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{
"id": "jvasp-69365",
"created_at": "2022-09-04T14:36:20.807556Z",
"updated_at": "2022-09-04T14:36:20.807575Z",
"structure_string": "Ba2 Sn1 Br1\n1.0\n-0.000000 4.219742 4.219742\n4.219742 0.000000 4.219742\n4.219742 4.219742 -0.000000\nBa Sn Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Br\n",
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{
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"structure_string": "Ba4 Be1 Cd1\n1.0\n0.000000 5.038373 5.038373\n5.038373 0.000000 5.038373\n5.038373 5.038373 0.000000\nBa Be Cd\n4 1 1\ndirect\n0.125600 0.624799 0.624799 Ba\n0.624799 0.624799 0.624799 Ba\n0.624799 0.125600 0.624799 Ba\n0.624799 0.624799 0.125600 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Cd\n",
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{
"id": "jvasp-91881",
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"structure_string": "Mg7 Mn1\n1.0\n6.272723 0.000000 0.000000\n-3.136361 5.432337 0.000000\n-0.000000 -0.000000 4.967297\nMg Mn\n7 1\ndirect\n0.167337 0.833669 0.250000 Mg\n0.666332 0.332663 0.250000 Mg\n0.666332 0.833669 0.250000 Mg\n0.327462 0.172538 0.750001 Mg\n0.327463 0.654927 0.750001 Mg\n0.845073 0.172538 0.750001 Mg\n0.833333 0.666667 0.750001 Mg\n0.166667 0.333333 0.250000 Mn\n",
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{
"id": "jvasp-69183",
"created_at": "2022-09-04T14:36:20.424264Z",
"updated_at": "2022-09-04T14:36:20.424283Z",
"structure_string": "Ba1 In2 Te1\n1.0\n4.277383 0.000000 -0.000000\n-0.000000 4.277383 0.000000\n0.000000 0.000000 7.340858\nBa In Te\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.296447 In\n0.000000 0.000000 0.703553 In\n0.500000 0.500000 0.500000 Te\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.02978220783253204,
"volume": 134.3083770851493,
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"formula_full": "Ba1 In2 Te1",
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"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-1921",
"created_at": "2022-09-04T14:36:20.846437Z",
"updated_at": "2022-09-04T14:36:20.846458Z",
"structure_string": "Rb1 Br1\n1.0\n4.202068 0.000000 2.426065\n1.400689 3.961748 2.426065\n0.000000 0.000000 4.852131\nRb Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500001 Br\n",
"nsites": 2,
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"elements": [
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"volume": 80.77601819609896,
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"formula_full": "Rb1 Br1",
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"spacegroup": 225
},
{
"id": "jvasp-68987",
"created_at": "2022-09-04T14:36:20.274584Z",
"updated_at": "2022-09-04T14:36:20.274608Z",
"structure_string": "Ba1 Sr2 Mg1\n1.0\n4.167179 0.000000 0.000000\n-0.000000 4.167059 0.000000\n0.000000 0.000000 10.675929\nBa Sr Mg\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.693964 Sr\n0.000000 0.000000 0.306036 Sr\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.0174253191380997,
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"volume": 185.38623405051152,
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"formula_full": "Ba1 Sr2 Mg1",
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{
"id": "jvasp-100470",
"created_at": "2022-09-04T14:36:33.210911Z",
"updated_at": "2022-09-04T14:36:33.210933Z",
"structure_string": "Sr1 Eu1 In2\n1.0\n4.789419 0.000000 2.765172\n1.596473 4.515508 2.765172\n0.000000 0.000000 5.530345\nSr Eu In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Eu\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n",
"nsites": 4,
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"elements": [
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"Eu",
"In"
],
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"density": 6.514542760472444,
"density_atomic": 0.03344400793159847,
"volume": 119.60288994611594,
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"formula_full": "Sr1 Eu1 In2",
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{
"id": "jvasp-102878",
"created_at": "2022-09-04T14:36:36.691587Z",
"updated_at": "2022-09-04T14:36:36.691619Z",
"structure_string": "K2 Ag1 Sb1 Br6\n1.0\n6.807386 0.000000 3.930246\n2.269128 6.418065 3.930246\n-0.000000 -0.000000 7.860492\nK Ag Sb Br\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Sb\n0.748703 0.251298 0.251298 Br\n0.251298 0.251298 0.748702 Br\n0.251298 0.748703 0.748703 Br\n0.251298 0.748703 0.251297 Br\n0.748703 0.251298 0.748703 Br\n0.748703 0.748703 0.251298 Br\n",
"nsites": 10,
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"elements": [
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"Br"
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"density": 3.806509223147284,
"density_atomic": 0.029118284275508596,
"volume": 343.42682780973485,
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"formula_full": "K2 Ag1 Sb1 Br6",
"formula_reduced": "K2AgSbBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-90546",
"created_at": "2022-09-04T14:36:20.357431Z",
"updated_at": "2022-09-04T14:36:20.357456Z",
"structure_string": "Na1 Mg6 Nb1\n1.0\n6.065311 -1.624879 0.000000\n-4.439842 7.690032 0.000000\n0.000000 0.000000 4.502626\nNa Mg Nb\n1 6 1\ndirect\n0.250198 0.375099 0.250000 Na\n0.750017 0.374936 0.250000 Mg\n0.750017 0.875079 0.250000 Mg\n0.249950 0.108052 0.750001 Mg\n0.249950 0.641899 0.750001 Mg\n0.715934 0.107968 0.750001 Mg\n0.784024 0.642012 0.750001 Mg\n0.249910 0.874955 0.250000 Nb\n",
"nsites": 8,
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"volume": 177.53057195981614,
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"formula_full": "Na1 Mg6 Nb1",
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"formula_anonymous": "ABC6",
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"spacegroup": 123
},
{
"id": "jvasp-91896",
"created_at": "2022-09-04T14:36:13.429473Z",
"updated_at": "2022-09-04T14:36:13.429504Z",
"structure_string": "Mg7 Bi1\n1.0\n6.462675 -0.000000 0.000000\n-3.231338 5.596841 0.000000\n-0.000000 -0.000000 5.270523\nMg Bi\n7 1\ndirect\n0.163710 0.831854 0.250000 Mg\n0.668146 0.336289 0.250000 Mg\n0.668146 0.831854 0.250000 Mg\n0.339652 0.160348 0.750000 Mg\n0.339652 0.679306 0.750000 Mg\n0.820695 0.160348 0.750000 Mg\n0.833333 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Bi\n",
"nsites": 8,
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"volume": 190.63779164417352,
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"spacegroup": 187
},
{
"id": "jvasp-102091",
"created_at": "2022-09-04T14:36:33.107802Z",
"updated_at": "2022-09-04T14:36:33.107815Z",
"structure_string": "Rb2 In1 Sb1 Cl6\n1.0\n6.796624 -0.000000 3.924033\n2.265542 6.407919 3.924033\n-0.000000 -0.000000 7.848065\nRb In Sb Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Sb\n0.760300 0.239700 0.239700 Cl\n0.239700 0.239700 0.760301 Cl\n0.239699 0.760300 0.760300 Cl\n0.239699 0.760300 0.239700 Cl\n0.760300 0.239700 0.760301 Cl\n0.760299 0.760300 0.239700 Cl\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.029256822075518604,
"volume": 341.800622575743,
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"formula_full": "Rb2 In1 Sb1 Cl6",
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},
{
"id": "jvasp-12469",
"created_at": "2022-09-04T14:36:42.070286Z",
"updated_at": "2022-09-04T14:36:42.070315Z",
"structure_string": "K4 Te2 Br12\n1.0\n0.000000 7.390115 -0.028162\n7.725623 0.000000 0.000000\n0.000000 -7.306031 -10.522018\nK Te Br\n4 2 12\ndirect\n0.274765 0.074824 0.752038 K\n0.725235 0.574824 0.747962 K\n0.725235 0.925176 0.247962 K\n0.274765 0.425176 0.252037 K\n0.000000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.767541 0.202520 0.463773 Br\n0.232458 0.702520 0.036227 Br\n0.232458 0.797479 0.536227 Br\n0.767542 0.297479 0.963773 Br\n0.654849 0.698689 0.456874 Br\n0.654849 0.801310 0.956874 Br\n0.827675 0.993559 0.746131 Br\n0.345150 0.301310 0.543126 Br\n0.172325 0.493559 0.753869 Br\n0.827675 0.506441 0.246131 Br\n0.345150 0.198689 0.043126 Br\n0.172325 0.006441 0.253868 Br\n",
"nsites": 18,
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"formula_full": "K4 Te2 Br12",
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"spacegroup": 14
}
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}