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"results": [
{
"id": "jvasp-103745",
"created_at": "2022-09-04T14:36:53.631663Z",
"updated_at": "2022-09-04T14:36:53.631681Z",
"structure_string": "Mn1 P2 O7\n1.0\n4.957980 0.012315 0.739110\n-0.987662 4.858625 0.739110\n0.004751 0.005829 4.432633\nMn P O\n1 2 7\ndirect\n0.110883 0.889116 0.000000 Mn\n0.668403 0.736725 0.592727 P\n0.263274 0.331597 0.407273 P\n0.553446 0.446553 0.500000 O\n0.428842 0.855117 0.729608 O\n0.812324 0.932117 0.286363 O\n0.857707 0.660458 0.819927 O\n0.067881 0.187676 0.713637 O\n0.144882 0.571157 0.270392 O\n0.339540 0.142293 0.180072 O\n",
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{
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"structure_string": "Ba2 Dy1 Bi1 O6\n1.0\n5.324353 -0.000002 3.074017\n1.774784 5.019847 3.074016\n0.000001 -0.000002 6.148033\nBa Dy Bi O\n2 1 1 6\ndirect\n0.749999 0.750001 0.750001 Ba\n0.250000 0.250000 0.250000 Ba\n0.499999 0.500001 0.500000 Dy\n-0.000000 0.000000 -0.000000 Bi\n0.755056 0.244944 0.755057 O\n0.244943 0.244944 0.755057 O\n0.755055 0.755058 0.244944 O\n0.244942 0.755058 0.755057 O\n0.755056 0.244944 0.244944 O\n0.244942 0.755058 0.244944 O\n",
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{
"id": "jvasp-104900",
"created_at": "2022-09-04T14:36:45.219242Z",
"updated_at": "2022-09-04T14:36:45.219258Z",
"structure_string": "Rb6 Bi4\n1.0\n6.862785 0.004474 1.316113\n-0.503659 6.844280 1.316113\n-0.059378 -0.063950 9.735205\nRb Bi\n6 4\ndirect\n0.657426 0.757575 0.514414 Rb\n0.342574 0.242425 0.485586 Rb\n0.242425 0.342574 0.985586 Rb\n0.757575 0.657425 0.014413 Rb\n0.842275 0.157725 0.750000 Rb\n0.157725 0.842274 0.250000 Rb\n0.318122 0.884491 0.843923 Bi\n0.681879 0.115509 0.156077 Bi\n0.115509 0.681878 0.656077 Bi\n0.884491 0.318121 0.343923 Bi\n",
"nsites": 10,
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"elements": [
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"density": 4.885223406768391,
"density_atomic": 0.021812770465701427,
"volume": 458.44703751520603,
"volume_molar": 27.608325909215715,
"formula_full": "Rb6 Bi4",
"formula_reduced": "Rb3Bi2",
"formula_anonymous": "A2B3",
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"spacegroup": 15
},
{
"id": "jvasp-11802",
"created_at": "2022-09-04T14:37:05.605355Z",
"updated_at": "2022-09-04T14:37:05.605372Z",
"structure_string": "Ba2 Ca1 W1 O6\n1.0\n5.170504 0.000000 -2.982799\n-1.720740 4.875774 -2.982799\n0.009088 0.012844 5.988533\nBa Ca W O\n2 1 1 6\ndirect\n0.250000 0.749999 0.499999 Ba\n0.749998 0.249998 0.499998 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.499998 0.999998 W\n0.755837 0.701979 -0.000001 O\n0.298020 0.755837 -0.000001 O\n0.701980 0.244162 -0.000000 O\n0.244161 0.298020 -0.000000 O\n0.270752 0.270753 0.541505 O\n0.729246 0.729246 0.458493 O\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Ba-Ca-O-W",
"density": 6.5225263715012,
"density_atomic": 0.06606400867178015,
"volume": 151.36835019627853,
"volume_molar": 9.115615114909629,
"formula_full": "Ba2 Ca1 W1 O6",
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"spacegroup": 87
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{
"id": "jvasp-102063",
"created_at": "2022-09-04T14:37:03.494484Z",
"updated_at": "2022-09-04T14:37:03.494507Z",
"structure_string": "K2 Na1 Tl1 Cl6\n1.0\n6.431362 -0.000000 3.713149\n2.143787 6.063546 3.713149\n-0.000000 -0.000000 7.426296\nK Na Tl Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tl\n0.753103 0.246897 0.246897 Cl\n0.246897 0.246897 0.753103 Cl\n0.246897 0.753103 0.753103 Cl\n0.246897 0.753103 0.246897 Cl\n0.753103 0.246897 0.753103 Cl\n0.753103 0.753103 0.246897 Cl\n",
"nsites": 10,
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"elements": [
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"density": 2.9717897923302865,
"density_atomic": 0.03453012198725565,
"volume": 289.6022204523573,
"volume_molar": 17.440253359726466,
"formula_full": "K2 Na1 Tl1 Cl6",
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"spacegroup": 225
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{
"id": "jvasp-102602",
"created_at": "2022-09-04T14:36:44.140033Z",
"updated_at": "2022-09-04T14:36:44.140055Z",
"structure_string": "Rb4 P4 Pt2\n1.0\n7.871696 -0.081674 0.000000\n-5.149555 5.954187 0.000000\n-0.000000 -0.000000 6.166781\nRb P Pt\n4 4 2\ndirect\n0.789378 0.210623 0.250000 Rb\n0.210623 0.789378 0.750000 Rb\n0.418223 0.581778 0.250000 Rb\n0.581778 0.418224 0.750000 Rb\n0.935766 0.722846 0.250000 P\n0.064235 0.277155 0.750000 P\n0.277155 0.064236 0.250000 P\n0.722846 0.935766 0.750000 P\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "P-Pt-Rb",
"density": 4.961979117716156,
"density_atomic": 0.03491125255849535,
"volume": 286.440596287531,
"volume_molar": 17.24985590221845,
"formula_full": "Rb4 P4 Pt2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 63
},
{
"id": "jvasp-103164",
"created_at": "2022-09-04T14:36:43.966797Z",
"updated_at": "2022-09-04T14:36:43.966807Z",
"structure_string": "K2 Li1 Nd1 Br6\n1.0\n6.738607 -0.000000 3.890536\n2.246203 6.353219 3.890536\n-0.000000 -0.000000 7.781072\nK Li 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 Li\n0.000000 0.000000 0.000000 Nd\n0.741058 0.258942 0.258943 Br\n0.258942 0.258942 0.741058 Br\n0.258942 0.741058 0.741058 Br\n0.258942 0.741058 0.258943 Br\n0.741058 0.258942 0.741058 Br\n0.741058 0.741058 0.258943 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Nd",
"Br"
],
"chemical_system": "Br-K-Li-Nd",
"density": 3.533227673767794,
"density_atomic": 0.030019026985627754,
"volume": 333.12205638069855,
"volume_molar": 20.06107913785223,
"formula_full": "K2 Li1 Nd1 Br6",
"formula_reduced": "K2LiNdBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-107350",
"created_at": "2022-09-04T14:36:55.000471Z",
"updated_at": "2022-09-04T14:36:55.000481Z",
"structure_string": "Co1 Ni1 P2 S6\n1.0\n5.736928 0.000571 0.836621\n-3.049855 4.859087 0.836621\n0.040878 0.073929 6.438612\nCo Ni P S\n1 1 2 6\ndirect\n0.666846 0.333154 -0.000000 Co\n0.332650 0.667350 -0.000000 Ni\n0.061029 0.061033 0.820545 P\n0.938967 0.938972 0.179454 P\n0.069643 0.427887 0.763803 S\n0.437985 0.089234 0.764831 S\n0.910767 0.562016 0.235169 S\n0.572113 0.930358 0.236196 S\n0.730527 0.720525 0.764244 S\n0.279475 0.269474 0.235755 S\n",
"nsites": 10,
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"elements": [
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"S"
],
"chemical_system": "Co-Ni-P-S",
"density": 3.454753372829121,
"density_atomic": 0.05593284418234839,
"volume": 178.7858305112948,
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"formula_full": "Co1 Ni1 P2 S6",
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},
{
"id": "jvasp-107631",
"created_at": "2022-09-04T14:36:53.710300Z",
"updated_at": "2022-09-04T14:36:53.710320Z",
"structure_string": "Rb3 Sc1 Br6\n1.0\n7.093460 -0.000000 4.095411\n2.364487 6.687779 4.095411\n-0.000000 -0.000000 8.190823\nRb Sc Br\n3 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sc\n0.772313 0.227687 0.227686 Br\n0.227687 0.227687 0.772313 Br\n0.227687 0.772313 0.772313 Br\n0.227687 0.772313 0.227686 Br\n0.772313 0.227687 0.772313 Br\n0.772314 0.772313 0.227686 Br\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.3366606634909846,
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"volume": 388.5684889421299,
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"formula_full": "Rb3 Sc1 Br6",
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{
"id": "jvasp-48608",
"created_at": "2022-09-04T14:37:03.463866Z",
"updated_at": "2022-09-04T14:37:03.463897Z",
"structure_string": "Li2 Mn2 F6\n1.0\n5.284930 0.000001 0.000000\n-2.642466 1.525628 4.640881\n2.642467 -4.576884 -0.000000\nLi Mn F\n2 2 6\ndirect\n0.144792 0.434378 0.144792 Li\n0.855208 0.565621 0.855207 Li\n0.642392 0.927177 0.642391 Mn\n0.357608 0.072823 0.357608 Mn\n0.236740 0.747443 0.558947 F\n0.048245 0.252556 0.763260 F\n0.441052 0.252556 0.048244 F\n0.558948 0.747443 0.951755 F\n0.951756 0.747443 0.236739 F\n0.763261 0.252556 0.441052 F\n",
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"volume": 112.25601597173441,
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"formula_full": "Li2 Mn2 F6",
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{
"id": "jvasp-107398",
"created_at": "2022-09-04T14:36:54.955737Z",
"updated_at": "2022-09-04T14:36:54.955746Z",
"structure_string": "Na2 Y1 Ag1 F6\n1.0\n5.529546 -0.000000 3.192485\n1.843182 5.213306 3.192485\n-0.000000 -0.000000 6.384970\nNa Y Ag F\n2 1 1 6\ndirect\n0.750000 0.750001 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.499999 Ag\n0.762113 0.237887 0.237886 F\n0.237887 0.237887 0.762112 F\n0.237887 0.762113 0.762112 F\n0.237887 0.762113 0.237886 F\n0.762113 0.237887 0.762112 F\n0.762113 0.762113 0.237886 F\n",
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{
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"created_at": "2022-09-04T14:36:54.905626Z",
"updated_at": "2022-09-04T14:36:54.905636Z",
"structure_string": "K2 In1 Hg1 Cl6\n1.0\n6.521313 -0.000000 3.765082\n2.173771 6.148352 3.765082\n-0.000000 -0.000000 7.530163\nK In Hg Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Hg\n0.759541 0.240459 0.240459 Cl\n0.240459 0.240459 0.759541 Cl\n0.240459 0.759541 0.759541 Cl\n0.240459 0.759541 0.240459 Cl\n0.759541 0.240459 0.759541 Cl\n0.759541 0.759541 0.240459 Cl\n",
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}
]
}