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{
"id": "mp-1209338",
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"structure_string": "Rb2 Sr1 P4 O12\n1.0\n-3.838521 3.838521 5.222345\n3.838521 -3.838521 5.222345\n3.838521 3.838521 -5.222345\nRb Sr P O\n2 1 4 12\ndirect\n0.422676 0.922676 0.500000 Rb\n0.077324 0.577324 0.500000 Rb\n0.000000 0.000000 0.000000 Sr\n0.563246 0.002405 0.129747 P\n0.872659 0.433500 0.870253 P\n0.566500 0.436754 0.439159 P\n0.997595 0.127341 0.560841 P\n0.622203 0.262096 0.255995 O\n0.006101 0.366208 0.744005 O\n0.633792 0.377797 0.639893 O\n0.737904 0.993899 0.360107 O\n0.611006 0.917182 0.938423 O\n0.978759 0.672582 0.061577 O\n0.327418 0.388994 0.306176 O\n0.082818 0.021241 0.693824 O\n0.345996 0.903625 0.065739 O\n0.837886 0.280257 0.934261 O\n0.719743 0.654004 0.557628 O\n0.096375 0.162114 0.442372 O\n",
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{
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{
"id": "mp-510558",
"created_at": "2022-09-04T14:42:45.768441Z",
"structure_string": "Rb4 Sr2 V8 O24\n1.0\n11.290137 0.000000 0.000000\n0.000000 11.290137 0.000000\n0.000000 0.000000 5.593068\nRb Sr V O\n4 2 8 24\ndirect\n0.750000 0.750000 0.500000 Rb\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.250000 0.250000 0.500000 Rb\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.278215 0.000000 V\n0.278215 0.000000 0.000000 V\n0.721785 0.000000 0.000000 V\n0.000000 0.721785 0.000000 V\n0.500000 0.221785 0.000000 V\n0.221785 0.500000 0.000000 V\n0.778215 0.500000 0.000000 V\n0.500000 0.778215 0.000000 V\n0.129258 0.370742 0.941914 O\n0.370742 0.870742 0.941914 O\n0.629258 0.129258 0.941914 O\n0.870742 0.629258 0.941914 O\n0.870742 0.370742 0.058086 O\n0.129258 0.629258 0.058086 O\n0.370742 0.129258 0.058086 O\n0.629258 0.870742 0.058086 O\n0.805926 0.024950 0.242001 O\n0.024950 0.194074 0.242001 O\n0.975050 0.805926 0.242001 O\n0.194074 0.975050 0.242001 O\n0.194074 0.024950 0.757999 O\n0.805926 0.975050 0.757999 O\n0.024950 0.805926 0.757999 O\n0.975050 0.194074 0.757999 O\n0.694074 0.475050 0.757999 O\n0.475050 0.305926 0.757999 O\n0.524950 0.694074 0.757999 O\n0.305926 0.524950 0.757999 O\n0.305926 0.475050 0.242001 O\n0.694074 0.524950 0.242001 O\n0.475050 0.694074 0.242001 O\n0.524950 0.305926 0.242001 O\n",
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"formula_full": "Rb4 Sr2 V8 O24",
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},
{
"id": "mp-1110802",
"created_at": "2022-09-04T14:42:22.919899Z",
"structure_string": "Rb2 Ta1 Ag1 Br6\n1.0\n0.000000 5.500840 5.500840\n5.500840 0.000000 5.500840\n5.500840 5.500840 0.000000\nRb Ta Ag Br\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 Ta\n0.000000 0.000000 0.000000 Ag\n0.740016 0.259984 0.259984 Br\n0.259984 0.259984 0.740016 Br\n0.259984 0.740016 0.740016 Br\n0.259984 0.740016 0.259984 Br\n0.740016 0.259984 0.740016 Br\n0.740016 0.740016 0.259984 Br\n",
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"volume": 332.90248328598545,
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"formula_full": "Rb2 Ta1 Ag1 Br6",
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"updated_at": "2021-11-28T01:35:49.677000Z",
"spacegroup": 225
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{
"id": "mp-1110794",
"created_at": "2022-09-04T14:46:22.044011Z",
"structure_string": "Rb2 Ta1 Ag1 Cl6\n1.0\n0.000000 5.228027 5.228027\n5.228027 0.000000 5.228027\n5.228027 5.228027 0.000000\nRb Ta Ag Cl\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 Ta\n0.000000 0.000000 0.000000 Ag\n0.737797 0.262203 0.262203 Cl\n0.262203 0.262203 0.737797 Cl\n0.262203 0.737797 0.737797 Cl\n0.262203 0.737797 0.262203 Cl\n0.737797 0.262203 0.737797 Cl\n0.737797 0.737797 0.262203 Cl\n",
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{
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"structure_string": "Rb2 Ta1 Ag1 F6\n1.0\n0.000000 5.158891 5.158891\n5.158891 0.000000 5.158891\n5.158891 5.158891 0.000000\nRb Ta Ag F\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 Ta\n0.000000 0.000000 0.000000 Ag\n0.686792 0.313208 0.313208 F\n0.313208 0.313208 0.686792 F\n0.313208 0.686792 0.686792 F\n0.313208 0.686792 0.313208 F\n0.686792 0.313208 0.686792 F\n0.686792 0.686792 0.313208 F\n",
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"formula_full": "Rb2 Ta1 Ag1 F6",
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{
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"structure_string": "Rb2 Ta1 Ag1 I6\n1.0\n0.000000 5.887216 5.887216\n5.887216 0.000000 5.887216\n5.887216 5.887216 0.000000\nRb Ta Ag I\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ag\n0.257821 0.257821 0.742179 I\n0.257821 0.742179 0.742179 I\n0.742179 0.742179 0.257821 I\n0.257821 0.742179 0.257821 I\n0.742179 0.257821 0.742179 I\n0.742179 0.257821 0.257821 I\n",
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{
"id": "mp-1210520",
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"structure_string": "Rb8 Ta4 Ag4 S8\n1.0\n5.881509 0.000000 0.000000\n2.940754 6.185233 0.000000\n2.940754 0.000000 23.146372\nRb Ta Ag S\n8 4 4 8\ndirect\n0.504382 0.271682 0.607962 Rb\n0.887656 0.728318 0.607962 Rb\n0.223936 0.271682 0.392038 Rb\n0.245618 0.228318 0.892038 Rb\n0.384026 0.728318 0.392038 Rb\n0.862344 0.771682 0.892038 Rb\n0.526064 0.228318 0.107962 Rb\n0.365974 0.771682 0.107962 Rb\n0.875000 0.250000 0.250000 Ta\n0.875000 0.750000 0.250000 Ta\n0.875000 0.250000 0.750000 Ta\n0.375000 0.750000 0.750000 Ta\n0.375000 0.250000 0.250000 Ag\n0.375000 0.750000 0.250000 Ag\n0.375000 0.250000 0.750000 Ag\n0.875000 0.750000 0.750000 Ag\n0.990836 0.239010 0.151350 S\n0.857814 0.760990 0.151350 S\n0.770154 0.239010 0.848650 S\n0.759164 0.260990 0.348650 S\n0.381196 0.760990 0.848650 S\n0.892186 0.739010 0.348650 S\n0.979846 0.260990 0.651350 S\n0.368804 0.739010 0.651350 S\n",
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{
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"structure_string": "Rb4 Ta2 Ag2 S8\n1.0\n0.000000 6.983479 12.049813\n3.002820 0.000000 12.049813\n3.002820 6.983479 0.000000\nRb Ta Ag S\n4 2 2 8\ndirect\n0.429172 0.429172 0.070828 Rb\n0.820828 0.820828 0.179172 Rb\n0.070828 0.070828 0.429172 Rb\n0.179172 0.179172 0.820828 Rb\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Ta\n0.500000 0.500000 0.500000 Ag\n0.750000 0.750000 0.750000 Ag\n0.744254 0.366780 0.059632 S\n0.829333 0.059632 0.366780 S\n0.059632 0.829333 0.744254 S\n0.366780 0.744254 0.829333 S\n0.505746 0.883220 0.190368 S\n0.883220 0.505746 0.420667 S\n0.190368 0.420667 0.505746 S\n0.420667 0.190368 0.883220 S\n",
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{
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"structure_string": "Rb12 Ta8 Ag4 Se48\n1.0\n14.312933 0.000000 0.000000\n0.000000 10.031882 0.000000\n0.000000 8.532877 15.951157\nRb Ta Ag Se\n12 8 4 48\ndirect\n0.585229 0.350263 0.723257 Rb\n0.914771 0.350263 0.223257 Rb\n0.414771 0.649737 0.276743 Rb\n0.085229 0.649737 0.776743 Rb\n0.914674 0.720407 0.505236 Rb\n0.393980 0.837964 0.657249 Rb\n0.106020 0.837964 0.157249 Rb\n0.414674 0.279593 0.994764 Rb\n0.606020 0.162036 0.342751 Rb\n0.893980 0.162036 0.842751 Rb\n0.085326 0.279593 0.494764 Rb\n0.585326 0.720407 0.005236 Rb\n0.778649 0.714254 0.272699 Ta\n0.721351 0.714254 0.772699 Ta\n0.221735 0.922377 0.419687 Ta\n0.221351 0.285746 0.727301 Ta\n0.278265 0.922377 0.919687 Ta\n0.721735 0.077623 0.080313 Ta\n0.278649 0.285746 0.227301 Ta\n0.778265 0.077623 0.580313 Ta\n0.673194 0.382160 0.919187 Ag\n0.326806 0.617840 0.080813 Ag\n0.826806 0.382160 0.419187 Ag\n0.173194 0.617840 0.580813 Ag\n0.183828 0.010681 0.757731 Se\n0.724288 0.828587 0.365317 Se\n0.787267 0.573603 0.695757 Se\n0.212733 0.426397 0.304243 Se\n0.884473 0.850685 0.674584 Se\n0.115527 0.149315 0.325416 Se\n0.333393 0.155426 0.391510 Se\n0.316172 0.010681 0.257731 Se\n0.924208 0.099763 0.660010 Se\n0.775712 0.828587 0.865317 Se\n0.836717 0.106542 0.446123 Se\n0.712733 0.573603 0.195757 Se\n0.372896 0.515581 0.497813 Se\n0.275712 0.171413 0.634683 Se\n0.065908 0.396926 0.675801 Se\n0.816172 0.989319 0.242269 Se\n0.224288 0.171413 0.134683 Se\n0.833393 0.844574 0.108490 Se\n0.768501 0.348634 0.571855 Se\n0.565908 0.603074 0.824199 Se\n0.615527 0.850685 0.174584 Se\n0.163283 0.893458 0.553877 Se\n0.627104 0.484419 0.502187 Se\n0.872896 0.484419 0.002187 Se\n0.098794 0.901800 0.936004 Se\n0.575792 0.099763 0.160010 Se\n0.268501 0.651366 0.928145 Se\n0.384473 0.149315 0.825416 Se\n0.934092 0.603074 0.324199 Se\n0.849082 0.506436 0.859748 Se\n0.901206 0.098200 0.063996 Se\n0.666607 0.844574 0.608490 Se\n0.731499 0.348634 0.071855 Se\n0.434092 0.396926 0.175801 Se\n0.663283 0.106542 0.946123 Se\n0.598794 0.098200 0.563996 Se\n0.650918 0.506436 0.359748 Se\n0.127104 0.515581 0.997813 Se\n0.349082 0.493564 0.640252 Se\n0.231499 0.651366 0.428145 Se\n0.166607 0.155426 0.891510 Se\n0.424208 0.900237 0.839990 Se\n0.075792 0.900237 0.339990 Se\n0.401206 0.901800 0.436004 Se\n0.287267 0.426397 0.804243 Se\n0.336717 0.893458 0.053877 Se\n0.150918 0.493564 0.140252 Se\n0.683828 0.989319 0.742269 Se\n",
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"elements": [
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],
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"density_atomic": 0.03143614283344993,
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"volume_molar": 19.15674194479128,
"formula_full": "Rb12 Ta8 Ag4 Se48",
"formula_reduced": "Rb3Ta2AgSe12",
"formula_anonymous": "AB2C3D12",
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"formation_energy": null,
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"energy_uncorrected": -336.59720004,
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"updated_at": "2021-11-28T01:34:45.481000Z",
"spacegroup": 14
},
{
"id": "mp-1209358",
"created_at": "2022-09-04T14:48:22.268487Z",
"structure_string": "Rb6 Ta4 As2 S22\n1.0\n6.629852 7.401413 0.000000\n-6.629852 7.401413 0.000000\n0.000000 1.465517 9.684429\nRb Ta As S\n6 4 2 22\ndirect\n0.306310 0.460833 0.339764 Rb\n0.460833 0.306310 0.839764 Rb\n0.567339 0.699747 0.669692 Rb\n0.699747 0.567339 0.169692 Rb\n0.933192 0.095200 0.926747 Rb\n0.095200 0.933192 0.426747 Rb\n0.202098 0.662223 0.946473 Ta\n0.662223 0.202098 0.446473 Ta\n0.955240 0.538101 0.761350 Ta\n0.538101 0.955240 0.261350 Ta\n0.006466 0.323506 0.503184 As\n0.323506 0.006466 0.003184 As\n0.219270 0.636442 0.696049 S\n0.636442 0.219270 0.196049 S\n0.230748 0.833888 0.746764 S\n0.833888 0.230748 0.246764 S\n0.412231 0.583648 0.998561 S\n0.583648 0.412231 0.498561 S\n0.121328 0.336489 0.692785 S\n0.336489 0.121328 0.192785 S\n0.553146 0.052870 0.637758 S\n0.052870 0.553146 0.137758 S\n0.770942 0.435571 0.848946 S\n0.435571 0.770942 0.348946 S\n0.919083 0.542525 0.512948 S\n0.542525 0.919083 0.012948 S\n0.881671 0.781606 0.706715 S\n0.781606 0.881671 0.206715 S\n0.854192 0.173265 0.595810 S\n0.173265 0.854192 0.095810 S\n0.098434 0.438978 0.969318 S\n0.438978 0.098434 0.469318 S\n0.926286 0.727632 0.908487 S\n0.727632 0.926286 0.408487 S\n",
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],
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"formula_full": "Rb6 Ta4 As2 S22",
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"updated_at": "2021-11-28T01:38:54.905000Z",
"spacegroup": 9
},
{
"id": "mp-1111046",
"created_at": "2022-09-04T14:44:52.399035Z",
"structure_string": "Rb2 Ta1 Au1 F6\n1.0\n0.000000 5.139064 5.139064\n5.139064 0.000000 5.139064\n5.139064 5.139064 0.000000\nRb Ta Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Au\n0.812776 0.187224 0.187224 F\n0.187224 0.187224 0.812776 F\n0.187224 0.812776 0.812776 F\n0.187224 0.812776 0.187224 F\n0.812776 0.187224 0.812776 F\n0.812776 0.812776 0.187224 F\n",
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"volume": 271.4451425435606,
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"formula_full": "Rb2 Ta1 Au1 F6",
"formula_reduced": "Rb2TaAuF6",
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"updated_at": "2021-11-28T01:36:41.991000Z",
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}
]
}