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{
"id": "jvasp-37875",
"created_at": "2022-09-04T14:38:06.267647Z",
"updated_at": "2022-09-04T14:38:06.267675Z",
"structure_string": "B1 Pb1 O3\n1.0\n3.562099 -0.000000 0.000000\n0.000000 3.562099 -0.000000\n0.000000 -0.000000 3.562099\nB Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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"structure_string": "Li2 Mn3 Fe1 O8\n1.0\n-0.020623 4.039537 4.039537\n4.039537 -0.020623 4.039537\n4.039537 4.039537 -0.020623\nLi Mn Fe O\n2 3 1 8\ndirect\n0.123681 0.123681 0.123681 Li\n0.876320 0.876320 0.876320 Li\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500001 0.500001 0.500001 Fe\n0.261455 0.261455 0.261455 O\n0.712160 0.261579 0.261579 O\n0.261579 0.712160 0.261579 O\n0.261579 0.261579 0.712160 O\n0.738423 0.738423 0.287842 O\n0.738423 0.287842 0.738423 O\n0.287842 0.738423 0.738423 O\n0.738546 0.738546 0.738546 O\n",
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{
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"created_at": "2022-09-04T14:38:06.274561Z",
"updated_at": "2022-09-04T14:38:06.274576Z",
"structure_string": "Rb1 Ir1 O3\n1.0\n3.995892 -0.000000 0.000000\n-0.000000 3.995892 0.000000\n-0.000000 -0.000000 3.995892\nRb Ir O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"density_atomic": 0.07836619837677951,
"volume": 63.80301843864277,
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"formula_full": "Rb1 Ir1 O3",
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{
"id": "jvasp-40457",
"created_at": "2022-09-04T14:38:06.275244Z",
"updated_at": "2022-09-04T14:38:06.275266Z",
"structure_string": "Th1 Pb1 Au2\n1.0\n-0.000042 3.643378 3.643377\n3.643249 -0.000021 3.643355\n3.643245 3.643352 -0.000016\nTh Pb Au\n1 1 2\ndirect\n0.750002 0.750001 0.750000 Th\n0.250000 0.250000 0.250000 Pb\n0.500000 0.500002 0.500002 Au\n0.000003 0.999999 0.999998 Au\n",
"nsites": 4,
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"formula_full": "Th1 Pb1 Au2",
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"spacegroup": 225
},
{
"id": "jvasp-9294",
"created_at": "2022-09-04T14:38:06.281042Z",
"updated_at": "2022-09-04T14:38:06.281069Z",
"structure_string": "Ba1 Zn1 Bi4 O8\n1.0\n3.120062 -5.404105 -0.000000\n3.120062 5.404105 -0.000000\n-0.000000 -0.000000 7.440155\nBa Zn Bi O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666667 0.716167 Bi\n0.666667 0.333333 0.716167 Bi\n0.333333 0.666667 0.283832 Bi\n0.666667 0.333333 0.283832 Bi\n0.274412 0.274412 0.694508 O\n0.725588 -0.000001 0.694508 O\n-0.000001 0.725588 0.694508 O\n0.725588 0.725588 0.305491 O\n-0.000000 0.274412 0.305491 O\n0.274412 -0.000000 0.305491 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 14,
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],
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"formula_full": "Ba1 Zn1 Bi4 O8",
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{
"id": "jvasp-37915",
"created_at": "2022-09-04T14:38:06.284589Z",
"updated_at": "2022-09-04T14:38:06.284619Z",
"structure_string": "B2 C2\n1.0\n1.300592 -2.252692 0.000000\n1.300592 2.252692 -0.000000\n-0.000000 0.000000 4.647008\nB C\n2 2\ndirect\n0.333332 0.666666 0.019395 B\n0.666666 0.333332 0.519395 B\n0.333332 0.666666 0.355606 C\n0.666666 0.333332 0.855606 C\n",
"nsites": 4,
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"formula_full": "B2 C2",
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{
"id": "jvasp-12384",
"created_at": "2022-09-04T14:38:06.285486Z",
"updated_at": "2022-09-04T14:38:06.285510Z",
"structure_string": "Rb4 Pb2 O6\n1.0\n6.117326 0.000000 0.000000\n0.000000 6.162082 -2.417757\n0.000000 -0.086343 6.618864\nRb Pb O\n4 2 6\ndirect\n0.267295 0.481573 0.807041 Rb\n0.767296 0.192959 0.518426 Rb\n0.767296 0.518427 0.192958 Rb\n0.267295 0.807042 0.481572 Rb\n0.741318 0.904442 0.904441 Pb\n0.241318 0.095558 0.095558 Pb\n0.659641 0.634280 0.634280 O\n0.159641 0.365720 0.365719 O\n0.002226 0.845319 0.107496 O\n0.502226 0.154681 0.892503 O\n0.002226 0.107497 0.845319 O\n0.502226 0.892503 0.154680 O\n",
"nsites": 12,
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"elements": [
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"formula_full": "Rb4 Pb2 O6",
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"spacegroup": 36
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{
"id": "jvasp-48226",
"created_at": "2022-09-04T14:38:06.290528Z",
"updated_at": "2022-09-04T14:38:06.290546Z",
"structure_string": "Li4 Co4 Si4 O16\n1.0\n0.000000 8.106321 0.085059\n5.283099 0.000000 0.000000\n0.000000 -2.207529 -7.977440\nLi Co Si O\n4 4 4 16\ndirect\n0.029714 0.841532 0.922148 Li\n0.496735 0.332599 0.718193 Li\n0.029714 0.158469 0.422148 Li\n0.496735 0.667401 0.218192 Li\n0.133839 0.332750 0.798310 Co\n0.626344 0.832609 0.607527 Co\n0.133839 0.667250 0.298310 Co\n0.626344 0.167391 0.107527 Co\n0.261700 0.168957 0.177431 Si\n0.752217 0.336984 0.486466 Si\n0.261700 0.831044 0.677431 Si\n0.752217 0.663016 0.986466 Si\n0.434634 0.313048 0.157382 O\n0.786023 0.214207 0.315046 O\n0.302064 0.870801 0.235557 O\n0.186222 0.320263 0.316367 O\n0.673127 0.624828 0.444580 O\n0.947879 0.316050 0.611834 O\n0.615549 0.176989 0.563022 O\n0.673127 0.375172 0.944580 O\n0.434634 0.686953 0.657382 O\n0.786023 0.785793 0.815046 O\n0.302064 0.129199 0.735557 O\n0.186222 0.679738 0.816367 O\n0.615549 0.823011 0.063022 O\n0.115152 0.174014 0.992340 O\n0.115152 0.825987 0.492340 O\n0.947879 0.683951 0.111834 O\n",
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"volume": 340.6537965876399,
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"formula_full": "Li4 Co4 Si4 O16",
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{
"id": "jvasp-37683",
"created_at": "2022-09-04T14:38:06.292853Z",
"updated_at": "2022-09-04T14:38:06.292875Z",
"structure_string": "Pr2 Cd1 Sn1\n1.0\n0.000000 3.871020 3.871020\n3.871020 0.000000 3.871020\n3.871020 3.871020 -0.000000\nPr Cd Sn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Pr\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Sn\n",
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{
"id": "jvasp-45244",
"created_at": "2022-09-04T14:38:06.297304Z",
"updated_at": "2022-09-04T14:38:06.297333Z",
"structure_string": "Li7 Mn5 O12\n1.0\n4.973055 0.141711 -0.099452\n2.298305 4.412386 0.099452\n-0.633622 1.011683 9.402109\nLi Mn O\n7 5 12\ndirect\n0.255123 0.255121 0.750000 Li\n0.170820 0.658210 0.510767 Li\n0.325065 0.846370 0.989404 Li\n0.658211 0.170818 0.989233 Li\n0.846372 0.325063 0.510597 Li\n0.744127 0.744126 0.250000 Li\n0.922828 0.922826 0.750000 Li\n0.416411 0.416410 0.250000 Mn\n0.510689 0.002753 0.508217 Mn\n0.579496 0.579494 0.750000 Mn\n0.072291 0.072290 0.250000 Mn\n0.002755 0.510688 0.991783 Mn\n0.771996 0.055051 0.370188 O\n0.940609 0.248573 0.872730 O\n0.248575 0.940608 0.627270 O\n0.154268 0.339946 0.373766 O\n0.339946 0.154268 0.126234 O\n0.299119 0.547321 0.871492 O\n0.547323 0.299118 0.628508 O\n0.427982 0.720907 0.360919 O\n0.720908 0.427981 0.139081 O\n0.648966 0.841094 0.880941 O\n0.841096 0.648964 0.619059 O\n0.055052 0.771995 0.129812 O\n",
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{
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"created_at": "2022-09-04T14:38:06.297332Z",
"updated_at": "2022-09-04T14:38:06.297347Z",
"structure_string": "Li6 P1 S5 Br1\n1.0\n5.092644 5.092644 -0.000000\n5.092644 -0.000000 -5.092644\n-0.000000 5.092644 -5.092644\nLi P S Br\n6 1 5 1\ndirect\n0.023282 0.476718 0.023282 Li\n0.476718 0.023282 0.476718 Li\n0.023282 0.476718 0.476718 Li\n0.476718 0.023282 0.023282 Li\n0.023282 0.023282 0.476718 Li\n0.476718 0.476718 0.023282 Li\n0.500000 0.500000 0.500000 P\n0.616754 0.616754 0.149735 S\n0.616754 0.149735 0.616754 S\n0.149735 0.616754 0.616754 S\n0.616754 0.616754 0.616754 S\n0.250000 0.250000 0.250000 S\n0.000000 0.000000 0.000000 Br\n",
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{
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"created_at": "2022-09-04T14:38:06.301692Z",
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"structure_string": "Fe1 Au1 O2\n1.0\n-2.799600 -0.000000 0.689486\n-1.484703 2.471599 -0.000000\n-2.912235 -0.067661 -5.796377\nFe Au O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Au\n0.385771 0.385771 0.842690 O\n0.614229 0.614230 0.157310 O\n",
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}
]
}