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{
"id": "jvasp-108862",
"created_at": "2022-09-04T14:38:19.898225Z",
"updated_at": "2022-09-04T14:38:19.898245Z",
"structure_string": "Rb2 Na1 Pd1 F6\n1.0\n5.250121 -0.000000 3.031159\n1.750040 4.949861 3.031159\n-0.000000 -0.000000 6.062317\nRb Na Pd F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750001 Rb\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Pd\n0.238912 0.238912 0.761089 F\n0.238912 0.761088 0.761089 F\n0.761088 0.761088 0.238912 F\n0.238912 0.761088 0.238912 F\n0.761088 0.238912 0.761089 F\n0.761088 0.238912 0.238912 F\n",
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{
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"structure_string": "Rb12 Na4 Pb4 O16\n1.0\n6.665532 0.000000 0.000000\n0.000000 10.246613 -4.115775\n0.000000 0.026834 11.172194\nRb Na Pb O\n12 4 4 16\ndirect\n0.620561 0.316966 0.892779 Rb\n0.679934 0.970254 0.330194 Rb\n0.179934 0.029745 0.169805 Rb\n0.879439 0.316966 0.392780 Rb\n0.887135 0.540765 0.185585 Rb\n0.112865 0.459234 0.814414 Rb\n0.820066 0.970254 0.830193 Rb\n0.612865 0.540765 0.685585 Rb\n0.120561 0.683033 0.607219 Rb\n0.379439 0.683033 0.107220 Rb\n0.320066 0.029745 0.669805 Rb\n0.387135 0.459234 0.314414 Rb\n0.619816 0.125378 0.109550 Na\n0.880184 0.125378 0.609549 Na\n0.119816 0.874622 0.390450 Na\n0.380184 0.874622 0.890449 Na\n0.853715 0.758947 0.009163 Pb\n0.146285 0.241052 0.990836 Pb\n0.353715 0.241052 0.490837 Pb\n0.646285 0.758947 0.509162 Pb\n0.991823 0.793857 0.188838 O\n0.617670 0.896823 0.049478 O\n0.075206 0.773823 0.880642 O\n0.508177 0.793857 0.688838 O\n0.424793 0.773823 0.380641 O\n0.882330 0.896822 0.549478 O\n0.382330 0.103177 0.950521 O\n0.735810 0.568535 0.942311 O\n0.924793 0.226176 0.119357 O\n0.575206 0.226176 0.619357 O\n0.008177 0.206142 0.811161 O\n0.117670 0.103177 0.450521 O\n0.235810 0.431465 0.557688 O\n0.264189 0.431465 0.057688 O\n0.764189 0.568535 0.442311 O\n0.491823 0.206142 0.311161 O\n",
"nsites": 36,
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"elements": [
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],
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"formula_full": "Rb12 Na4 Pb4 O16",
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},
{
"id": "jvasp-111138",
"created_at": "2022-09-04T14:38:37.583357Z",
"updated_at": "2022-09-04T14:38:37.583379Z",
"structure_string": "Rb1 Na2 Ni1 O2\n1.0\n4.211234 -0.035501 -3.928309\n-0.819651 4.130851 -3.928309\n0.029401 0.035501 5.758927\nRb Na Ni O\n1 2 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.750000 0.500000 Na\n0.749999 0.250000 0.500000 Na\n0.500000 0.500000 -0.000000 Ni\n0.687229 0.687229 -0.000001 O\n0.312771 0.312771 -0.000000 O\n",
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],
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"density_atomic": 0.05929005860273897,
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"formula_full": "Rb1 Na2 Ni1 O2",
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},
{
"id": "jvasp-85435",
"created_at": "2022-09-04T14:35:45.226944Z",
"updated_at": "2022-09-04T14:35:45.226970Z",
"structure_string": "Rb1 Na2 Ni1 O2\n1.0\n4.259998 -0.000000 -1.825329\n-0.782119 4.187585 -1.825329\n-0.046005 -0.055392 5.776341\nRb Na Ni O\n1 2 1 2\ndirect\n-0.000001 -0.000001 -0.000000 Rb\n0.750000 0.249999 0.499999 Na\n0.249999 0.749998 0.499999 Na\n0.500000 0.500000 0.000000 Ni\n0.686986 0.686985 0.373971 O\n0.313017 0.313016 0.626032 O\n",
"nsites": 6,
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"elements": [
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],
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"formula_full": "Rb1 Na2 Ni1 O2",
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{
"id": "jvasp-34579",
"created_at": "2022-09-04T14:36:39.064888Z",
"updated_at": "2022-09-04T14:36:39.064905Z",
"structure_string": "Rb2 Na1 Ni1 F6\n1.0\n5.121366 -0.000000 2.956823\n1.707122 4.828472 2.956823\n-0.000000 -0.000000 5.913645\nRb Na Ni F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ni\n0.227637 0.772363 0.772364 F\n0.227637 0.772363 0.227637 F\n0.772364 0.227637 0.772363 F\n0.227637 0.227637 0.772364 F\n0.772364 0.227637 0.227636 F\n0.772364 0.772363 0.227636 F\n",
"nsites": 10,
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"density_atomic": 0.06838316834737705,
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"formula_full": "Rb2 Na1 Ni1 F6",
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{
"id": "jvasp-102416",
"created_at": "2022-09-04T14:36:47.280964Z",
"updated_at": "2022-09-04T14:36:47.280987Z",
"structure_string": "Rb2 Na1 Nd1 I6\n1.0\n7.508271 -0.000000 4.334902\n2.502757 7.078866 4.334902\n-0.000000 -0.000000 8.669805\nRb Na Nd I\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Nd\n0.748807 0.251193 0.251193 I\n0.251193 0.251193 0.748806 I\n0.251193 0.748807 0.748806 I\n0.251193 0.748807 0.251192 I\n0.748807 0.251193 0.748806 I\n0.748807 0.748807 0.251192 I\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.9624935956802294,
"density_atomic": 0.021701364407587753,
"volume": 460.800519828309,
"volume_molar": 27.75005592687248,
"formula_full": "Rb2 Na1 Nd1 I6",
"formula_reduced": "Rb2NaNdI6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-109891",
"created_at": "2022-09-04T14:38:20.615742Z",
"updated_at": "2022-09-04T14:38:20.615765Z",
"structure_string": "Rb2 Na1 Nd1 F6\n1.0\n5.531597 -0.000000 3.193669\n1.843866 5.215240 3.193669\n-0.000000 -0.000000 6.387338\nRb Na Nd F\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Nd\n0.748951 0.251050 0.251050 F\n0.251050 0.251050 0.748950 F\n0.251050 0.748950 0.748950 F\n0.251050 0.748950 0.251050 F\n0.748951 0.251050 0.748950 F\n0.748951 0.748950 0.251050 F\n",
"nsites": 10,
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],
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"density": 4.074688219080262,
"density_atomic": 0.05426943125183028,
"volume": 184.26579695660146,
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"formula_full": "Rb2 Na1 Nd1 F6",
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"spacegroup": 225
},
{
"id": "jvasp-107143",
"created_at": "2022-09-04T14:36:54.970859Z",
"updated_at": "2022-09-04T14:36:54.970871Z",
"structure_string": "Rb2 Na1 Nd1 Cl6\n1.0\n6.591686 -0.000000 3.805712\n2.197229 6.214701 3.805712\n-0.000000 -0.000000 7.611423\nRb Na Nd Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Nd\n0.748411 0.251589 0.251589 Cl\n0.251589 0.251589 0.748410 Cl\n0.251589 0.748411 0.748410 Cl\n0.251589 0.748411 0.251589 Cl\n0.748411 0.251589 0.748410 Cl\n0.748412 0.748411 0.251588 Cl\n",
"nsites": 10,
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"elements": [
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],
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"formula_full": "Rb2 Na1 Nd1 Cl6",
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},
{
"id": "jvasp-105077",
"created_at": "2022-09-04T14:36:46.379768Z",
"updated_at": "2022-09-04T14:36:46.379790Z",
"structure_string": "Rb2 Na1 Nd1 Br6\n1.0\n6.960519 -0.000000 4.018658\n2.320173 6.562440 4.018658\n-0.000000 -0.000000 8.037315\nRb Na Nd Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Nd\n0.748467 0.251533 0.251533 Br\n0.251533 0.251533 0.748468 Br\n0.251532 0.748467 0.748468 Br\n0.251532 0.748467 0.251533 Br\n0.748467 0.251533 0.748468 Br\n0.748467 0.748467 0.251533 Br\n",
"nsites": 10,
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"volume": 367.1283805845317,
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"formula_full": "Rb2 Na1 Nd1 Br6",
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},
{
"id": "jvasp-102415",
"created_at": "2022-09-04T14:36:45.678191Z",
"updated_at": "2022-09-04T14:36:45.678199Z",
"structure_string": "Rb2 Na1 Mo1 I6\n1.0\n7.182704 -0.000000 4.146936\n2.394235 6.771918 4.146936\n-0.000000 -0.000000 8.293872\nRb Na Mo I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Mo\n0.760866 0.239133 0.239134 I\n0.239133 0.239133 0.760867 I\n0.239133 0.760867 0.760867 I\n0.239133 0.760867 0.239134 I\n0.760866 0.239133 0.760867 I\n0.760866 0.760867 0.239134 I\n",
"nsites": 10,
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],
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"formula_full": "Rb2 Na1 Mo1 I6",
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},
{
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"created_at": "2022-09-04T14:37:50.278112Z",
"updated_at": "2022-09-04T14:37:50.278148Z",
"structure_string": "Rb2 Na1 Mo1 F6\n1.0\n5.291677 -0.000000 3.055152\n1.763892 4.989042 3.055152\n-0.000000 -0.000000 6.110303\nRb Na Mo F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.749999 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Mo\n0.239061 0.760938 0.760938 F\n0.239061 0.760938 0.239061 F\n0.760939 0.239061 0.760938 F\n0.239062 0.239061 0.760938 F\n0.760939 0.239061 0.239061 F\n0.760939 0.760938 0.239061 F\n",
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"formula_full": "Rb2 Na1 Mo1 F6",
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{
"id": "jvasp-108863",
"created_at": "2022-09-04T14:38:19.893281Z",
"updated_at": "2022-09-04T14:38:19.893304Z",
"structure_string": "Rb2 Na1 Mo1 Cl6\n1.0\n6.276400 -0.000000 3.623681\n2.092133 5.917446 3.623681\n-0.000000 -0.000000 7.247362\nRb Na Mo 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 Na\n0.000000 0.000000 0.000000 Mo\n0.761192 0.238808 0.238807 Cl\n0.238807 0.238808 0.761192 Cl\n0.238807 0.761193 0.761192 Cl\n0.238807 0.761193 0.238807 Cl\n0.761192 0.238808 0.761192 Cl\n0.761192 0.761193 0.238807 Cl\n",
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],
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}
]
}