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{
"id": "jvasp-109888",
"created_at": "2022-09-04T14:38:11.428156Z",
"updated_at": "2022-09-04T14:38:11.428179Z",
"structure_string": "Rb2 Lu1 Ag1 Cl6\n1.0\n6.428489 -0.000000 3.711490\n2.142830 6.060837 3.711490\n-0.000000 -0.000000 7.422979\nRb Lu Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Ag\n0.756205 0.243796 0.243795 Cl\n0.243796 0.243796 0.756205 Cl\n0.243795 0.756205 0.756204 Cl\n0.243795 0.756205 0.243795 Cl\n0.756205 0.243796 0.756205 Cl\n0.756205 0.756205 0.243795 Cl\n",
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{
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"structure_string": "Rb1 Li1 Zn1 S2\n1.0\n3.827374 -0.015962 -6.250551\n-0.317603 3.814207 -6.250551\n0.014749 0.015962 7.329253\nRb Li Zn S\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.750000 0.500001 Li\n0.749999 0.250000 0.500000 Zn\n0.650539 0.650540 0.000001 S\n0.349461 0.349461 0.000000 S\n",
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{
"id": "jvasp-102093",
"created_at": "2022-09-04T14:36:38.612198Z",
"updated_at": "2022-09-04T14:36:38.612227Z",
"structure_string": "Rb2 Li1 Y1 I6\n1.0\n7.226104 -0.000000 4.171993\n2.408702 6.812836 4.171993\n-0.000000 -0.000000 8.343985\nRb Li Y I\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 Li\n0.000000 0.000000 0.000000 Y\n0.746506 0.253494 0.253494 I\n0.253493 0.253494 0.746507 I\n0.253493 0.746507 0.746506 I\n0.253493 0.746507 0.253493 I\n0.746506 0.253494 0.746507 I\n0.746506 0.746507 0.253493 I\n",
"nsites": 10,
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"chemical_system": "I-Li-Rb-Y",
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"density_atomic": 0.024344134730197396,
"volume": 410.77656325963466,
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"formula_full": "Rb2 Li1 Y1 I6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-110720",
"created_at": "2022-09-04T14:38:37.643759Z",
"updated_at": "2022-09-04T14:38:37.643779Z",
"structure_string": "Rb2 Li1 Y1 Cl6\n1.0\n6.295958 -0.000000 3.634973\n2.098653 5.935886 3.634973\n-0.000000 -0.000000 7.269946\nRb Li Y Cl\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 Li\n0.000000 0.000000 0.000000 Y\n0.745676 0.254325 0.254324 Cl\n0.254324 0.254325 0.745676 Cl\n0.254324 0.745676 0.745675 Cl\n0.254324 0.745676 0.254324 Cl\n0.745676 0.254325 0.745675 Cl\n0.745675 0.745676 0.254324 Cl\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Cl-Li-Rb-Y",
"density": 2.9306203278687075,
"density_atomic": 0.036806238940217235,
"volume": 271.6930685648855,
"volume_molar": 16.361739024140718,
"formula_full": "Rb2 Li1 Y1 Cl6",
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{
"id": "jvasp-105683",
"created_at": "2022-09-04T14:36:18.821562Z",
"updated_at": "2022-09-04T14:36:18.821588Z",
"structure_string": "Rb2 Li1 Y1 Br6\n1.0\n6.663139 0.000000 3.846965\n2.221046 6.282068 3.846965\n0.000000 0.000000 7.693930\nRb Li Y Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Y\n0.745849 0.254152 0.254151 Br\n0.254152 0.254152 0.745848 Br\n0.254152 0.745849 0.745847 Br\n0.254152 0.745849 0.254151 Br\n0.745849 0.254152 0.745847 Br\n0.745849 0.745849 0.254150 Br\n",
"nsites": 10,
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"volume": 322.05477080997133,
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"formula_full": "Rb2 Li1 Y1 Br6",
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{
"id": "jvasp-24425",
"created_at": "2022-09-04T14:38:31.833177Z",
"updated_at": "2022-09-04T14:38:31.833208Z",
"structure_string": "Rb4 Li2 V2 S8\n1.0\n5.610293 -0.000000 1.407999\n2.805147 6.529223 0.703999\n-0.010275 0.000000 11.922291\nRb Li V S\n4 2 2 8\ndirect\n0.446488 0.750000 0.107025 Rb\n0.196487 0.250000 0.607025 Rb\n0.553511 0.250000 0.892975 Rb\n0.803512 0.750000 0.392975 Rb\n0.125000 0.750000 0.750000 Li\n0.874999 0.250000 0.250000 Li\n0.625000 0.750000 0.750000 V\n0.375000 0.250000 0.250000 V\n0.197961 0.059288 0.356872 S\n0.802039 0.940712 0.643128 S\n0.445167 0.440712 0.356872 S\n0.257248 0.940712 0.856872 S\n0.554832 0.559288 0.643128 S\n0.885878 0.559288 0.856872 S\n0.742752 0.059288 0.143128 S\n0.114121 0.440712 0.143128 S\n",
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],
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"density": 2.714823636173756,
"density_atomic": 0.0366285136641273,
"volume": 436.81816157530426,
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"formula_full": "Rb4 Li2 V2 S8",
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{
"id": "jvasp-11782",
"created_at": "2022-09-04T14:37:09.984037Z",
"updated_at": "2022-09-04T14:37:09.984062Z",
"structure_string": "Rb4 Li2 V2 O8\n1.0\n5.882140 0.000000 -0.000000\n-2.941070 5.832106 -0.000000\n-0.000000 0.000000 7.906619\nRb Li V O\n4 2 2 8\ndirect\n0.604949 0.209900 0.550221 Rb\n0.395051 0.790101 0.050221 Rb\n0.938152 0.876303 0.408570 Rb\n0.061849 0.123697 0.908570 Rb\n0.799264 0.598527 0.829239 Li\n0.200737 0.401473 0.329239 Li\n0.309741 0.619482 0.611002 V\n0.690260 0.380519 0.111002 V\n0.404392 0.289614 0.218309 O\n0.595609 0.710387 0.718309 O\n0.633626 0.267252 0.908008 O\n0.366374 0.732748 0.408008 O\n0.885222 0.289614 0.218309 O\n0.114778 0.710387 0.718309 O\n0.162306 0.324613 0.577641 O\n0.837695 0.675388 0.077641 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Li-O-Rb-V",
"density": 3.585270060220261,
"density_atomic": 0.058988642952468695,
"volume": 271.2386520383649,
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"formula_full": "Rb4 Li2 V2 O8",
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"spacegroup": 36
},
{
"id": "jvasp-109104",
"created_at": "2022-09-04T14:38:14.127966Z",
"updated_at": "2022-09-04T14:38:14.127993Z",
"structure_string": "Rb2 Li1 V1 Cl6\n1.0\n6.932586 -0.000000 0.000000\n-3.466293 6.003796 0.000000\n-0.000000 -0.000000 5.932204\nRb Li V Cl\n2 1 1 6\ndirect\n0.333334 0.666667 0.251603 Rb\n0.666667 0.333334 0.748397 Rb\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 V\n0.838278 0.161723 0.264347 Cl\n0.161724 0.838278 0.735653 Cl\n0.838278 0.676554 0.264347 Cl\n0.161723 0.323446 0.735653 Cl\n0.323446 0.161723 0.264347 Cl\n0.676555 0.838278 0.735653 Cl\n",
"nsites": 10,
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],
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"density_atomic": 0.04050071867139368,
"volume": 246.90919884992468,
"volume_molar": 14.869219504130765,
"formula_full": "Rb2 Li1 V1 Cl6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 164
},
{
"id": "jvasp-99730",
"created_at": "2022-09-04T14:36:32.484226Z",
"updated_at": "2022-09-04T14:36:32.484242Z",
"structure_string": "Rb2 Li1 Tm1 Cl6\n1.0\n6.257527 0.000000 3.612785\n2.085842 5.899653 3.612785\n-0.000000 0.000000 7.225571\nRb Li Tm Cl\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 Li\n0.000000 0.000000 0.000000 Tm\n0.747461 0.252539 0.252540 Cl\n0.252540 0.252539 0.747461 Cl\n0.252540 0.747460 0.747461 Cl\n0.252540 0.747460 0.252540 Cl\n0.747461 0.252539 0.747461 Cl\n0.747461 0.747460 0.252541 Cl\n",
"nsites": 10,
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"volume": 266.74812384585914,
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"formula_full": "Rb2 Li1 Tm1 Cl6",
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{
"id": "jvasp-38116",
"created_at": "2022-09-04T14:38:00.616227Z",
"updated_at": "2022-09-04T14:38:00.616238Z",
"structure_string": "Rb2 Li1 Tl1 Cl6\n1.0\n0.000000 5.130811 5.130811\n5.130811 0.000000 5.130811\n5.130811 5.130811 0.000000\nRb Li Tl Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Tl\n0.245946 0.754054 0.754054 Cl\n0.245946 0.754054 0.245946 Cl\n0.754054 0.245946 0.754054 Cl\n0.754054 0.754054 0.245946 Cl\n0.245946 0.245946 0.754054 Cl\n0.754054 0.245946 0.245946 Cl\n",
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{
"id": "jvasp-104538",
"created_at": "2022-09-04T14:36:47.690446Z",
"updated_at": "2022-09-04T14:36:47.690473Z",
"structure_string": "Rb2 Li1 Tl1 Br6\n1.0\n6.677314 -0.000000 3.855149\n2.225771 6.295432 3.855149\n-0.000000 -0.000000 7.710298\nRb Li Tl Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Tl\n0.745836 0.254163 0.254164 Br\n0.254163 0.254163 0.745837 Br\n0.254163 0.745836 0.745837 Br\n0.254163 0.745836 0.254164 Br\n0.745836 0.254163 0.745837 Br\n0.745836 0.745836 0.254164 Br\n",
"nsites": 10,
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{
"id": "jvasp-106465",
"created_at": "2022-09-04T14:36:50.185745Z",
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"structure_string": "Rb2 Li1 Ti1 F6\n1.0\n5.059018 -0.000000 2.920825\n1.686339 4.769688 2.920825\n-0.000000 -0.000000 5.841651\nRb Li Ti 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 Li\n0.000000 0.000000 0.000000 Ti\n0.241949 0.241949 0.758052 F\n0.241949 0.758052 0.758052 F\n0.758052 0.758052 0.241949 F\n0.241949 0.758052 0.241949 F\n0.758052 0.241949 0.758052 F\n0.758052 0.241949 0.241949 F\n",
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}
]
}