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{
"id": "jvasp-34480",
"created_at": "2022-09-04T14:37:19.644776Z",
"updated_at": "2022-09-04T14:37:19.644799Z",
"structure_string": "K1 Rb2 Ni1 F6\n1.0\n5.358134 0.000000 3.093521\n1.786044 5.051698 3.093521\n-0.000000 -0.000000 6.187041\nK Rb Ni F\n1 2 1 6\ndirect\n0.499999 0.500000 0.500000 K\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ni\n0.216369 0.783630 0.783630 F\n0.216369 0.783630 0.216370 F\n0.783629 0.216370 0.783630 F\n0.216370 0.216370 0.783630 F\n0.783629 0.216370 0.216370 F\n0.783629 0.783630 0.216370 F\n",
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{
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"structure_string": "K2 Rb1 Nd1 F6\n1.0\n5.973235 -0.000000 3.448649\n1.991078 5.631620 3.448649\n-0.000000 -0.000000 6.897297\nK Rb Nd F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Nd\n0.767777 0.232223 0.232223 F\n0.232222 0.232223 0.767778 F\n0.232223 0.767777 0.767778 F\n0.232223 0.767777 0.232223 F\n0.767777 0.232223 0.767778 F\n0.767777 0.767777 0.232223 F\n",
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{
"id": "jvasp-100125",
"created_at": "2022-09-04T14:36:21.876006Z",
"updated_at": "2022-09-04T14:36:21.876040Z",
"structure_string": "K2 Rb1 Nd1 Cl6\n1.0\n7.042698 -0.000000 4.066104\n2.347566 6.639919 4.066104\n-0.000000 -0.000000 8.132207\nK Rb Nd Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Rb\n0.000000 0.000000 0.000000 Nd\n0.764058 0.235942 0.235942 Cl\n0.235943 0.235942 0.764058 Cl\n0.235943 0.764058 0.764057 Cl\n0.235943 0.764058 0.235942 Cl\n0.764058 0.235942 0.764057 Cl\n0.764058 0.764058 0.235941 Cl\n",
"nsites": 10,
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"volume": 380.28594266367105,
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"formula_full": "K2 Rb1 Nd1 Cl6",
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"spacegroup": 225
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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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"formula_full": "K2 Rb1 Nd1 Br6",
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{
"id": "jvasp-107799",
"created_at": "2022-09-04T14:38:18.315861Z",
"updated_at": "2022-09-04T14:38:18.315891Z",
"structure_string": "K2 Rb1 Nb1 F6\n1.0\n5.729952 -0.000000 3.308189\n1.909984 5.402250 3.308189\n-0.000000 -0.000000 6.616378\nK Rb Nb F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Nb\n0.776013 0.223986 0.223987 F\n0.223986 0.223986 0.776014 F\n0.223986 0.776014 0.776014 F\n0.223986 0.776014 0.223987 F\n0.776013 0.223986 0.776014 F\n0.776013 0.776014 0.223987 F\n",
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"elements": [
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{
"id": "jvasp-107628",
"created_at": "2022-09-04T14:36:53.215133Z",
"updated_at": "2022-09-04T14:36:53.215158Z",
"structure_string": "K2 Rb1 Mo1 I6\n1.0\n7.520408 -0.000000 4.341910\n2.506803 7.090309 4.341910\n-0.000000 -0.000000 8.683819\nK Rb Mo I\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 Mo\n0.772358 0.227642 0.227642 I\n0.227642 0.227642 0.772358 I\n0.227641 0.772358 0.772359 I\n0.227641 0.772358 0.227642 I\n0.772358 0.227642 0.772358 I\n0.772358 0.772358 0.227642 I\n",
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"I"
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"density_atomic": 0.02159646511453572,
"volume": 463.038740227418,
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"formula_full": "K2 Rb1 Mo1 I6",
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{
"id": "jvasp-26494",
"created_at": "2022-09-04T14:37:50.329231Z",
"updated_at": "2022-09-04T14:37:50.329250Z",
"structure_string": "K1 Rb2 Mo1 F6\n1.0\n5.565460 0.000000 3.213218\n1.855153 5.247165 3.213218\n0.000000 0.000000 6.426439\nK Rb Mo F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750001 0.750000 Rb\n0.000000 0.000000 0.000000 Mo\n0.226604 0.773396 0.773396 F\n0.226604 0.773396 0.226605 F\n0.773395 0.226605 0.773396 F\n0.226604 0.226605 0.773396 F\n0.773395 0.226605 0.226605 F\n0.773395 0.773396 0.226605 F\n",
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"density_atomic": 0.0532848593377157,
"volume": 187.67057142106168,
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"formula_full": "K1 Rb2 Mo1 F6",
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{
"id": "jvasp-105678",
"created_at": "2022-09-04T14:36:01.723638Z",
"updated_at": "2022-09-04T14:36:01.723669Z",
"structure_string": "K2 Rb1 Mo1 Cl6\n1.0\n6.657020 0.000000 3.843432\n2.219007 6.276298 3.843432\n0.000000 -0.000000 7.686864\nK Rb Mo Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Rb\n0.000000 0.000000 0.000000 Mo\n0.775804 0.224196 0.224195 Cl\n0.224196 0.224196 0.775803 Cl\n0.224196 0.775804 0.775803 Cl\n0.224196 0.775804 0.224195 Cl\n0.775804 0.224196 0.775803 Cl\n0.775804 0.775804 0.224195 Cl\n",
"nsites": 10,
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"density_atomic": 0.031136327390002008,
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},
{
"id": "jvasp-107141",
"created_at": "2022-09-04T14:36:56.327807Z",
"updated_at": "2022-09-04T14:36:56.327832Z",
"structure_string": "K2 Rb1 Mo1 Br6\n1.0\n7.008935 -0.000000 4.046610\n2.336312 6.608087 4.046610\n-0.000000 -0.000000 8.093221\nK Rb Mo Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Mo\n0.773689 0.226311 0.226311 Br\n0.226310 0.226311 0.773689 Br\n0.226310 0.773690 0.773689 Br\n0.226310 0.773690 0.226311 Br\n0.773689 0.226311 0.773689 Br\n0.773688 0.773690 0.226311 Br\n",
"nsites": 10,
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{
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"created_at": "2022-09-04T14:37:40.811289Z",
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"structure_string": "K2 Rb1 Mn2 F7\n1.0\n4.147987 0.000000 -0.783827\n-0.148116 4.145341 -0.783827\n-0.018971 -0.019661 11.267030\nK Rb Mn F\n2 1 2 7\ndirect\n0.314429 0.314429 0.628859 K\n0.685571 0.685571 0.371141 K\n0.500000 0.500000 -0.000000 Rb\n0.900660 0.900660 0.801319 Mn\n0.099340 0.099340 0.198680 Mn\n0.901371 0.401371 0.802741 F\n0.401370 0.901370 0.802741 F\n0.195686 0.195686 0.391371 F\n0.804314 0.804314 0.608628 F\n0.000000 0.000000 0.000000 F\n0.598630 0.098630 0.197259 F\n0.098629 0.598629 0.197259 F\n",
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{
"id": "jvasp-108112",
"created_at": "2022-09-04T14:35:46.764925Z",
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"structure_string": "K1 Rb1 Mn1 F6\n1.0\n5.064518 -0.000000 2.924001\n1.688173 4.774874 2.924001\n-0.000000 -0.000000 5.848002\nK Rb Mn F\n1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.749999 0.750000 Rb\n0.000000 0.000000 0.000000 Mn\n0.778558 0.778558 0.221442 F\n0.221442 0.778558 0.221442 F\n0.778558 0.221442 0.221442 F\n0.221442 0.221442 0.778558 F\n0.778558 0.221442 0.778558 F\n0.221442 0.778558 0.778558 F\n",
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{
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"created_at": "2022-09-04T14:35:53.221204Z",
"updated_at": "2022-09-04T14:35:53.221222Z",
"structure_string": "K2 Rb1 Lu1 Cl6\n1.0\n6.831606 0.000000 3.944230\n2.277202 6.440900 3.944230\n-0.000000 -0.000000 7.888458\nK Rb Lu Cl\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 Lu\n0.770791 0.229209 0.229209 Cl\n0.229210 0.229209 0.770791 Cl\n0.229209 0.770791 0.770791 Cl\n0.229209 0.770791 0.229210 Cl\n0.770791 0.229209 0.770791 Cl\n0.770791 0.770791 0.229209 Cl\n",
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}
]
}