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{
"id": "jvasp-57618",
"created_at": "2022-09-04T14:38:33.806281Z",
"updated_at": "2022-09-04T14:38:33.806307Z",
"structure_string": "Tb6 Cu2 Si2 S14\n1.0\n4.955640 -8.583420 -0.000000\n4.955640 8.583420 -0.000000\n0.000000 -0.000000 5.690947\nTb Cu Si S\n6 2 2 14\ndirect\n0.871845 0.229289 0.752273 Tb\n0.357444 0.128155 0.752273 Tb\n0.229289 0.357444 0.252273 Tb\n0.128155 0.770711 0.252273 Tb\n0.642556 0.871845 0.252273 Tb\n0.770712 0.642556 0.752273 Tb\n0.000000 0.000000 0.790182 Cu\n0.000000 0.000000 0.290182 Cu\n0.333333 0.666667 0.665533 Si\n0.666667 0.333333 0.165533 Si\n0.333333 0.666667 0.036579 S\n0.093791 0.835054 0.774980 S\n0.835054 0.741263 0.274979 S\n0.164946 0.258737 0.774980 S\n0.583341 0.105968 0.015888 S\n0.105968 0.522627 0.515888 S\n0.894032 0.477373 0.015888 S\n0.477373 0.583341 0.515888 S\n0.522627 0.416659 0.015888 S\n0.906209 0.164946 0.274979 S\n0.416659 0.894032 0.515888 S\n0.666667 0.333333 0.536579 S\n0.741263 0.906209 0.774980 S\n0.258737 0.093791 0.274979 S\n",
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{
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{
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"created_at": "2022-09-04T14:38:33.799809Z",
"updated_at": "2022-09-04T14:38:33.799826Z",
"structure_string": "Li4 Ag4 F8\n1.0\n5.576410 0.000000 0.000000\n0.000000 5.280632 0.000000\n0.000000 0.000000 7.174152\nLi Ag F\n4 4 8\ndirect\n-0.001557 0.084281 0.628519 Li\n0.498443 0.415719 0.128519 Li\n-0.001557 0.584281 0.871480 Li\n0.498443 0.915719 0.371480 Li\n0.008092 0.062548 0.157946 Ag\n0.508092 0.437452 0.657946 Ag\n0.008092 0.562548 0.342054 Ag\n0.508092 0.937452 0.842054 Ag\n0.313552 0.029547 0.567280 F\n0.432402 0.071383 0.146877 F\n0.932402 0.428616 0.646877 F\n0.813552 0.470453 0.067280 F\n0.313552 0.529547 0.932719 F\n0.432402 0.571383 0.353122 F\n0.932402 0.928616 0.853122 F\n0.813552 0.970453 0.432720 F\n",
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"volume": 211.25703219899674,
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{
"id": "jvasp-51071",
"created_at": "2022-09-04T14:38:33.795522Z",
"updated_at": "2022-09-04T14:38:33.795548Z",
"structure_string": "Ba4 Co2 Se4 Cl4 O12\n1.0\n5.397051 0.000000 0.000000\n0.000000 6.814531 -0.000000\n0.000000 -0.000000 12.639098\nBa Co Se Cl O\n4 2 4 4 12\ndirect\n0.500000 0.697584 0.731733 Ba\n0.500000 0.302416 0.268267 Ba\n0.000000 0.197584 0.768267 Ba\n0.000000 0.802416 0.231733 Ba\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.757548 0.429994 Se\n0.500000 0.242452 0.570006 Se\n0.000000 0.257548 0.070006 Se\n0.000000 0.742452 0.929994 Se\n0.000000 0.177282 0.398089 Cl\n0.000000 0.822717 0.601911 Cl\n0.500000 0.322717 0.898089 Cl\n0.500000 0.677282 0.101911 Cl\n0.257681 0.399613 0.607316 O\n0.757681 0.100387 0.107316 O\n0.000000 0.585272 0.825482 O\n0.257681 0.600387 0.392684 O\n0.000000 0.414728 0.174518 O\n0.742319 0.600387 0.392684 O\n0.742319 0.399613 0.607316 O\n0.242319 0.899613 0.892685 O\n0.242319 0.100387 0.107316 O\n0.500000 0.914728 0.325482 O\n0.500000 0.085272 0.674518 O\n0.757681 0.899613 0.892685 O\n",
"nsites": 26,
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{
"id": "jvasp-30684",
"created_at": "2022-09-04T14:38:33.794147Z",
"updated_at": "2022-09-04T14:38:33.794162Z",
"structure_string": "Zn4 Sn4 O8\n1.0\n3.298016 0.308925 0.722328\n2.522980 10.089156 0.078719\n0.026189 -0.647149 8.113242\nZn Sn O\n4 4 8\ndirect\n0.110212 0.057426 0.154738 Zn\n0.885784 0.922484 0.873514 Zn\n0.906225 0.760323 0.156806 Zn\n0.089840 0.219564 0.871381 Zn\n0.793322 0.193950 0.515709 Sn\n0.229294 0.402558 0.226476 Sn\n0.766759 0.577358 0.801687 Sn\n0.202707 0.786006 0.512477 Sn\n0.799882 0.660127 0.569914 O\n0.585329 0.272940 0.773649 O\n0.410720 0.706959 0.254549 O\n0.196132 0.319842 0.458290 O\n0.294443 0.015749 0.869674 O\n0.915686 0.262515 0.133771 O\n0.701587 0.964146 0.158556 O\n0.080362 0.717394 0.894426 O\n",
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"formula_full": "Zn4 Sn4 O8",
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{
"id": "jvasp-118469",
"created_at": "2022-09-04T14:38:33.790400Z",
"updated_at": "2022-09-04T14:38:33.790430Z",
"structure_string": "Rb2 H2 O2\n1.0\n4.130908 0.000000 -0.002421\n0.000000 4.176241 0.000000\n-2.060824 0.000000 5.422229\nRb H O\n2 2 2\ndirect\n0.139510 0.761540 0.278805 Rb\n0.860491 0.261539 0.721195 Rb\n0.467020 0.898045 0.934128 H\n0.532982 0.398045 0.065871 H\n0.399763 0.738453 0.800099 O\n0.600239 0.238453 0.199901 O\n",
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{
"id": "jvasp-56730",
"created_at": "2022-09-04T14:38:33.789532Z",
"updated_at": "2022-09-04T14:38:33.789559Z",
"structure_string": "K2 Nb2 Ag4 Se8\n1.0\n5.792198 0.000000 -1.733488\n0.000000 7.963442 0.000000\n-0.092977 -0.000000 10.232970\nK Nb Ag Se\n2 2 4 8\ndirect\n0.830568 0.250000 0.361329 K\n0.469239 0.750000 0.638671 K\n0.996323 0.750000 0.232276 Nb\n0.764046 0.250000 0.767724 Nb\n0.931861 0.500000 -0.000000 Ag\n0.931861 0.000000 -0.000000 Ag\n0.500958 0.750000 0.240653 Ag\n0.260304 0.250000 0.759347 Ag\n0.628386 0.250000 0.976587 Se\n0.230227 0.008028 0.243905 Se\n0.230227 0.491972 0.243905 Se\n0.886828 0.750000 0.442436 Se\n0.444393 0.250000 0.557563 Se\n0.986321 -0.008028 0.756095 Se\n0.651799 0.750000 0.023412 Se\n0.986321 0.508028 0.756095 Se\n",
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{
"id": "jvasp-59705",
"created_at": "2022-09-04T14:38:33.784550Z",
"updated_at": "2022-09-04T14:38:33.784570Z",
"structure_string": "Tb4 Mn4 Ge4\n1.0\n4.133028 0.000000 0.000000\n-0.000000 7.095945 0.000000\n0.000000 0.000000 7.830024\nTb Mn Ge\n4 4 4\ndirect\n0.250000 0.518160 0.184213 Tb\n0.750000 0.481841 0.815787 Tb\n0.250000 0.018160 0.315787 Tb\n0.750000 0.981841 0.684213 Tb\n0.750000 0.366377 0.443704 Mn\n0.250000 0.133624 0.943704 Mn\n0.750000 0.866377 0.056296 Mn\n0.250000 0.633624 0.556295 Mn\n0.250000 0.277244 0.615151 Ge\n0.750000 0.222756 0.115151 Ge\n0.250000 0.777244 0.884848 Ge\n0.750000 0.722757 0.384849 Ge\n",
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{
"id": "jvasp-118465",
"created_at": "2022-09-04T14:38:33.774286Z",
"updated_at": "2022-09-04T14:38:33.774319Z",
"structure_string": "Rb1 H1 O1\n1.0\n4.508040 -0.000000 -0.000000\n-2.254020 3.904077 0.000000\n0.000000 0.000000 3.619592\nRb H O\n1 1 1\ndirect\n0.666666 0.333334 0.000000 Rb\n0.000000 0.000000 0.000000 H\n0.333333 0.666668 0.000000 O\n",
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{
"id": "jvasp-54978",
"created_at": "2022-09-04T14:38:33.774269Z",
"updated_at": "2022-09-04T14:38:33.774293Z",
"structure_string": "Hf2 Hg6 Se4 Cl12\n1.0\n0.000000 6.556374 0.070696\n7.538148 0.000000 0.000000\n0.000000 -0.548010 -13.291201\nHf Hg Se Cl\n2 6 4 12\ndirect\n0.500000 0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Hf\n0.997767 0.304820 0.264741 Hg\n-0.000000 0.000000 0.500000 Hg\n0.002233 0.804820 0.235259 Hg\n0.002233 0.695181 0.735258 Hg\n0.997767 0.195180 0.764741 Hg\n0.000000 0.500000 0.000000 Hg\n0.194236 0.537920 0.170507 Se\n0.805763 0.462081 0.829493 Se\n0.194236 0.962081 0.670507 Se\n0.805763 0.037920 0.329493 Se\n0.176504 0.859982 0.942342 Cl\n0.823495 0.140018 0.057657 Cl\n0.176504 0.640018 0.442342 Cl\n0.372292 0.285474 0.932540 Cl\n0.372292 0.214526 0.432540 Cl\n0.641696 0.561398 0.335871 Cl\n0.641696 0.938602 0.835871 Cl\n0.358303 0.438602 0.664128 Cl\n0.627707 0.714526 0.067460 Cl\n0.823495 0.359982 0.557657 Cl\n0.358303 0.061398 0.164128 Cl\n0.627707 0.785475 0.567459 Cl\n",
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{
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{
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"created_at": "2022-09-04T14:38:33.770286Z",
"updated_at": "2022-09-04T14:38:33.770314Z",
"structure_string": "Na6 Mn2 As2 C2 O14\n1.0\n0.000000 5.174364 -0.030519\n6.893665 0.000000 0.000000\n0.000000 0.009540 -9.214777\nNa Mn As C O\n6 2 2 2 14\ndirect\n0.239741 0.749999 0.081229 Na\n0.755060 0.001701 0.250237 Na\n0.755060 0.498299 0.250237 Na\n0.244939 0.501701 0.749763 Na\n0.244939 -0.001701 0.749763 Na\n0.760258 0.250000 0.918771 Na\n0.222968 0.250000 0.354005 Mn\n0.777031 0.749999 0.645995 Mn\n0.694395 0.250000 0.588012 As\n0.305604 0.749999 0.411989 As\n0.264531 0.250000 0.056380 C\n0.735468 0.749999 0.943621 C\n0.529171 0.749999 0.863947 O\n0.777686 0.053035 0.693253 O\n0.777686 0.446965 0.693253 O\n0.361382 0.250000 0.567635 O\n0.173939 0.749999 0.583446 O\n0.826061 0.250000 0.416554 O\n0.716399 0.749999 0.084053 O\n0.222313 0.553034 0.306747 O\n0.222313 0.946965 0.306747 O\n0.470828 0.250000 0.136054 O\n0.038405 0.250000 0.118752 O\n0.961594 0.749999 0.881248 O\n0.638617 0.749999 0.432366 O\n0.283600 0.250000 0.915947 O\n",
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]
}