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"id": "jvasp-28758",
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"structure_string": "Mo2 W2 Se2 S6\n1.0\n3.225266 0.000000 0.000000\n-1.612633 2.793205 -0.000325\n0.000000 -0.004148 32.877324\nMo W Se S\n2 2 2 6\ndirect\n0.333489 0.666975 0.089969 Mo\n0.666662 0.333320 0.279463 Mo\n0.333437 0.666870 0.468520 W\n0.666417 0.332830 0.664966 W\n0.333126 0.666250 0.717259 Se\n0.333037 0.666072 0.612608 Se\n0.333285 0.666568 0.326780 S\n0.666543 0.333081 0.042683 S\n0.666746 0.333487 0.420953 S\n0.667120 0.334238 0.137296 S\n0.666817 0.333629 0.516110 S\n0.333333 0.666666 0.232142 S\n",
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{
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"structure_string": "Li3 Co2 Ni1 O6\n1.0\n-2.841531 0.010637 -0.007600\n-0.021688 -5.687742 0.053946\n1.409553 1.423125 6.116372\nLi Co Ni O\n3 2 1 6\ndirect\n0.000351 0.507226 0.003644 Li\n0.332376 0.168809 0.667590 Li\n0.664436 0.830408 0.331599 Li\n0.000612 0.002484 0.004012 Co\n0.664181 0.335109 0.331186 Co\n0.332398 0.668794 0.667600 Ni\n0.499593 0.774668 0.001941 O\n0.820852 0.428614 0.644589 O\n0.158322 0.102468 0.319458 O\n0.843937 0.908982 0.690607 O\n0.165200 0.562922 0.333258 O\n0.506472 0.235118 0.015742 O\n",
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{
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"created_at": "2022-09-04T14:38:10.128923Z",
"updated_at": "2022-09-04T14:38:10.128944Z",
"structure_string": "Y1 V1 W2 O8\n1.0\n5.040507 -0.013617 -0.047999\n-1.759270 5.348306 0.000479\n-0.213103 -1.842968 5.615136\nY V W O\n1 1 2 8\ndirect\n0.475318 0.099850 0.723381 Y\n0.975061 0.099284 0.222850 V\n0.727805 0.585522 0.395534 W\n0.222785 0.613722 0.051140 W\n0.687688 0.807292 0.669556 O\n0.762299 0.305595 0.489358 O\n0.619655 0.791493 0.179901 O\n0.836371 0.368065 0.059025 O\n0.187972 0.894146 0.957764 O\n0.260972 0.391602 0.776530 O\n0.330667 0.408458 0.265565 O\n0.113512 0.831068 0.387898 O\n",
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{
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"created_at": "2022-09-04T14:38:10.280004Z",
"updated_at": "2022-09-04T14:38:10.280012Z",
"structure_string": "Ta2 F10\n1.0\n3.627438 0.000000 0.000000\n-1.813719 5.437505 0.000000\n0.000000 -0.000000 8.312925\nTa F\n2 10\ndirect\n0.500000 0.000000 0.500000 Ta\n0.500000 0.000000 0.000000 Ta\n0.470093 0.940185 0.250000 F\n0.529907 0.059815 0.750000 F\n0.076443 0.152886 0.585331 F\n0.923557 0.847113 0.414668 F\n0.338702 0.677406 0.915546 F\n0.661298 0.322594 0.084454 F\n0.661298 0.322594 0.415546 F\n0.338702 0.677406 0.584453 F\n0.076443 0.152886 0.914668 F\n0.923557 0.847113 0.085331 F\n",
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{
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"created_at": "2022-09-04T14:38:10.040056Z",
"updated_at": "2022-09-04T14:38:10.040072Z",
"structure_string": "Cr2 Hg2 O8\n1.0\n5.279238 0.098812 0.000000\n-2.161125 4.817640 -0.000000\n-0.000000 0.000000 7.139287\nCr Hg O\n2 2 8\ndirect\n0.631696 0.368305 0.250000 Cr\n0.368306 0.631695 0.750000 Cr\n0.000000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.718712 0.761134 0.750000 O\n0.281289 0.238865 0.250000 O\n0.761136 0.718711 0.250000 O\n0.238866 0.281288 0.750000 O\n0.263381 0.736619 0.939048 O\n0.736620 0.263380 0.439048 O\n0.736620 0.263380 0.060952 O\n0.263381 0.736619 0.560953 O\n",
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"formula_full": "Cr2 Hg2 O8",
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"formula_anonymous": "ABC4",
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{
"id": "jvasp-12483",
"created_at": "2022-09-04T14:38:10.046929Z",
"updated_at": "2022-09-04T14:38:10.046948Z",
"structure_string": "Pb4 I4 Cl4\n1.0\n4.644140 -0.000000 0.000000\n0.000000 8.182603 0.000000\n0.000000 0.000000 9.666920\nPb I Cl\n4 4 4\ndirect\n0.250000 0.717527 0.616399 Pb\n0.750000 0.282473 0.383601 Pb\n0.250000 0.217527 0.883601 Pb\n0.750000 0.782473 0.116399 Pb\n0.250000 0.467996 0.169970 I\n0.750000 0.032003 0.669970 I\n0.250000 0.967996 0.330030 I\n0.750000 0.532003 0.830030 I\n0.750000 0.639852 0.438591 Cl\n0.250000 0.860147 0.938591 Cl\n0.750000 0.139852 0.061409 Cl\n0.250000 0.360147 0.561409 Cl\n",
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"spacegroup": 62
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{
"id": "jvasp-9617",
"created_at": "2022-09-04T14:38:26.845887Z",
"updated_at": "2022-09-04T14:38:26.845908Z",
"structure_string": "Co4 As4 S4\n1.0\n5.598873 0.000000 0.000000\n0.000000 5.604344 0.000000\n0.000000 0.000000 5.607927\nCo As S\n4 4 4\ndirect\n0.501656 0.494202 0.239941 Co\n0.501656 0.994201 0.760060 Co\n0.001657 0.005798 0.239941 Co\n0.001657 0.505798 0.760060 Co\n0.382963 0.879128 0.370448 As\n0.882962 0.620871 0.370448 As\n0.382963 0.379129 0.629553 As\n0.882962 0.120871 0.629553 As\n0.622380 0.118773 0.129460 S\n0.122380 0.381227 0.129460 S\n0.122380 0.881226 0.870540 S\n0.622380 0.618773 0.870540 S\n",
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{
"id": "jvasp-30460",
"created_at": "2022-09-04T14:38:10.199980Z",
"updated_at": "2022-09-04T14:38:10.200011Z",
"structure_string": "Bi4 S8\n1.0\n-1.236441 3.861332 0.000000\n-6.680704 -0.010608 -4.838275\n-6.569548 0.024985 6.639002\nBi S\n4 8\ndirect\n0.294682 0.301735 0.108899 Bi\n0.396766 0.826172 0.380293 Bi\n0.603232 0.173826 0.619708 Bi\n0.705316 0.698265 0.891102 Bi\n0.345468 0.469740 0.839322 S\n0.786911 0.078354 0.347822 S\n0.923410 0.619688 0.533488 S\n0.213086 0.921645 0.652179 S\n0.036284 0.876408 0.051022 S\n0.076587 0.380311 0.466514 S\n0.654530 0.530258 0.160679 S\n0.963714 0.123591 0.948979 S\n",
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{
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"created_at": "2022-09-04T14:38:26.807028Z",
"updated_at": "2022-09-04T14:38:26.807056Z",
"structure_string": "Rb3 Mn2 Cl7\n1.0\n4.938390 -0.000000 -0.936730\n-0.177682 4.935192 -0.936730\n0.008124 0.008422 13.528661\nRb Mn Cl\n3 2 7\ndirect\n0.181633 0.181633 0.363265 Rb\n0.818367 0.818366 0.636735 Rb\n0.000000 0.000000 0.000000 Rb\n0.401534 0.401534 0.803069 Mn\n0.598466 0.598465 0.196931 Mn\n0.905342 0.405342 0.810685 Cl\n0.405342 0.905341 0.810685 Cl\n0.094658 0.594657 0.189315 Cl\n0.594658 0.094658 0.189315 Cl\n0.693879 0.693878 0.387757 Cl\n0.500000 0.500000 -0.000000 Cl\n0.306121 0.306121 0.612243 Cl\n",
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{
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"created_at": "2022-09-04T14:38:10.220768Z",
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"structure_string": "Hf4 As8\n1.0\n3.720458 0.000000 0.000000\n-0.000000 6.845838 0.000000\n0.000000 0.000000 9.011186\nHf As\n4 8\ndirect\n0.250000 0.272190 0.338757 Hf\n0.750000 0.727810 0.661243 Hf\n0.250000 0.772190 0.161243 Hf\n0.750000 0.227810 0.838757 Hf\n0.250000 0.421157 0.648858 As\n0.750000 0.578843 0.351142 As\n0.250000 0.921157 0.851142 As\n0.750000 0.078843 0.148858 As\n0.750000 0.120138 0.542896 As\n0.250000 0.879862 0.457104 As\n0.750000 0.620138 0.957104 As\n0.250000 0.379862 0.042896 As\n",
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{
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"created_at": "2022-09-04T14:38:10.287346Z",
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"structure_string": "Te4 Mo4 S4\n1.0\n-1.515980 3.021197 -0.000208\n0.000475 -0.001834 -26.649167\n-1.858439 -2.823477 0.000106\nTe Mo S\n4 4 4\ndirect\n0.666658 0.316869 0.333228 Te\n0.333329 0.067122 0.666636 Te\n0.333341 0.683132 0.666766 Te\n0.666671 0.932878 0.333366 Te\n0.333323 0.388707 0.666557 Mo\n0.666663 0.138889 0.333287 Mo\n0.333337 0.861111 0.666714 Mo\n0.666676 0.611293 0.333437 Mo\n0.333331 0.194162 0.666609 S\n0.666657 0.443591 0.333220 S\n0.666669 0.805837 0.333392 S\n0.333343 0.556409 0.666774 S\n",
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]
}