
"updated_at": "2022-09-04T14:36:15.545274Z",
"structure_string": "Ba4 Cr1 Cl1\n1.0\n0.000000 5.164151 5.164151\n5.164151 0.000000 5.164151\n5.164151 5.164151 0.000000\nBa Cr Cl\n4 1 1\ndirect\n0.122409 0.625863 0.625863 Ba\n0.625863 0.625863 0.625863 Ba\n0.625863 0.122409 0.625863 Ba\n0.625863 0.625863 0.122409 Ba\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 Cl\n",
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{
"id": "jvasp-69225",
"created_at": "2022-09-04T14:36:14.771199Z",
"updated_at": "2022-09-04T14:36:14.771224Z",
"structure_string": "Ba1 Sr2 Bi1\n1.0\n4.328921 0.000000 0.000000\n0.000000 4.328921 -0.000000\n-0.000000 -0.000000 9.800223\nBa Sr Bi\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.676394 Sr\n0.000000 0.000000 0.323606 Sr\n0.500000 0.500000 0.500000 Bi\n",
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{
"id": "jvasp-50378",
"created_at": "2022-09-04T14:37:06.019654Z",
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"structure_string": "Sr4 Ca2 I12\n1.0\n7.560840 0.000000 0.000000\n0.000000 7.560840 0.000000\n0.000000 0.000000 14.456775\nSr Ca I\n4 2 12\ndirect\n0.000000 0.000000 0.333494 Sr\n0.000000 0.000000 0.666507 Sr\n0.500000 0.500000 0.166507 Sr\n0.500000 0.500000 0.833494 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.793104 0.206896 0.500000 I\n0.706896 0.706896 0.000000 I\n0.695821 0.695821 0.660215 I\n0.695821 0.695821 0.339786 I\n0.304179 0.304179 0.660215 I\n0.206896 0.793104 0.500000 I\n0.293104 0.293104 0.000000 I\n0.804179 0.195821 0.160215 I\n0.195821 0.804179 0.839786 I\n0.195821 0.804179 0.160215 I\n0.304179 0.304179 0.339786 I\n0.804179 0.195821 0.839786 I\n",
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{
"id": "jvasp-50812",
"created_at": "2022-09-04T14:35:52.875605Z",
"updated_at": "2022-09-04T14:35:52.875633Z",
"structure_string": "Ba1 Ca1 I4\n1.0\n4.780621 -0.003344 0.003965\n0.005847 7.155185 -1.683560\n-0.007763 -2.347900 8.608923\nBa Ca I\n1 1 4\ndirect\n0.505635 0.494946 -0.000452 Ba\n0.005673 -0.005361 0.499684 Ca\n0.005584 0.513228 0.279772 I\n0.505687 0.023577 0.273648 I\n0.005697 0.476121 0.719185 I\n0.505650 0.966068 0.725912 I\n",
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