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{
"id": "jvasp-47127",
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"structure_string": "Li3 Si1 Ni3 O8\n1.0\n0.000000 5.041935 -0.020995\n5.557870 0.000000 0.000000\n0.000000 -1.879139 -4.730441\nLi Si Ni O\n3 1 3 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.499999 0.756285 -0.000000 Li\n0.499999 0.243715 -0.000000 Li\n0.499999 0.000000 0.499999 Si\n-0.000000 0.753800 0.500000 Ni\n-0.000000 0.246200 0.500000 Ni\n0.499999 0.500000 0.499999 Ni\n0.728647 0.000000 0.297749 O\n0.763357 0.500000 0.280178 O\n0.716639 0.759883 0.716160 O\n0.283359 0.759883 0.283839 O\n0.716639 0.240117 0.716160 O\n0.271352 0.000000 0.702250 O\n0.236642 0.500000 0.719821 O\n0.283359 0.240117 0.283839 O\n",
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{
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"structure_string": "Li3 Cu3 Te1 O8\n1.0\n5.861060 -0.239966 0.076359\n2.679542 5.285814 0.273650\n2.901677 1.901536 5.221327\nLi Cu Te O\n3 3 1 8\ndirect\n-0.000000 0.500000 -0.000000 Li\n0.500000 -0.000000 0.000000 Li\n-0.000000 0.000000 0.500000 Li\n0.500000 -0.000000 0.500000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.500000 0.499999 0.000000 Cu\n0.000000 0.000000 0.000000 Te\n0.249232 0.282016 0.302726 O\n0.821480 0.212617 0.730949 O\n0.248218 0.772627 0.795785 O\n0.750768 0.717983 0.697275 O\n0.767140 0.766078 0.172453 O\n0.178520 0.787382 0.269052 O\n0.751782 0.227372 0.204215 O\n0.232860 0.233921 0.827548 O\n",
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{
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"created_at": "2022-09-04T14:37:56.995231Z",
"updated_at": "2022-09-04T14:37:56.995257Z",
"structure_string": "Cd5 I10\n1.0\n4.285041 -0.000000 0.000000\n-2.142520 3.710955 -0.000000\n0.000000 -0.000000 34.387187\nCd I\n5 10\ndirect\n0.666667 0.333333 0.050018 Cd\n-0.000000 0.000000 0.650030 Cd\n0.333332 0.666666 0.449982 Cd\n-0.000000 0.000000 0.849970 Cd\n-0.000000 0.000000 0.250000 Cd\n0.666667 0.333333 0.199573 I\n0.333332 0.666666 0.300427 I\n0.666667 0.333333 0.399534 I\n0.333332 0.666666 0.700453 I\n0.333332 0.666666 0.100466 I\n0.666667 0.333333 0.599573 I\n0.000000 -0.000000 -0.000400 I\n0.333332 0.666666 0.900427 I\n0.666667 0.333333 0.799547 I\n-0.000000 0.000000 0.500400 I\n",
"nsites": 15,
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"volume": 546.8110976228564,
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{
"id": "jvasp-52494",
"created_at": "2022-09-04T14:37:45.424559Z",
"updated_at": "2022-09-04T14:37:45.424572Z",
"structure_string": "Sm1 Th4 O10\n1.0\n5.610257 -2.805130 -2.805274\n0.000000 -0.000000 5.610548\n-2.805130 -5.610257 -2.805274\nSm Th O\n1 4 10\ndirect\n0.200000 0.800001 0.400000 Sm\n0.002350 0.001380 0.000412 Th\n0.397650 0.598621 0.799589 Th\n0.599589 0.400970 0.202350 Th\n0.800412 0.199032 0.597650 Th\n0.098517 0.151919 0.701814 O\n0.098517 0.648413 0.701814 O\n0.501814 0.253404 0.501483 O\n0.501814 0.749898 0.501483 O\n0.700000 0.550002 0.900000 O\n0.700000 0.050001 0.900000 O\n0.301483 0.448082 0.098186 O\n0.301483 0.951588 0.098186 O\n0.898186 0.850105 0.298517 O\n0.898186 0.346599 0.298517 O\n",
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{
"id": "jvasp-29528",
"created_at": "2022-09-04T14:37:56.918094Z",
"updated_at": "2022-09-04T14:37:56.918125Z",
"structure_string": "Pb5 I10\n1.0\n4.588677 -0.000000 -0.000000\n-2.294339 3.973912 -0.000000\n0.000000 0.000000 35.214740\nPb I\n5 10\ndirect\n-0.000000 -0.000000 0.853002 Pb\n0.333333 0.666667 0.452924 Pb\n0.333333 0.666667 0.652641 Pb\n0.333333 0.666667 0.253090 Pb\n0.333333 0.666667 0.053336 Pb\n0.666667 0.333333 0.107152 I\n0.666667 0.333333 0.706430 I\n-0.000000 -0.000000 0.199287 I\n0.333333 0.666667 0.799205 I\n0.666667 0.333333 0.506718 I\n0.000000 0.000000 -0.000441 I\n0.666667 0.333333 0.306891 I\n0.666667 0.333333 0.906809 I\n-0.000000 -0.000000 0.399124 I\n-0.000000 -0.000000 0.598832 I\n",
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{
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"created_at": "2022-09-04T14:37:59.063689Z",
"updated_at": "2022-09-04T14:37:59.063735Z",
"structure_string": "Li3 Mn1 V3 O8\n1.0\n3.997977 -0.000100 0.000179\n-1.998907 5.977154 0.004453\n-0.000463 -1.905868 6.275021\nLi Mn V O\n3 1 3 8\ndirect\n0.937199 0.874394 0.638332 Li\n0.831153 0.662313 0.995266 Li\n0.061549 0.123093 0.363652 Li\n0.281929 0.563860 0.695892 Mn\n0.705161 0.410319 0.288205 V\n0.390111 0.780227 0.298242 V\n0.606848 0.213688 0.711817 V\n0.357359 0.714723 0.015023 O\n0.879981 0.759969 0.311311 O\n0.438393 0.876792 0.633977 O\n0.772361 0.544724 0.669172 O\n0.226997 0.453989 0.332750 O\n0.559993 0.119977 0.365605 O\n0.654671 0.309339 -0.000399 O\n0.109186 0.218367 0.675479 O\n",
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],
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"formula_full": "Li3 Mn1 V3 O8",
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"formula_anonymous": "AB3C3D8",
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{
"id": "jvasp-42725",
"created_at": "2022-09-04T14:37:51.375402Z",
"updated_at": "2022-09-04T14:37:51.375427Z",
"structure_string": "Li3 Fe2 Si2 O8\n1.0\n4.952505 -0.106895 -0.016322\n-0.134408 5.253843 0.051472\n-0.112964 -0.081643 6.545040\nLi Fe Si O\n3 2 2 8\ndirect\n0.493194 0.158877 0.506456 Li\n0.504645 0.650495 0.278352 Li\n0.996260 0.846854 0.508871 Li\n0.487365 0.171431 0.991486 Fe\n0.025973 0.819201 0.000504 Fe\n-0.006303 0.325372 0.263819 Si\n0.492634 0.670349 0.736800 Si\n0.113694 0.182957 0.456509 O\n0.099526 0.185749 0.049272 O\n0.656388 0.310042 0.242718 O\n0.554608 0.367344 0.757171 O\n0.100130 0.631404 0.245325 O\n0.166996 0.719843 0.752326 O\n0.622317 0.819497 0.953801 O\n0.608959 0.801482 0.531300 O\n",
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{
"id": "jvasp-47039",
"created_at": "2022-09-04T14:38:01.678964Z",
"updated_at": "2022-09-04T14:38:01.678980Z",
"structure_string": "Li3 Mn3 Co1 O8\n1.0\n1.601850 -2.476174 -4.827265\n5.054827 1.492465 -2.402696\n-0.000000 -2.949130 4.827265\nLi Mn Co O\n3 3 1 8\ndirect\n0.000001 0.500000 0.000000 Li\n0.000001 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 -0.000000 0.500000 Mn\n0.499999 0.000000 -0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Co\n0.256980 0.217347 0.237163 O\n0.257426 0.227724 0.742574 O\n0.762836 0.217347 0.237163 O\n0.762837 0.217347 0.743020 O\n0.237164 0.782653 0.256980 O\n0.237164 0.782653 0.762837 O\n0.742575 0.772276 0.257426 O\n0.743021 0.782653 0.762837 O\n",
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{
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"created_at": "2022-09-04T14:37:54.115799Z",
"updated_at": "2022-09-04T14:37:54.115816Z",
"structure_string": "Li3 Cr3 Fe1 O8\n1.0\n5.788910 -0.007888 -0.002932\n-2.887524 5.017146 -0.000965\n-2.894408 -1.664764 4.767554\nLi Cr Fe O\n3 3 1 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.500001 0.500001 0.500000 Li\n-0.000000 0.000000 0.500000 Li\n0.500001 0.500000 0.000001 Cr\n0.500000 -0.000000 0.000000 Cr\n0.000001 0.500001 0.000000 Cr\n0.000000 0.000000 0.000000 Fe\n0.483661 0.741825 0.225507 O\n0.982675 0.233484 0.216180 O\n0.982676 0.749183 0.216179 O\n0.516340 0.258176 0.774494 O\n0.466973 0.233481 0.216176 O\n0.017327 0.766518 0.783820 O\n0.017325 0.250818 0.783822 O\n0.533029 0.766521 0.783825 O\n",
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{
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"created_at": "2022-09-04T14:38:06.515095Z",
"updated_at": "2022-09-04T14:38:06.515126Z",
"structure_string": "Y1 Th4 O10\n1.0\n5.586268 -2.793135 -2.793229\n-0.000000 -0.000000 5.586458\n-2.793135 -5.586268 -2.793229\nY Th O\n1 4 10\ndirect\n0.000000 0.000000 0.000000 Y\n0.399175 0.601169 0.803162 Th\n0.196839 0.798007 0.399176 Th\n0.803161 0.201993 0.600825 Th\n0.600825 0.398832 0.196839 Th\n0.099923 0.149654 0.701449 O\n0.099923 0.651717 0.701449 O\n0.298552 0.448205 0.099924 O\n0.701448 0.049731 0.900078 O\n0.500000 0.750000 0.500001 O\n0.701448 0.551795 0.900078 O\n0.298552 0.950269 0.099924 O\n0.500000 0.250000 0.500001 O\n0.900077 0.348283 0.298552 O\n0.900077 0.850347 0.298552 O\n",
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{
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"updated_at": "2022-09-04T14:37:51.143765Z",
"structure_string": "Ba3 Nb2 Zn1 O9\n1.0\n2.926576 -5.068977 0.000000\n2.926576 5.068977 -0.000000\n-0.000000 -0.000000 7.189856\nBa Nb Zn O\n3 2 1 9\ndirect\n0.666668 0.333334 0.335486 Ba\n0.333334 0.666668 0.664515 Ba\n0.000000 0.000000 0.000000 Ba\n0.333334 0.666668 0.177125 Nb\n0.666668 0.333334 0.822875 Nb\n0.000000 0.000000 0.500000 Zn\n0.828635 0.171367 0.674798 O\n0.828635 0.657268 0.674798 O\n0.342733 0.171367 0.674798 O\n0.657268 0.828635 0.325202 O\n0.171367 0.342733 0.325202 O\n0.171367 0.828635 0.325202 O\n0.500001 0.000000 0.000000 O\n0.000000 0.500001 0.000000 O\n0.500001 0.500001 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:02.206860Z",
"updated_at": "2022-09-04T14:38:02.206880Z",
"structure_string": "Li4 Co3 O2 F6\n1.0\n-5.021002 -0.017938 0.001793\n0.896732 5.186222 -0.036170\n-0.072901 -1.767044 -5.509315\nLi Co O F\n4 3 2 6\ndirect\n0.256893 0.974251 0.866078 Li\n0.761007 -0.003277 0.633068 Li\n0.238993 0.003277 0.366933 Li\n0.743107 0.025750 0.133923 Li\n0.501617 0.495754 0.778912 Co\n0.498383 0.504246 0.221089 Co\n0.000000 0.500000 -0.000000 Co\n0.642269 0.254955 0.937170 O\n0.357731 0.745046 0.062831 O\n0.134084 0.207013 0.687748 F\n0.872105 0.771716 0.826577 F\n0.401265 0.744937 0.564562 F\n0.598735 0.255063 0.435439 F\n0.865916 0.792987 0.312254 F\n0.127895 0.228284 0.173424 F\n",
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]
}