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{
"id": "jvasp-5485",
"created_at": "2022-09-04T14:35:49.231542Z",
"updated_at": "2022-09-04T14:35:49.231570Z",
"structure_string": "Cd2 I4\n1.0\n2.142630 -3.711143 0.000000\n2.142630 3.711143 0.000000\n0.000000 0.000000 13.750837\nCd I\n2 4\ndirect\n0.666667 0.333333 0.500062 Cd\n0.333333 0.666667 0.000062 Cd\n0.000000 0.000000 0.373856 I\n0.000000 0.000000 0.873857 I\n0.333333 0.666667 0.626082 I\n0.666667 0.333333 0.126081 I\n",
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{
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"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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{
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"structure_string": "Ba1 In1 Cl1\n1.0\n-0.000000 3.925627 3.925627\n3.925627 -0.000000 3.925627\n3.925627 3.925627 0.000000\nBa In Cl\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Cl\n",
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{
"id": "jvasp-92195",
"created_at": "2022-09-04T14:35:50.202244Z",
"updated_at": "2022-09-04T14:35:50.202259Z",
"structure_string": "Ce1 Mg6 Zn1\n1.0\n7.186209 0.688245 0.000000\n-2.997122 5.191667 0.000000\n0.000000 0.000000 4.857953\nCe Mg Zn\n1 6 1\ndirect\n0.101777 0.800913 0.250000 Ce\n0.626138 0.307235 0.250000 Mg\n0.626105 0.818894 0.250000 Mg\n0.345985 0.171110 0.750000 Mg\n0.345961 0.674846 0.750000 Mg\n0.925547 0.212754 0.750000 Mg\n0.780824 0.640402 0.750000 Mg\n0.247668 0.373849 0.250000 Zn\n",
"nsites": 8,
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"volume": 191.2632368261389,
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{
"id": "jvasp-67817",
"created_at": "2022-09-04T14:35:50.398632Z",
"updated_at": "2022-09-04T14:35:50.398647Z",
"structure_string": "Be1 Ga1 Cu4\n1.0\n-0.000000 3.386880 3.386880\n3.386880 0.000000 3.386880\n3.386880 3.386880 -0.000000\nBe Ga Cu\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Ga\n0.123883 0.625372 0.625372 Cu\n0.625372 0.625372 0.625372 Cu\n0.625372 0.123883 0.625372 Cu\n0.625372 0.625372 0.123883 Cu\n",
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"volume": 77.70150382495336,
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"formula_full": "Be1 Ga1 Cu4",
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{
"id": "jvasp-105628",
"created_at": "2022-09-04T14:35:52.459768Z",
"updated_at": "2022-09-04T14:35:52.459795Z",
"structure_string": "K3 Sc1 I6\n1.0\n7.473072 0.000000 4.314580\n2.491024 7.045680 4.314580\n0.000000 -0.000000 8.629161\nK Sc I\n3 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Sc\n0.765674 0.234326 0.234326 I\n0.234325 0.234326 0.765674 I\n0.234325 0.765674 0.765675 I\n0.234325 0.765674 0.234326 I\n0.765674 0.234326 0.765675 I\n0.765674 0.765674 0.234326 I\n",
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"formula_full": "K3 Sc1 I6",
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"spacegroup": 225
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{
"id": "jvasp-89614",
"created_at": "2022-09-04T14:36:04.873737Z",
"updated_at": "2022-09-04T14:36:04.873764Z",
"structure_string": "Na4 Hg4 Cl12\n1.0\n4.113188 0.000000 0.000000\n-0.000000 8.351051 0.000000\n0.000000 0.000000 15.567650\nNa Hg Cl\n4 4 12\ndirect\n0.250000 0.628671 0.097562 Na\n0.750000 0.871329 0.597562 Na\n0.750000 0.371329 0.902438 Na\n0.250000 0.128671 0.402438 Na\n0.250000 0.656635 0.405996 Hg\n0.750000 0.843365 0.905996 Hg\n0.750000 0.343365 0.594004 Hg\n0.250000 0.156635 0.094004 Hg\n0.750000 0.391554 0.085647 Cl\n0.750000 0.349420 0.436481 Cl\n0.250000 0.108446 0.585647 Cl\n0.750000 0.891554 0.414353 Cl\n0.250000 0.650580 0.563519 Cl\n0.750000 0.458481 0.732617 Cl\n0.250000 0.541519 0.267383 Cl\n0.250000 0.608446 0.914353 Cl\n0.750000 0.849419 0.063519 Cl\n0.750000 -0.041519 0.767383 Cl\n0.250000 0.150580 0.936481 Cl\n0.250000 0.041519 0.232617 Cl\n",
"nsites": 20,
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"elements": [
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],
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"density": 4.0982616663296865,
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"volume": 534.7401025918678,
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"formula_full": "Na4 Hg4 Cl12",
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{
"id": "jvasp-67627",
"created_at": "2022-09-04T14:36:05.215000Z",
"updated_at": "2022-09-04T14:36:05.215026Z",
"structure_string": "Be1 Tl1 Cd4\n1.0\n0.000000 4.135936 4.135936\n4.135936 0.000000 4.135936\n4.135936 4.135936 -0.000000\nBe Tl Cd\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Tl\n0.123500 0.625501 0.625501 Cd\n0.625501 0.625501 0.625501 Cd\n0.625501 0.123500 0.625501 Cd\n0.625501 0.625501 0.123500 Cd\n",
"nsites": 6,
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"formula_full": "Be1 Tl1 Cd4",
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"spacegroup": 216
},
{
"id": "jvasp-94125",
"created_at": "2022-09-04T14:36:00.870609Z",
"updated_at": "2022-09-04T14:36:00.870640Z",
"structure_string": "Li1 Mg6 Co1\n1.0\n6.807990 -1.824753 0.000000\n-4.985454 8.628629 0.000000\n0.000000 0.000000 3.228758\nLi Mg Co\n1 6 1\ndirect\n0.249918 0.874958 0.250000 Li\n0.750077 0.375042 0.250000 Mg\n0.750078 0.875036 0.250000 Mg\n0.250024 0.160855 0.750001 Mg\n0.250075 0.589195 0.750001 Mg\n0.821610 0.160791 0.750001 Mg\n0.678296 0.589162 0.750001 Mg\n0.249929 0.374964 0.250000 Co\n",
"nsites": 8,
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"spacegroup": 123
},
{
"id": "jvasp-91760",
"created_at": "2022-09-04T14:36:05.710018Z",
"updated_at": "2022-09-04T14:36:05.710042Z",
"structure_string": "Na1 Cd4 As3\n1.0\n-2.254631 -3.905134 0.000000\n2.254631 -3.905134 0.000000\n-0.000000 -2.603422 11.329492\nNa Cd As\n1 4 3\ndirect\n0.499999 0.499999 0.500000 Na\n0.095500 0.095500 0.713499 Cd\n0.904498 0.904498 0.286501 Cd\n0.298588 0.298588 0.104237 Cd\n0.701411 0.701411 0.895763 Cd\n0.218973 0.218973 0.343081 As\n0.781026 0.781026 0.656919 As\n0.000000 0.000000 0.000000 As\n",
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{
"id": "jvasp-70746",
"created_at": "2022-09-04T14:35:55.165055Z",
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"structure_string": "Be1 Zn2 Pb1\n1.0\n3.215666 0.000000 -0.000000\n0.000000 3.215666 0.000000\n0.000000 0.000000 7.148556\nBe Zn Pb\n1 2 1\ndirect\n0.000000 0.000000 0.412386 Be\n0.000000 0.000000 0.062199 Zn\n0.500001 0.500001 0.289976 Zn\n0.500001 0.500001 0.735440 Pb\n",
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{
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"created_at": "2022-09-04T14:36:05.714844Z",
"updated_at": "2022-09-04T14:36:05.714869Z",
"structure_string": "K1 Sr1 Mg6\n1.0\n7.179241 0.231739 0.000000\n-3.388928 6.333274 0.000000\n0.000000 0.000000 5.347026\nK Sr Mg\n1 1 6\ndirect\n0.099959 0.400041 0.250000 K\n0.402042 0.097958 0.750001 Sr\n0.042535 0.877463 0.250000 Mg\n0.622537 0.457464 0.250000 Mg\n0.589261 0.910738 0.250000 Mg\n0.465170 0.625800 0.750001 Mg\n0.874200 0.034830 0.750001 Mg\n0.904296 0.595703 0.750001 Mg\n",
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