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{
"id": "jvasp-105626",
"created_at": "2022-09-04T14:35:44.357565Z",
"updated_at": "2022-09-04T14:35:44.357591Z",
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{
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"structure_string": "Ba4 Nb1 Br1\n1.0\n0.000000 5.085319 5.085319\n5.085319 -0.000000 5.085319\n5.085319 5.085319 -0.000000\nBa Nb Br\n4 1 1\ndirect\n0.123870 0.625377 0.625377 Ba\n0.625377 0.625377 0.625377 Ba\n0.625377 0.123870 0.625377 Ba\n0.625377 0.625377 0.123870 Ba\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Br\n",
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{
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"updated_at": "2022-09-04T14:37:01.527382Z",
"structure_string": "Sr2 Ca4 I12\n1.0\n7.462624 -0.000000 0.000000\n-0.000000 7.462624 0.000000\n0.000000 0.000000 14.165207\nSr Ca I\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.332929 Ca\n0.000000 0.000000 0.667071 Ca\n0.500000 0.500000 0.167071 Ca\n0.500000 0.500000 0.832929 Ca\n0.807549 0.192451 0.500000 I\n0.692450 0.692450 0.000000 I\n0.703616 0.703616 0.673021 I\n0.703616 0.703616 0.326979 I\n0.296384 0.296384 0.673021 I\n0.192451 0.807549 0.500000 I\n0.307549 0.307549 0.000000 I\n0.796384 0.203616 0.173021 I\n0.203616 0.796384 0.826979 I\n0.203616 0.796384 0.173021 I\n0.296384 0.296384 0.326979 I\n0.796384 0.203616 0.826979 I\n",
"nsites": 18,
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"density_atomic": 0.02281741591350561,
"volume": 788.8711004012429,
"volume_molar": 26.392737822846538,
"formula_full": "Sr2 Ca4 I12",
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"spacegroup": 136
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{
"id": "jvasp-100122",
"created_at": "2022-09-04T14:36:17.893239Z",
"updated_at": "2022-09-04T14:36:17.893258Z",
"structure_string": "K2 Rb1 Nd1 Br6\n1.0\n7.383127 -0.000000 4.262651\n2.461043 6.960880 4.262651\n-0.000000 -0.000000 8.525301\nK Rb Nd Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Nd\n0.762806 0.237194 0.237194 Br\n0.237194 0.237194 0.762806 Br\n0.237194 0.762806 0.762806 Br\n0.237194 0.762806 0.237194 Br\n0.762806 0.237194 0.762806 Br\n0.762806 0.762806 0.237194 Br\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Br-K-Nd-Rb",
"density": 2.9839525352147223,
"density_atomic": 0.022823686465595495,
"volume": 438.14131494813665,
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"formula_full": "K2 Rb1 Nd1 Br6",
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{
"id": "jvasp-99725",
"created_at": "2022-09-04T14:36:31.658294Z",
"updated_at": "2022-09-04T14:36:31.658317Z",
"structure_string": "Rb2 Tl1 Ga1 I6\n1.0\n7.383118 -0.000000 4.262645\n2.461040 6.960870 4.262645\n0.000000 0.000000 8.525290\nRb Tl Ga I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n0.766953 0.233047 0.233047 I\n0.233047 0.233047 0.766953 I\n0.233047 0.766953 0.766954 I\n0.233047 0.766953 0.233047 I\n0.766953 0.233047 0.766954 I\n0.766954 0.766953 0.233047 I\n",
"nsites": 10,
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{
"id": "jvasp-115582",
"created_at": "2022-09-04T14:38:29.038218Z",
"updated_at": "2022-09-04T14:38:29.038241Z",
"structure_string": "Ba1 Zn1 F1\n1.0\n4.089499 0.000000 0.000000\n0.000000 4.089499 0.000000\n0.000000 0.000000 7.859337\nBa Zn F\n1 1 1\ndirect\n0.000000 0.000000 0.301851 Ba\n0.000000 0.000000 0.737459 Zn\n0.000000 0.000000 -0.001920 F\n",
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{
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"created_at": "2022-09-04T14:36:05.622177Z",
"updated_at": "2022-09-04T14:36:05.622196Z",
"structure_string": "Ba4 Li1 Sb1\n1.0\n0.000000 5.084320 5.084320\n5.084320 -0.000000 5.084320\n5.084320 5.084320 0.000000\nBa Li Sb\n4 1 1\ndirect\n0.119196 0.626934 0.626934 Ba\n0.626934 0.626934 0.626934 Ba\n0.626934 0.119196 0.626934 Ba\n0.626934 0.626934 0.119196 Ba\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Sb\n",
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{
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"created_at": "2022-09-04T14:35:50.736100Z",
"updated_at": "2022-09-04T14:35:50.736129Z",
"structure_string": "Ba4 Tl1 Cd1\n1.0\n-0.000000 5.083711 5.083711\n5.083711 -0.000000 5.083711\n5.083711 5.083711 0.000000\nBa Tl Cd\n4 1 1\ndirect\n0.124023 0.625326 0.625326 Ba\n0.625326 0.625326 0.625326 Ba\n0.625326 0.124023 0.625326 Ba\n0.625326 0.625326 0.124023 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Cd\n",
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{
"id": "jvasp-64005",
"created_at": "2022-09-04T14:35:46.735689Z",
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"structure_string": "Ba1 Na1 Sc1\n1.0\n-0.000000 4.034702 4.034702\n4.034702 -0.000000 4.034702\n4.034702 4.034702 -0.000000\nBa Na Sc\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Sc\n",
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},
{
"id": "jvasp-110704",
"created_at": "2022-09-04T14:38:37.418580Z",
"updated_at": "2022-09-04T14:38:37.418608Z",
"structure_string": "Rb2 Ag1 Bi1 I6\n1.0\n7.381539 -0.000000 4.261733\n2.460513 6.959381 4.261733\n-0.000000 -0.000000 8.523467\nRb Ag Bi I\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 Ag\n0.000000 0.000000 0.000000 Bi\n0.745277 0.254723 0.254722 I\n0.254723 0.254723 0.745277 I\n0.254723 0.745277 0.745277 I\n0.254723 0.745277 0.254723 I\n0.745277 0.254723 0.745277 I\n0.745277 0.745277 0.254722 I\n",
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{
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"created_at": "2022-09-04T14:35:53.328485Z",
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"structure_string": "Ba4 Sr1 Pt1\n1.0\n0.000000 5.083226 5.083226\n5.083226 0.000000 5.083226\n5.083226 5.083226 0.000000\nBa Sr Pt\n4 1 1\ndirect\n0.132770 0.622411 0.622411 Ba\n0.622411 0.622411 0.622411 Ba\n0.622411 0.132770 0.622411 Ba\n0.622411 0.622411 0.132770 Ba\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Pt\n",
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}