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"results": [
{
"id": "jvasp-88036",
"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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{
"id": "jvasp-11382",
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"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",
"nsites": 16,
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],
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"density": 4.344320070765534,
"density_atomic": 0.03253851859079174,
"volume": 491.7249061402547,
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"formula_full": "Rb4 Nb2 Cu2 Se8",
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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",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Cu-Nb-Rb-S",
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"density_atomic": 0.035959671958638605,
"volume": 444.9428798572873,
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"formula_full": "Rb4 Nb2 Cu2 S8",
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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",
"nsites": 10,
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"density_atomic": 0.042171626241660716,
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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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"elements": [
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],
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"density": 4.460003573716539,
"density_atomic": 0.03125155964070097,
"volume": 511.9744481220113,
"volume_molar": 19.269888700712936,
"formula_full": "Rb4 Nb2 Ag2 Se8",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 70
},
{
"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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],
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"density": 3.549670072386925,
"density_atomic": 0.03420462049934378,
"volume": 467.7730600842936,
"volume_molar": 17.60622007227221,
"formula_full": "Rb4 Nb2 Ag2 S8",
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},
{
"id": "jvasp-107415",
"created_at": "2022-09-04T14:36:58.262907Z",
"updated_at": "2022-09-04T14:36:58.262926Z",
"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",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Ag-F-Nb-Rb",
"density": 4.457425374365021,
"density_atomic": 0.05526705769997392,
"volume": 180.9396124231292,
"volume_molar": 10.896438150719288,
"formula_full": "Rb2 Nb1 Ag1 F6",
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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",
"nsites": 10,
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],
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"density_atomic": 0.0573117149392392,
"volume": 174.48439661248685,
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"formula_full": "Rb2 Na1 Y1 F6",
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},
{
"id": "jvasp-103576",
"created_at": "2022-09-04T14:36:45.376997Z",
"updated_at": "2022-09-04T14:36:45.377022Z",
"structure_string": "Rb2 Na1 Y1 Cl6\n1.0\n6.475719 -0.000000 3.738758\n2.158573 6.105366 3.738758\n-0.000000 -0.000000 7.477516\nRb Na Y Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Y\n0.752940 0.247060 0.247060 Cl\n0.247060 0.247060 0.752941 Cl\n0.247059 0.752941 0.752941 Cl\n0.247059 0.752941 0.247060 Cl\n0.752940 0.247060 0.752941 Cl\n0.752940 0.752941 0.247060 Cl\n",
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"density": 2.7834206422282737,
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"volume": 295.6358178686252,
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},
{
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"created_at": "2022-09-04T14:38:38.908769Z",
"updated_at": "2022-09-04T14:38:38.908779Z",
"structure_string": "Rb2 Na1 Y1 Br6\n1.0\n6.841645 0.000000 3.950025\n2.280548 6.450364 3.950025\n-0.000000 -0.000000 7.900050\nRb Na Y Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Y\n0.752651 0.247348 0.247349 Br\n0.247348 0.247348 0.752652 Br\n0.247348 0.752651 0.752653 Br\n0.247348 0.752651 0.247349 Br\n0.752651 0.247348 0.752653 Br\n0.752652 0.752651 0.247349 Br\n",
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],
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"formula_full": "Rb2 Na1 Y1 Br6",
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},
{
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"created_at": "2022-09-04T14:37:30.302384Z",
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"structure_string": "Rb2 Na1 V1 F6\n1.0\n5.189553 0.000000 2.996190\n1.729851 4.892758 2.996190\n-0.000000 -0.000000 5.992380\nRb Na V F\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 V\n0.231340 0.768660 0.768660 F\n0.231340 0.768660 0.231340 F\n0.768659 0.231340 0.768660 F\n0.231340 0.231340 0.768660 F\n0.768659 0.231340 0.231340 F\n0.768659 0.768660 0.231340 F\n",
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],
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"formula_full": "Rb2 Na1 V1 F6",
"formula_reduced": "Rb2NaVF6",
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},
{
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"created_at": "2022-09-04T14:36:48.642691Z",
"updated_at": "2022-09-04T14:36:48.642711Z",
"structure_string": "Rb2 Na1 V1 Cl6\n1.0\n6.203744 -0.000000 3.581733\n2.067915 5.848946 3.581733\n-0.000000 -0.000000 7.163466\nRb Na V Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750001 0.750000 Rb\n0.499999 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 V\n0.764707 0.235293 0.235293 Cl\n0.235292 0.764708 0.764707 Cl\n0.235292 0.764708 0.235293 Cl\n0.764707 0.235293 0.764707 Cl\n0.235292 0.235293 0.764708 Cl\n0.764706 0.764708 0.235293 Cl\n",
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}
]
}