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{
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{
"id": "jvasp-21699",
"created_at": "2022-09-04T14:38:34.749282Z",
"updated_at": "2022-09-04T14:38:34.749306Z",
"structure_string": "Yb8 Pb4\n1.0\n5.277379 -0.000000 0.000000\n-0.000000 7.106594 0.000000\n0.000000 0.000000 9.361438\nYb Pb\n8 4\ndirect\n0.250000 0.490065 0.219818 Yb\n0.750000 0.509934 0.780183 Yb\n0.250000 0.990065 0.280182 Yb\n0.750000 0.009935 0.719818 Yb\n0.750000 0.205546 0.079817 Yb\n0.250000 0.794454 0.920183 Yb\n0.750000 0.705545 0.420183 Yb\n0.250000 0.294454 0.579818 Yb\n0.250000 0.758965 0.590030 Pb\n0.750000 0.241034 0.409970 Pb\n0.250000 0.258966 0.909971 Pb\n0.750000 0.741034 0.090030 Pb\n",
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{
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"structure_string": "Rb2 Ag1 Bi1 Br6\n1.0\n6.901917 0.000000 3.984824\n2.300639 6.507190 3.984824\n-0.000000 -0.000000 7.969648\nRb Ag Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.746631 0.253369 0.253369 Br\n0.253369 0.253369 0.746631 Br\n0.253369 0.746631 0.746630 Br\n0.253369 0.746631 0.253369 Br\n0.746631 0.253369 0.746630 Br\n0.746631 0.746631 0.253368 Br\n",
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{
"id": "jvasp-53461",
"created_at": "2022-09-04T14:38:31.539863Z",
"updated_at": "2022-09-04T14:38:31.539893Z",
"structure_string": "Ba3 Bi2 F12\n1.0\n4.375017 0.012334 0.009298\n-2.141071 3.817518 -0.014179\n-1.515366 -1.392749 17.654517\nBa Bi F\n3 2 12\ndirect\n0.090153 0.988717 0.005298 Ba\n0.863644 0.397903 0.211762 Ba\n0.638482 0.811180 0.417668 Ba\n0.453251 0.296922 0.620813 Bi\n0.400823 0.713079 0.821156 Bi\n0.409004 0.130129 0.746141 F\n0.680285 0.746789 0.707359 F\n0.969078 0.863481 0.852075 F\n0.676674 0.802026 0.564634 F\n0.332898 0.163706 0.478140 F\n0.039482 0.483794 0.626953 F\n0.665777 0.207918 0.888902 F\n0.556823 0.752733 0.265497 F\n0.171995 0.043904 0.161088 F\n0.783906 0.342746 0.061857 F\n0.947198 0.456253 0.368248 F\n0.390526 0.618716 0.952410 F\n",
"nsites": 17,
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"elements": [
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"density": 5.948493275676092,
"density_atomic": 0.057564254982204924,
"volume": 295.32215791301877,
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"formula_full": "Ba3 Bi2 F12",
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"spacegroup": 1
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{
"id": "jvasp-108774",
"created_at": "2022-09-04T14:38:20.052200Z",
"updated_at": "2022-09-04T14:38:20.052226Z",
"structure_string": "K2 Pd1 Br3 Cl1\n1.0\n7.281064 -0.206641 0.000000\n-0.240116 7.280037 0.000000\n-0.000000 -0.000000 4.188056\nK Pd Br Cl\n2 1 3 1\ndirect\n0.510028 0.012489 0.500001 K\n0.987511 0.489972 0.500001 K\n0.998407 0.001593 -0.000000 Pd\n0.230182 0.769818 -0.000000 Br\n0.247838 0.249992 -0.000000 Br\n0.750007 0.752162 -0.000000 Br\n0.776024 0.223975 -0.000000 Cl\n",
"nsites": 7,
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"elements": [
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"density": 3.4424408818205903,
"density_atomic": 0.03156195134565277,
"volume": 221.78603354840274,
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"formula_full": "K2 Pd1 Br3 Cl1",
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{
"id": "jvasp-118227",
"created_at": "2022-09-04T14:38:31.708742Z",
"updated_at": "2022-09-04T14:38:31.708769Z",
"structure_string": "Rb2 Cu1 Se1\n1.0\n-0.000000 4.019824 4.019824\n4.019824 0.000000 4.019824\n4.019824 4.019824 -0.000000\nRb Cu Se\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.749999 0.749999 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Se\n",
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{
"id": "jvasp-108598",
"created_at": "2022-09-04T14:38:20.099346Z",
"updated_at": "2022-09-04T14:38:20.099375Z",
"structure_string": "Na2 Li1 Sc1 F6\n1.0\n4.858254 -0.000000 2.804914\n1.619418 4.580406 2.804914\n-0.000000 -0.000000 5.609829\nNa Li Sc F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.749999 0.750001 0.749999 Na\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Sc\n0.252334 0.252335 0.747665 F\n0.252334 0.747666 0.747665 F\n0.747665 0.747666 0.252333 F\n0.252334 0.747666 0.252333 F\n0.747665 0.252335 0.747665 F\n0.747665 0.252335 0.252334 F\n",
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"density_atomic": 0.08010621003532536,
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{
"id": "jvasp-12533",
"created_at": "2022-09-04T14:38:34.991197Z",
"updated_at": "2022-09-04T14:38:34.991221Z",
"structure_string": "Rb2 Ni2 Cl6\n1.0\n3.448746 -5.973404 -0.000000\n3.448746 5.973404 -0.000000\n-0.000000 0.000000 5.868609\nRb Ni Cl\n2 2 6\ndirect\n0.666667 0.333334 0.250000 Rb\n0.333334 0.666667 0.750000 Rb\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.840364 0.680726 0.750000 Cl\n0.159638 0.840363 0.250000 Cl\n0.680726 0.840364 0.250000 Cl\n0.319275 0.159638 0.750000 Cl\n0.159638 0.319275 0.250000 Cl\n0.840363 0.159638 0.750000 Cl\n",
"nsites": 10,
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"elements": [
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"volume": 241.79553070198102,
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"formula_full": "Rb2 Ni2 Cl6",
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},
{
"id": "jvasp-109231",
"created_at": "2022-09-04T14:38:20.135762Z",
"updated_at": "2022-09-04T14:38:20.135788Z",
"structure_string": "Na2 Ga1 Ag1 Br6\n1.0\n6.516091 -0.000000 3.762067\n2.172030 6.143430 3.762067\n-0.000000 -0.000000 7.524134\nNa Ga Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.758977 0.241023 0.241023 Br\n0.241023 0.241023 0.758977 Br\n0.241023 0.758977 0.758977 Br\n0.241023 0.758977 0.241023 Br\n0.758977 0.241023 0.758977 Br\n0.758977 0.758977 0.241024 Br\n",
"nsites": 10,
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],
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"volume": 301.19972873930305,
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"formula_full": "Na2 Ga1 Ag1 Br6",
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{
"id": "jvasp-116190",
"created_at": "2022-09-04T14:38:40.551257Z",
"updated_at": "2022-09-04T14:38:40.551282Z",
"structure_string": "Na3 I1 O1\n1.0\n4.675488 0.000000 0.000000\n-0.000000 4.675488 -0.000000\n0.000000 -0.000000 4.675488\nNa I O\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 I\n0.500000 0.500000 0.500000 O\n",
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},
{
"id": "jvasp-20271",
"created_at": "2022-09-04T14:38:35.006277Z",
"updated_at": "2022-09-04T14:38:35.006293Z",
"structure_string": "Tm5 Mg24\n1.0\n9.122518 0.000000 -3.225297\n-4.561259 7.900333 -3.225297\n-0.000000 -0.000000 9.675892\nTm Mg\n5 24\ndirect\n0.000000 0.000000 0.000000 Tm\n0.371741 -0.000000 -0.000000 Tm\n-0.000000 0.371740 -0.000000 Tm\n0.000000 0.000000 0.371741 Tm\n0.628259 0.628259 0.628259 Tm\n0.809415 0.000000 0.628957 Mg\n0.190585 0.819541 0.190584 Mg\n0.819541 0.190585 0.190585 Mg\n-0.000000 0.809415 0.628957 Mg\n0.809415 0.628957 -0.000001 Mg\n0.628957 0.809415 -0.000001 Mg\n0.371043 0.371043 0.180458 Mg\n0.677786 0.677786 0.288449 Mg\n0.389338 0.711551 0.389337 Mg\n0.190585 0.190585 0.819541 Mg\n0.610662 0.000000 0.322214 Mg\n0.322214 0.000000 0.610662 Mg\n0.677786 0.288449 0.677785 Mg\n0.288449 0.677786 0.677785 Mg\n-0.000000 0.322214 0.610662 Mg\n0.322214 0.610662 -0.000000 Mg\n0.610662 0.322214 -0.000000 Mg\n0.389338 0.389338 0.711550 Mg\n0.628957 0.000000 0.809415 Mg\n-0.000000 0.628957 0.809414 Mg\n0.180459 0.371043 0.371042 Mg\n0.371043 0.180459 0.371043 Mg\n-0.000000 0.610662 0.322214 Mg\n0.711551 0.389338 0.389337 Mg\n",
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{
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{
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}