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{
"id": "jvasp-48660",
"created_at": "2022-09-04T14:36:11.075869Z",
"updated_at": "2022-09-04T14:36:11.075904Z",
"structure_string": "Li1 Y3 W1 O8\n1.0\n6.225830 0.575493 0.000056\n3.172039 5.387908 0.000079\n-0.000140 -0.000060 6.125958\nLi Y W O\n1 3 1 8\ndirect\n0.499998 0.500003 0.000002 Li\n0.000034 0.499963 0.743404 Y\n0.500035 0.999967 0.256592 Y\n0.500022 0.499978 0.500005 Y\n-0.000009 0.000011 0.000004 W\n0.176319 0.176407 0.000075 O\n0.304577 0.304253 0.500120 O\n0.216974 0.724333 0.786568 O\n0.275663 0.783026 0.213440 O\n0.724269 0.216957 0.213419 O\n0.783044 0.275734 0.786590 O\n0.695747 0.695423 0.499879 O\n0.823593 0.823680 0.999925 O\n",
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{
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"structure_string": "Rb2 Li1 Mo1 I6\n1.0\n7.020683 0.000000 4.053394\n2.340227 6.619164 4.053394\n-0.000000 -0.000000 8.106787\nRb Li Mo I\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 Li\n0.000000 0.000000 0.000000 Mo\n0.755237 0.244763 0.244763 I\n0.244763 0.244763 0.755237 I\n0.244763 0.755236 0.755237 I\n0.244763 0.755236 0.244763 I\n0.755237 0.244763 0.755237 I\n0.755237 0.755236 0.244763 I\n",
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"formula_full": "Rb2 Li1 Mo1 I6",
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{
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"created_at": "2022-09-04T14:36:34.919133Z",
"updated_at": "2022-09-04T14:36:34.919168Z",
"structure_string": "Li2 Nb2 O4 F2\n1.0\n4.706328 -0.005399 2.435144\n1.831871 4.335182 2.435144\n0.011046 0.007315 5.609363\nLi Nb O F\n2 2 4 2\ndirect\n0.727462 0.331676 0.676402 Li\n0.331676 0.727461 0.176403 Li\n0.493266 0.997956 0.520095 Nb\n0.997957 0.493265 0.020096 Nb\n0.621644 0.700534 0.315164 O\n0.241989 0.358308 0.276329 O\n0.358309 0.241989 0.776329 O\n0.700535 0.621644 0.815163 O\n0.921644 0.061522 0.278004 F\n0.061522 0.921644 0.778004 F\n",
"nsites": 10,
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"density_atomic": 0.08746291974933754,
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"formula_full": "Li2 Nb2 O4 F2",
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"formula_anonymous": "ABCD2",
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"spacegroup": 9
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{
"id": "jvasp-88807",
"created_at": "2022-09-04T14:36:20.722688Z",
"updated_at": "2022-09-04T14:36:20.722711Z",
"structure_string": "Sr2 Ta2 N2 O4\n1.0\n4.974272 -0.164376 -2.997126\n-3.349974 4.742994 0.187714\n-0.115975 0.164262 5.806319\nSr Ta N O\n2 2 2 4\ndirect\n0.499990 0.255515 0.755492 Sr\n0.500022 0.755513 0.255519 Sr\n-0.000007 0.017005 0.017010 Ta\n-0.000002 0.517007 0.517015 Ta\n-0.000015 0.240416 0.240399 N\n0.000014 0.740415 0.740427 N\n0.102463 0.294751 0.794755 O\n0.499994 0.794750 0.692298 O\n0.897532 0.692304 0.192304 O\n0.500000 0.192317 0.294770 O\n",
"nsites": 10,
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"volume": 133.64168228893328,
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"formula_full": "Sr2 Ta2 N2 O4",
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{
"id": "jvasp-43192",
"created_at": "2022-09-04T14:36:20.773441Z",
"updated_at": "2022-09-04T14:36:20.773470Z",
"structure_string": "Li4 Co6 W2 O16\n1.0\n5.740260 0.000004 0.000475\n-2.870126 4.971203 -0.000948\n-0.000820 0.001419 9.310285\nLi Co W O\n4 6 2 16\ndirect\n0.333337 0.666679 0.901020 Li\n-0.000060 -0.000013 0.995898 Li\n0.000061 0.000048 0.495898 Li\n0.666662 0.333340 0.401020 Li\n0.831606 0.663166 0.714462 Co\n0.336895 0.168456 0.714464 Co\n0.831610 0.168461 0.714464 Co\n0.168389 0.336851 0.214465 Co\n0.168392 0.831559 0.214463 Co\n0.663104 0.831560 0.214464 Co\n0.333355 0.666689 0.491848 W\n0.666644 0.333332 0.991848 W\n0.335407 0.167714 0.095109 O\n0.832235 0.664542 0.095121 O\n0.666700 0.333358 0.612466 O\n0.518882 0.037717 0.838812 O\n0.518878 0.481179 0.838813 O\n0.664591 0.832305 0.595108 O\n0.481118 0.518835 0.338812 O\n0.037687 0.518854 0.338825 O\n0.167759 0.335482 0.595124 O\n0.000044 0.000033 0.807487 O\n0.999955 0.999986 0.307487 O\n0.333298 0.666657 0.112466 O\n0.962312 0.481168 0.838824 O\n0.167763 0.832309 0.595121 O\n0.481120 0.962300 0.338813 O\n0.832240 0.167720 0.095124 O\n",
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],
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"formula_full": "Li4 Co6 W2 O16",
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{
"id": "jvasp-97001",
"created_at": "2022-09-04T14:36:08.847195Z",
"updated_at": "2022-09-04T14:36:08.847221Z",
"structure_string": "Ca4 Al4 B4 O16\n1.0\n5.799868 0.000000 0.000000\n0.000000 7.286398 -3.956868\n0.000000 -0.001622 8.684237\nCa Al B O\n4 4 4 16\ndirect\n0.011328 0.949924 0.185383 Ca\n0.511329 0.764542 0.814618 Ca\n0.011328 0.050076 0.814618 Ca\n0.511329 0.235459 0.185383 Ca\n0.739408 0.278817 0.587875 Al\n0.739408 0.721184 0.412125 Al\n0.239408 0.690942 0.412125 Al\n0.239408 0.309059 0.587875 Al\n0.474912 0.846754 0.218951 B\n0.974912 0.372197 0.218951 B\n0.974912 0.627803 0.781050 B\n0.474912 0.153247 0.781050 B\n0.779505 0.517483 0.736189 O\n0.942914 0.812250 0.884551 O\n0.493166 0.265102 0.465608 O\n0.442913 0.072302 0.884551 O\n0.993166 0.200507 0.465608 O\n0.279505 0.218706 0.736189 O\n0.442913 0.927699 0.115449 O\n0.993166 0.799494 0.534392 O\n0.692469 0.829326 0.277375 O\n0.692469 0.170674 0.722626 O\n0.192468 0.551952 0.722626 O\n0.192468 0.448049 0.277375 O\n0.279505 0.781294 0.263811 O\n0.779505 0.482517 0.263811 O\n0.493166 0.734899 0.534392 O\n0.942914 0.187751 0.115449 O\n",
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],
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"formula_full": "Ca4 Al4 B4 O16",
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},
{
"id": "jvasp-102333",
"created_at": "2022-09-04T14:36:35.636308Z",
"updated_at": "2022-09-04T14:36:35.636323Z",
"structure_string": "K2 Fe2 Se2 S2\n1.0\n6.473015 0.006946 1.392833\n-3.327996 5.551974 1.392833\n0.000622 0.001099 5.466757\nK Fe Se S\n2 2 2 2\ndirect\n0.359434 0.640566 0.500000 K\n0.638035 0.361965 -0.000001 K\n0.003063 0.996936 0.500000 Fe\n0.007173 0.992825 -0.000000 Fe\n0.088701 0.318405 0.145040 Se\n0.681595 0.911298 0.854960 Se\n0.922864 0.700867 0.348732 S\n0.299133 0.077136 0.651268 S\n",
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{
"id": "jvasp-100788",
"created_at": "2022-09-04T14:36:36.508628Z",
"updated_at": "2022-09-04T14:36:36.508649Z",
"structure_string": "V2 Cr2 Ge2 C2\n1.0\n2.985734 -0.000000 0.000000\n-1.492868 2.585722 0.000000\n0.000000 0.000000 12.053975\nV Cr Ge C\n2 2 2 2\ndirect\n0.666665 0.333333 0.910020 V\n0.333332 0.666666 0.089979 V\n0.333332 0.666666 0.416544 Cr\n0.666665 0.333333 0.583455 Cr\n0.333332 0.666666 0.742656 Ge\n0.666665 0.333333 0.257344 Ge\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
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{
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"created_at": "2022-09-04T14:36:08.881895Z",
"updated_at": "2022-09-04T14:36:08.881916Z",
"structure_string": "Li4 Mn2 O4 F2\n1.0\n2.546264 4.394344 0.044857\n-2.546264 4.394344 -0.044857\n-1.870071 0.000000 4.735786\nLi Mn O F\n4 2 4 2\ndirect\n0.253217 0.241323 0.754331 Li\n0.567625 0.605352 0.767083 Li\n0.394647 0.432375 0.267082 Li\n0.758675 0.746782 0.254331 Li\n0.924597 0.875549 0.750169 Mn\n0.124450 0.075402 0.250168 Mn\n0.154408 0.711348 0.496649 O\n0.288652 0.845590 0.996650 O\n0.007097 0.473800 0.007696 O\n0.526200 0.992902 0.507697 O\n0.659202 0.158773 0.974074 F\n0.841226 0.340797 0.474073 F\n",
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{
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"created_at": "2022-09-04T14:36:36.070505Z",
"updated_at": "2022-09-04T14:36:36.070528Z",
"structure_string": "Rb2 Ag1 Au1 F6\n1.0\n5.416100 -0.000000 3.126987\n1.805367 5.106348 3.126987\n-0.000000 -0.000000 6.253973\nRb Ag Au 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 Ag\n0.000000 0.000000 0.000000 Au\n0.751080 0.248921 0.248921 F\n0.248921 0.248921 0.751079 F\n0.248921 0.751080 0.751079 F\n0.248921 0.751080 0.248921 F\n0.751080 0.248921 0.751079 F\n0.751080 0.751080 0.248921 F\n",
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{
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"created_at": "2022-09-04T14:36:14.665174Z",
"updated_at": "2022-09-04T14:36:14.665198Z",
"structure_string": "Ba4 Zn2 Si4 O14\n1.0\n6.703542 0.004534 -1.544422\n-2.014428 6.393713 -1.544422\n0.004138 0.005645 8.523321\nBa Zn Si O\n4 2 4 14\ndirect\n0.816663 0.731349 0.026330 Ba\n0.731349 0.816663 0.526330 Ba\n0.268650 0.183336 0.473670 Ba\n0.183336 0.268651 0.973670 Ba\n0.741000 0.258999 0.250000 Zn\n0.258999 0.741000 0.750000 Zn\n0.167862 0.604023 0.362611 Si\n0.395976 0.832137 0.137390 Si\n0.832137 0.395976 0.637390 Si\n0.604024 0.167863 0.862611 Si\n0.759210 0.023236 0.867049 O\n0.618452 0.325315 0.044487 O\n0.976764 0.240790 0.632951 O\n0.674685 0.381547 0.455514 O\n0.041849 0.355314 0.263912 O\n0.665273 0.334727 0.750000 O\n0.355315 0.041850 0.763912 O\n0.334727 0.665272 0.250000 O\n0.240790 0.976764 0.132951 O\n0.023236 0.759209 0.367049 O\n0.958150 0.644685 0.736088 O\n0.381548 0.674685 0.955514 O\n0.644685 0.958150 0.236088 O\n0.325315 0.618452 0.544487 O\n",
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],
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{
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"created_at": "2022-09-04T14:36:35.661021Z",
"updated_at": "2022-09-04T14:36:35.661048Z",
"structure_string": "K4 P4 Pb4 S16\n1.0\n6.613306 0.000000 0.000000\n0.000000 6.643420 0.000000\n0.000000 0.000000 16.562063\nK P Pb S\n4 4 4 16\ndirect\n0.976434 0.250000 0.788767 K\n0.523567 0.250000 0.288767 K\n0.023567 0.750000 0.211233 K\n0.476434 0.750000 0.711232 K\n0.721967 0.750000 0.402617 P\n0.778034 0.750000 0.902617 P\n0.221967 0.250000 0.097383 P\n0.278033 0.250000 0.597383 P\n0.718410 0.250000 0.023527 Pb\n0.281591 0.750000 0.976473 Pb\n0.781591 0.250000 0.523527 Pb\n0.218410 0.750000 0.476473 Pb\n0.398798 0.002528 0.121800 S\n0.527660 0.250000 0.670697 S\n0.972341 0.250000 0.170697 S\n0.852145 0.750000 0.024336 S\n0.601203 0.502528 0.878200 S\n0.647856 0.750000 0.524336 S\n0.898798 0.502528 0.378200 S\n0.472340 0.750000 0.329303 S\n0.601203 0.997472 0.878200 S\n0.398798 0.497472 0.121800 S\n0.101202 0.497472 0.621800 S\n0.352145 0.250000 0.475664 S\n0.898798 0.997472 0.378200 S\n0.147855 0.250000 0.975664 S\n0.101202 0.002528 0.621800 S\n0.027660 0.750000 0.829302 S\n",
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}
]
}