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{
"id": "jvasp-21961",
"created_at": "2022-09-04T14:37:32.366706Z",
"updated_at": "2022-09-04T14:37:32.366731Z",
"structure_string": "Rb2 Na1 Y1 F6\n1.0\n5.431934 -0.000000 3.136129\n1.810645 5.121277 3.136129\n-0.000000 -0.000000 6.272257\nRb Na Y F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.750001 Rb\n0.499999 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Y\n0.244780 0.755220 0.755220 F\n0.244780 0.755220 0.244781 F\n0.755218 0.244781 0.755220 F\n0.244780 0.244781 0.755220 F\n0.755218 0.244781 0.244781 F\n0.755218 0.755220 0.244782 F\n",
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{
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"structure_string": "Rb2 Nb1 Ag1 F6\n1.0\n5.498111 -0.000000 3.174336\n1.832704 5.183669 3.174336\n-0.000000 -0.000000 6.348672\nRb Nb Ag F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500001 Ag\n0.766115 0.233885 0.233885 F\n0.233884 0.233885 0.766116 F\n0.233884 0.766116 0.766116 F\n0.233884 0.766116 0.233885 F\n0.766115 0.233885 0.766116 F\n0.766115 0.766116 0.233886 F\n",
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{
"id": "jvasp-11207",
"created_at": "2022-09-04T14:37:17.649220Z",
"updated_at": "2022-09-04T14:37:17.649230Z",
"structure_string": "Rb4 Nb2 Ag2 S8\n1.0\n5.749819 0.000000 1.448691\n2.874909 6.753026 0.724345\n0.020775 0.000000 12.052337\nRb Nb Ag S\n4 2 2 8\ndirect\n0.555557 0.250000 0.888887 Rb\n0.444444 0.750000 0.111113 Rb\n0.194445 0.250000 0.611113 Rb\n0.805556 0.750000 0.388887 Rb\n0.625001 0.750000 0.750000 Nb\n0.375000 0.250000 0.250000 Nb\n0.125001 0.750000 0.750000 Ag\n0.875000 0.250000 0.250000 Ag\n0.567799 0.545927 0.634820 S\n0.248546 0.954074 0.865180 S\n0.886275 0.545927 0.865180 S\n0.797382 0.954074 0.634820 S\n0.432202 0.454074 0.365180 S\n0.202619 0.045927 0.365180 S\n0.113726 0.454074 0.134820 S\n0.751455 0.045927 0.134820 S\n",
"nsites": 16,
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"density": 3.549670072386925,
"density_atomic": 0.03420462049934378,
"volume": 467.7730600842936,
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"formula_full": "Rb4 Nb2 Ag2 S8",
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{
"id": "jvasp-10562",
"created_at": "2022-09-04T14:37:18.782066Z",
"updated_at": "2022-09-04T14:37:18.782093Z",
"structure_string": "Rb4 Nb2 Ag2 Se8\n1.0\n5.916516 0.000000 1.479737\n2.958258 6.940000 0.739868\n0.023371 0.000000 12.474591\nRb Nb Ag Se\n4 2 2 8\ndirect\n0.806416 0.750000 0.387170 Rb\n0.193585 0.250000 0.612830 Rb\n0.443585 0.750000 0.112831 Rb\n0.556415 0.250000 0.887170 Rb\n0.375000 0.250000 0.250000 Nb\n0.625000 0.750000 0.750000 Nb\n0.875001 0.250000 0.250000 Ag\n0.125000 0.750000 0.750000 Ag\n0.759608 0.040746 0.131659 Se\n0.567988 0.540747 0.631659 Se\n0.891266 0.540747 0.868342 Se\n0.800355 0.959254 0.631659 Se\n0.432013 0.459254 0.368342 Se\n0.199646 0.040746 0.368342 Se\n0.108734 0.459254 0.131659 Se\n0.240393 0.959254 0.868342 Se\n",
"nsites": 16,
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{
"id": "jvasp-102404",
"created_at": "2022-09-04T14:37:08.598626Z",
"updated_at": "2022-09-04T14:37:08.598652Z",
"structure_string": "Rb2 Nb1 Au1 F6\n1.0\n6.016753 -0.000000 3.473774\n2.005584 5.672649 3.473774\n-0.000000 -0.000000 6.947548\nRb Nb Au F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Nb\n0.499999 0.500000 0.500000 Au\n0.801244 0.198756 0.198756 F\n0.198756 0.198756 0.801244 F\n0.198755 0.801244 0.801244 F\n0.198755 0.801244 0.198756 F\n0.801244 0.198756 0.801244 F\n0.801243 0.801244 0.198756 F\n",
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"density": 4.025181112280365,
"density_atomic": 0.042171626241660716,
"volume": 237.12625979126105,
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"formula_full": "Rb2 Nb1 Au1 F6",
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{
"id": "jvasp-11381",
"created_at": "2022-09-04T14:37:07.705344Z",
"updated_at": "2022-09-04T14:37:07.705361Z",
"structure_string": "Rb4 Nb2 Cu2 S8\n1.0\n5.453414 -0.000000 1.279318\n2.726707 6.716190 0.639660\n0.025505 -0.000000 12.154208\nRb Nb Cu S\n4 2 2 8\ndirect\n0.803300 0.750000 0.393400 Rb\n0.446700 0.750000 0.106601 Rb\n0.196699 0.250000 0.606601 Rb\n0.553299 0.250000 0.893400 Rb\n0.375000 0.250000 0.250000 Nb\n0.624999 0.750000 0.750000 Nb\n0.874999 0.250000 0.250000 Cu\n0.125000 0.750000 0.750000 Cu\n0.227525 0.947946 0.860443 S\n0.535914 0.552054 0.639557 S\n0.824528 0.947946 0.639557 S\n0.912030 0.552054 0.860443 S\n0.087969 0.447946 0.139557 S\n0.464085 0.447946 0.360443 S\n0.175471 0.052054 0.360443 S\n0.772474 0.052054 0.139557 S\n",
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"volume": 444.9428798572873,
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"formula_full": "Rb4 Nb2 Cu2 S8",
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{
"id": "jvasp-11382",
"created_at": "2022-09-04T14:37:03.326152Z",
"updated_at": "2022-09-04T14:37:03.326190Z",
"structure_string": "Rb4 Nb2 Cu2 Se8\n1.0\n5.642390 0.000000 1.325156\n2.821195 6.927209 0.662578\n0.021007 -0.000000 12.585518\nRb Nb Cu Se\n4 2 2 8\ndirect\n0.804308 0.750000 0.391384 Rb\n0.445691 0.750000 0.108616 Rb\n0.554309 0.250000 0.891384 Rb\n0.195693 0.250000 0.608616 Rb\n0.375000 0.250000 0.250000 Nb\n0.625000 0.750000 0.750000 Nb\n0.875000 0.250000 0.250000 Cu\n0.125000 0.750000 0.750000 Cu\n0.914176 0.547002 0.863784 Se\n0.824961 0.952998 0.636217 Se\n0.538821 0.547002 0.636217 Se\n0.222040 0.952998 0.863784 Se\n0.461178 0.452998 0.363784 Se\n0.777959 0.047002 0.136216 Se\n0.175039 0.047002 0.363784 Se\n0.085823 0.452998 0.136216 Se\n",
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{
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"created_at": "2022-09-04T14:36:03.285545Z",
"updated_at": "2022-09-04T14:36:03.285579Z",
"structure_string": "Rb2 Nb2 Ge6 O18\n1.0\n7.124373 -0.000000 0.000000\n-3.562186 6.169889 -0.000000\n-0.000000 -0.000000 10.350850\nRb Nb Ge O\n2 2 6 18\ndirect\n0.666667 0.333333 0.000000 Rb\n0.666667 0.333333 0.500000 Rb\n0.333333 0.666667 0.000000 Nb\n0.333333 0.666667 0.500000 Nb\n0.073846 0.784597 0.750000 Ge\n0.710750 0.926154 0.750000 Ge\n0.215403 0.289249 0.750000 Ge\n0.215403 0.926154 0.250000 Ge\n0.073846 0.289249 0.250000 Ge\n0.710750 0.784597 0.250000 Ge\n0.560945 0.659002 0.110170 O\n0.098057 0.659002 0.610170 O\n0.340998 0.439055 0.610170 O\n0.098057 0.659002 0.889830 O\n0.340998 0.439055 0.889830 O\n0.560945 0.901943 0.889830 O\n0.340998 0.901943 0.110170 O\n0.560945 0.659002 0.389830 O\n0.801034 0.733271 0.750000 O\n0.098057 0.439055 0.110170 O\n0.266730 0.067764 0.750000 O\n0.932235 0.198966 0.750000 O\n0.098057 0.439055 0.389830 O\n0.801034 0.067764 0.250000 O\n0.932235 0.733271 0.250000 O\n0.266729 0.198966 0.250000 O\n0.340998 0.901943 0.389830 O\n0.560945 0.901943 0.610170 O\n",
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},
{
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"created_at": "2022-09-04T14:35:58.370330Z",
"updated_at": "2022-09-04T14:35:58.370365Z",
"structure_string": "Rb2 Nb1 Hg1 F6\n1.0\n5.964843 0.000000 3.443803\n1.988281 5.623708 3.443803\n0.000000 0.000000 6.887608\nRb Nb Hg F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Hg\n0.793721 0.206279 0.206278 F\n0.206278 0.206279 0.793722 F\n0.206278 0.793722 0.793721 F\n0.206278 0.793722 0.206278 F\n0.793721 0.206279 0.793721 F\n0.793721 0.793722 0.206278 F\n",
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{
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"created_at": "2022-09-04T14:36:14.431412Z",
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"structure_string": "Rb2 Nd1 Ag1 Br6\n1.0\n6.932557 -0.000000 4.002514\n2.310852 6.536077 4.002514\n-0.000000 -0.000000 8.005027\nRb Nd Ag 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 Nd\n0.000000 0.000000 0.000000 Ag\n0.752279 0.247722 0.247721 Br\n0.247721 0.247722 0.752279 Br\n0.247721 0.752279 0.752278 Br\n0.247721 0.752279 0.247721 Br\n0.752279 0.247722 0.752278 Br\n0.752279 0.752279 0.247721 Br\n",
"nsites": 10,
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],
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{
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"structure_string": "Rb2 Nd1 Ag1 I6\n1.0\n7.431819 -0.000000 4.290762\n2.477273 7.006786 4.290762\n-0.000000 -0.000000 8.581525\nRb Nd Ag 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 Nd\n0.000000 0.000000 0.000000 Ag\n0.754059 0.245941 0.245941 I\n0.245941 0.245941 0.754058 I\n0.245941 0.754059 0.754058 I\n0.245941 0.754059 0.245941 I\n0.754059 0.245941 0.754058 I\n0.754058 0.754059 0.245941 I\n",
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],
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},
{
"id": "jvasp-102898",
"created_at": "2022-09-04T14:36:37.823030Z",
"updated_at": "2022-09-04T14:36:37.823053Z",
"structure_string": "Rb2 Nd1 Au1 Cl6\n1.0\n6.629192 -0.000000 3.827366\n2.209731 6.250063 3.827366\n0.000000 -0.000000 7.654732\nRb Nd Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500001 Au\n0.749747 0.250253 0.250253 Cl\n0.250253 0.250253 0.749747 Cl\n0.250253 0.749747 0.749748 Cl\n0.250253 0.749747 0.250253 Cl\n0.749747 0.250253 0.749748 Cl\n0.749747 0.749747 0.250254 Cl\n",
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}
]
}