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{
"id": "jvasp-103868",
"created_at": "2022-09-04T14:37:10.534359Z",
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"structure_string": "Sn1 H8 C5 O4\n1.0\n4.777305 -0.084916 0.080976\n0.097338 5.804990 2.505210\n-0.104206 0.259077 6.579884\nSn H C O\n1 8 5 4\ndirect\n0.321268 0.069689 0.088866 Sn\n0.984361 0.801251 0.986330 H\n0.168832 0.992097 0.735641 H\n0.522122 0.140359 0.440284 H\n0.340362 0.736231 0.944529 H\n0.253986 0.350547 0.296515 H\n0.464283 0.631683 0.645743 H\n0.738893 0.754931 0.748393 H\n0.600800 0.392430 0.184217 H\n0.441578 0.261733 0.274953 C\n0.186918 0.874572 0.914887 C\n0.812685 0.773661 0.423135 C\n0.817358 0.405052 0.794291 C\n0.690322 0.647774 0.659111 C\n0.667604 0.226073 0.831320 O\n0.059201 0.855103 0.404899 O\n0.658759 0.793982 0.257582 O\n0.066930 0.395030 0.866213 O\n",
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{
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"structure_string": "Ce2 Co8 B8\n1.0\n5.045686 0.000000 0.000000\n-0.000000 5.045686 -0.000000\n0.000000 0.000000 7.050639\nCe Co B\n2 8 8\ndirect\n0.000000 0.000000 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n0.000000 0.752232 0.863388 Co\n0.500000 0.252232 0.636612 Co\n0.747769 0.500000 0.363388 Co\n0.500000 0.747769 0.636612 Co\n0.000000 0.247768 0.863388 Co\n0.752232 0.000000 0.136612 Co\n0.247768 0.000000 0.136612 Co\n0.252232 0.500000 0.363388 Co\n0.327646 0.000000 0.840970 B\n0.000000 0.327646 0.159031 B\n0.172354 0.500000 0.659031 B\n0.827647 0.500000 0.659031 B\n0.500000 0.172354 0.340969 B\n0.500000 0.827647 0.340969 B\n0.000000 0.672355 0.159031 B\n0.672355 0.000000 0.840970 B\n",
"nsites": 18,
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{
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"updated_at": "2022-09-04T14:36:31.739833Z",
"structure_string": "Li4 Hf2 O6\n1.0\n2.680434 4.492976 0.014371\n-2.680434 4.492976 -0.014371\n-2.046486 0.000000 4.957371\nLi Hf O\n4 2 6\ndirect\n0.566257 0.583816 0.491682 Li\n0.250816 0.267750 0.491198 Li\n0.416184 0.433744 0.991682 Li\n0.732251 0.749185 0.991198 Li\n0.900136 0.917170 0.491198 Hf\n0.082831 0.099865 0.991198 Hf\n0.297770 0.853776 0.753977 O\n0.146225 0.702230 0.253977 O\n0.991424 0.508559 0.741270 O\n0.685356 0.163095 0.728476 O\n0.491442 0.008576 0.241270 O\n0.836906 0.314644 0.228476 O\n",
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"formula_anonymous": "AB2C3",
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"spacegroup": 15
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{
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"created_at": "2022-09-04T14:38:29.567802Z",
"updated_at": "2022-09-04T14:38:29.567826Z",
"structure_string": "Rb2 Mg2 As2 H24 O20\n1.0\n6.210296 0.000000 0.000000\n0.000000 6.973018 0.000000\n0.000000 0.000000 11.515192\nRb Mg As H O\n2 2 2 24 20\ndirect\n0.650597 0.000000 0.730894 Rb\n0.349404 0.500000 0.230894 Rb\n0.613249 0.000000 0.386497 Mg\n0.386752 0.500000 0.886497 Mg\n0.984158 0.500000 0.519901 As\n0.015842 0.000000 0.019901 As\n0.809715 0.677883 0.316977 H\n0.006622 0.384566 0.004727 H\n0.993379 0.884566 0.504727 H\n0.358706 0.760588 0.519382 H\n0.598628 0.321594 0.533160 H\n0.162536 0.000000 0.353636 H\n0.598628 0.678406 0.533160 H\n0.006622 0.615435 0.004727 H\n0.783852 0.203705 0.198778 H\n0.783852 0.796295 0.198778 H\n0.216149 0.296295 0.698778 H\n0.276743 0.000000 0.225914 H\n0.216149 0.703705 0.698778 H\n0.190286 0.177883 0.816977 H\n0.641294 0.260587 0.019382 H\n0.723258 0.500000 0.725914 H\n0.401373 0.821594 0.033160 H\n0.190286 0.822117 0.816977 H\n0.809715 0.322117 0.316977 H\n0.358706 0.239413 0.519382 H\n0.837464 0.500000 0.853636 H\n0.641294 0.739413 0.019382 H\n0.401373 0.178406 0.033160 H\n0.993379 0.115434 0.504727 H\n0.282879 0.722251 0.777623 O\n0.717121 0.222250 0.277623 O\n0.114947 0.704221 0.565710 O\n0.070048 0.500000 0.963577 O\n0.486176 0.707494 0.004047 O\n0.697454 0.500000 0.812600 O\n0.929953 0.000000 0.463577 O\n0.513825 0.207494 0.504047 O\n0.041339 0.000000 0.871745 O\n0.267377 0.000000 0.084506 O\n0.885054 0.204221 0.065710 O\n0.885054 0.795780 0.065710 O\n0.282879 0.277750 0.777623 O\n0.513825 0.792507 0.504047 O\n0.486176 0.292506 0.004047 O\n0.732623 0.500000 0.584506 O\n0.958662 0.500000 0.371745 O\n0.302546 0.000000 0.312601 O\n0.114947 0.295780 0.565710 O\n0.717121 0.777750 0.277623 O\n",
"nsites": 50,
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{
"id": "jvasp-47298",
"created_at": "2022-09-04T14:38:09.722807Z",
"updated_at": "2022-09-04T14:38:09.722824Z",
"structure_string": "Li4 Mn5 O9 F1\n1.0\n5.105830 -0.022510 -0.007446\n-1.166818 5.209832 0.021507\n-1.787516 -2.535110 7.123743\nLi Mn O F\n4 5 9 1\ndirect\n0.893720 0.811147 0.306912 Li\n0.495091 0.962192 0.477413 Li\n0.112138 0.183449 0.689435 Li\n0.717544 0.414103 0.919124 Li\n0.202145 0.402580 0.391715 Mn\n0.008779 0.984451 0.006495 Mn\n0.601331 0.183320 0.200778 Mn\n0.792552 0.592628 0.597368 Mn\n0.389041 0.790481 0.805658 Mn\n0.436033 0.459192 0.651499 O\n0.862886 0.213016 0.436881 O\n0.278535 0.030190 0.267151 O\n0.664225 0.798599 0.026917 O\n0.943215 0.338061 0.145079 O\n0.137668 0.800304 0.571265 O\n0.555958 0.598505 0.371142 O\n0.001608 0.633933 0.842961 O\n0.356271 0.138939 0.952565 O\n0.750129 0.056445 0.737407 F\n",
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],
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{
"id": "jvasp-115927",
"created_at": "2022-09-04T14:38:41.158643Z",
"updated_at": "2022-09-04T14:38:41.158679Z",
"structure_string": "Li1 Co1 F4\n1.0\n3.117302 -3.329978 0.000000\n3.117302 3.329978 0.000000\n0.000000 0.000000 2.882428\nLi Co F\n1 1 4\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Co\n0.794242 0.794242 0.000000 F\n0.682098 0.317903 0.500000 F\n0.205759 0.205759 0.000000 F\n0.317903 0.682098 0.500000 F\n",
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},
{
"id": "jvasp-112926",
"created_at": "2022-09-04T14:38:41.874787Z",
"updated_at": "2022-09-04T14:38:41.874813Z",
"structure_string": "Li3 Ni3 Te1 O8\n1.0\n5.149360 -0.021944 2.968558\n1.704833 4.859005 2.968558\n-0.031095 -0.021944 5.943675\nLi Ni Te O\n3 3 1 8\ndirect\n0.000000 0.000000 0.500000 Li\n-0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.499999 0.500001 0.000000 Ni\n0.500000 0.000001 0.500000 Ni\n-0.000000 0.500001 0.500000 Ni\n0.000000 0.000000 0.000000 Te\n0.734572 0.734574 0.734572 O\n0.232474 0.232475 0.764987 O\n0.232473 0.764988 0.232474 O\n0.265428 0.265429 0.265428 O\n0.764987 0.232475 0.232474 O\n0.767526 0.767528 0.235013 O\n0.767526 0.235014 0.767526 O\n0.235013 0.767528 0.767527 O\n",
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],
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{
"id": "jvasp-42335",
"created_at": "2022-09-04T14:36:13.031293Z",
"updated_at": "2022-09-04T14:36:13.031319Z",
"structure_string": "Li4 Mn2 Fe2 B4 O12\n1.0\n5.162624 0.015872 0.105455\n2.549811 4.512348 -0.040086\n2.349455 1.413302 10.313140\nLi Mn Fe B O\n4 2 2 4 12\ndirect\n0.346944 0.579669 0.848982 Li\n0.078791 0.984784 0.664620 Li\n0.921208 0.015215 0.335380 Li\n0.653054 0.420330 0.151018 Li\n0.759885 0.655070 0.617961 Mn\n0.240114 0.344929 0.382039 Mn\n0.661786 0.914072 0.896542 Fe\n0.338212 0.085927 0.103458 Fe\n0.574018 0.686539 0.365868 B\n0.998757 0.750576 0.122608 B\n0.001242 0.249423 0.877392 B\n0.425980 0.313460 0.634132 B\n0.750776 0.744295 0.094538 O\n0.740508 0.516011 0.861648 O\n0.249222 0.255705 0.905462 O\n0.024945 0.983054 0.858627 O\n0.685596 0.051869 0.657633 O\n0.391127 0.584991 0.652492 O\n0.193753 0.299346 0.594326 O\n0.806245 0.700654 0.405674 O\n0.608872 0.415008 0.347508 O\n0.314402 0.948130 0.342367 O\n0.975053 0.016945 0.141373 O\n0.259491 0.483989 0.138352 O\n",
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{
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"created_at": "2022-09-04T14:37:11.921185Z",
"updated_at": "2022-09-04T14:37:11.921218Z",
"structure_string": "Li8 Ti2 O8\n1.0\n5.408934 -0.022406 -0.000000\n-0.359590 5.397015 0.000000\n0.000000 0.000000 6.152035\nLi Ti O\n8 2 8\ndirect\n0.159029 0.840970 0.000000 Li\n0.840970 0.159029 0.500000 Li\n0.840970 0.159029 0.000000 Li\n0.159029 0.840970 0.500000 Li\n0.586255 0.877726 0.250000 Li\n0.413745 0.122273 0.750001 Li\n0.877726 0.586254 0.250000 Li\n0.122273 0.413745 0.750001 Li\n0.658373 0.658372 0.750001 Ti\n0.341627 0.341626 0.250000 Ti\n0.728769 0.330191 0.750001 O\n0.203048 0.203048 0.000489 O\n0.796951 0.796950 0.500490 O\n0.203048 0.203048 0.499511 O\n0.796951 0.796950 -0.000489 O\n0.669807 0.271229 0.250000 O\n0.330192 0.728769 0.750001 O\n0.271230 0.669807 0.250000 O\n",
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},
{
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"updated_at": "2022-09-04T14:38:47.959945Z",
"structure_string": "Zr2 Co8 N8\n1.0\n4.970644 0.007545 1.366305\n1.222864 4.454719 1.401153\n-0.003252 0.024304 8.116702\nZr Co N\n2 8 8\ndirect\n0.656174 0.882648 0.798814 Zr\n0.343825 0.117350 0.201187 Zr\n0.766749 0.037210 0.401252 Co\n0.264701 0.537973 0.408517 Co\n0.735298 0.462025 0.591483 Co\n0.233250 0.962788 0.598749 Co\n0.869706 0.218398 0.060754 Co\n0.174599 0.396298 0.762256 Co\n0.825401 0.603700 0.237745 Co\n0.130293 0.781600 0.939247 Co\n0.535599 0.780409 0.415009 N\n0.974455 0.714717 0.581743 N\n0.025544 0.285281 0.418258 N\n0.759664 0.899984 0.037946 N\n0.240335 0.100014 0.962054 N\n0.405241 0.626539 0.770012 N\n0.594758 0.373459 0.229989 N\n0.464400 0.219589 0.584991 N\n",
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],
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{
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"created_at": "2022-09-04T14:38:50.859401Z",
"updated_at": "2022-09-04T14:38:50.859430Z",
"structure_string": "Li2 Mn1 Cu3 O8\n1.0\n5.052505 0.018464 2.922239\n1.694369 4.759964 2.922239\n0.026070 0.018464 5.836661\nLi Mn Cu O\n2 1 3 8\ndirect\n0.130664 0.130663 0.130664 Li\n0.869338 0.869334 0.869337 Li\n0.500001 0.499999 0.500000 Mn\n0.500001 -0.000001 0.500000 Cu\n0.000000 0.499999 0.500000 Cu\n0.500001 0.499999 0.000000 Cu\n0.267869 0.267867 0.267868 O\n0.274854 0.274852 0.717063 O\n0.717064 0.274852 0.274853 O\n0.274854 0.717061 0.274854 O\n0.725148 0.282936 0.725147 O\n0.282938 0.725145 0.725147 O\n0.725148 0.725145 0.282938 O\n0.732133 0.732130 0.732132 O\n",
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{
"id": "jvasp-116874",
"created_at": "2022-09-04T14:38:42.391998Z",
"updated_at": "2022-09-04T14:38:42.392024Z",
"structure_string": "Co6 O5 F7\n1.0\n4.490059 -0.013453 0.190128\n0.261563 5.354679 0.376768\n-0.058093 -0.042930 7.461449\nCo O F\n6 5 7\ndirect\n0.509328 0.487037 0.000993 Co\n0.487020 0.174727 0.329266 Co\n0.526724 0.851187 0.675372 Co\n0.989484 0.322948 0.668655 Co\n0.027059 0.650711 0.327610 Co\n0.962322 0.011766 -0.003973 Co\n0.310305 0.459970 0.228993 O\n0.304527 0.129665 0.562857 O\n0.690350 0.205650 0.100936 O\n0.702790 0.539411 0.772543 O\n0.804151 0.044192 0.769974 O\n0.786412 0.360198 0.428647 F\n0.789281 0.690638 0.098982 F\n0.702099 0.865342 0.420394 F\n0.291022 0.797441 0.912609 F\n0.194933 0.976273 0.228748 F\n0.219434 0.301227 0.902994 F\n0.202758 0.631623 0.574432 F\n",
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],
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}
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}