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{
"id": "jvasp-111516",
"created_at": "2022-09-04T14:38:41.592279Z",
"updated_at": "2022-09-04T14:38:41.592303Z",
"structure_string": "H8 C4 Br4 Cl4\n1.0\n5.892180 0.075061 2.151171\n4.231771 4.100675 2.151171\n0.348319 0.143668 14.450777\nH C Br Cl\n8 4 4 4\ndirect\n0.209371 0.452654 0.528757 H\n0.547346 0.790630 0.971243 H\n0.790628 0.547347 0.471243 H\n0.452653 0.209372 0.028757 H\n0.021423 0.511007 0.659625 H\n0.488993 0.978578 0.840375 H\n0.978576 0.488994 0.340375 H\n0.511006 0.021424 0.159625 H\n0.340642 0.238196 0.107499 C\n0.761804 0.659359 0.392501 C\n0.659357 0.761805 0.892501 C\n0.238196 0.340643 0.607499 C\n0.606247 0.223904 0.632495 Br\n0.776096 0.393754 0.867505 Br\n0.393752 0.776097 0.367505 Br\n0.223903 0.606248 0.132495 Br\n0.316341 -0.009362 0.628712 Cl\n0.009361 0.683660 0.871288 Cl\n0.683659 0.009362 0.371288 Cl\n-0.009362 0.316342 0.128712 Cl\n",
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{
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"updated_at": "2022-09-04T14:38:49.124548Z",
"structure_string": "Li4 Co4 P4 O16\n1.0\n5.046477 -0.000201 -0.000105\n0.000269 8.115140 -2.609497\n0.000182 -0.006872 8.329274\nLi Co P O\n4 4 4 16\ndirect\n0.827841 0.986556 0.108771 Li\n0.172160 0.986556 0.608772 Li\n0.321691 0.497325 0.251024 Li\n0.678309 0.497326 0.751023 Li\n0.326885 0.247001 0.486482 Co\n0.176865 0.741581 0.847164 Co\n0.673114 0.247001 0.986482 Co\n0.823136 0.741581 0.347163 Co\n0.183591 0.369217 0.862967 P\n0.816408 0.369216 0.362966 P\n0.681994 0.864594 0.729114 P\n0.318007 0.864595 0.229115 P\n0.881168 0.394953 0.894354 O\n0.118831 0.394952 0.394354 O\n0.305179 0.519871 0.821328 O\n0.694821 0.519871 0.321327 O\n0.244893 0.216068 0.709844 O\n0.755107 0.216068 0.209844 O\n0.807457 0.710267 0.761814 O\n0.815063 0.897748 0.574812 O\n0.380443 0.836268 0.696325 O\n0.619559 0.836269 0.196325 O\n0.682761 0.345302 0.521792 O\n0.317238 0.345301 0.021793 O\n0.260462 0.012052 0.387994 O\n0.184938 0.897749 0.074813 O\n0.192545 0.710266 0.261815 O\n0.739538 0.012052 0.887993 O\n",
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"formula_full": "Li4 Co4 P4 O16",
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{
"id": "jvasp-92314",
"created_at": "2022-09-04T14:36:08.955426Z",
"updated_at": "2022-09-04T14:36:08.955455Z",
"structure_string": "Sr4 Mg4\n1.0\n6.986426 -0.000000 -0.000000\n0.000000 6.986426 -0.000000\n0.000000 -0.000000 6.986426\nSr Mg\n4 4\ndirect\n0.500000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n",
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"volume": 341.00848882193924,
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{
"id": "jvasp-28747",
"created_at": "2022-09-04T14:38:36.206256Z",
"updated_at": "2022-09-04T14:38:36.206275Z",
"structure_string": "Te2 Mo4 Se2 S4\n1.0\n3.312663 0.000000 0.000000\n-1.656331 2.868847 -0.000061\n0.000000 -0.000995 35.876017\nTe Mo Se S\n2 4 2 4\ndirect\n0.666649 0.333299 0.417142 Te\n0.666712 0.333425 0.524057 Te\n0.333280 0.666560 0.098212 Mo\n0.333348 0.666696 0.470588 Mo\n0.666616 0.333234 0.275496 Mo\n0.666755 0.333509 0.658622 Mo\n0.333289 0.666579 0.322284 Se\n0.333280 0.666559 0.228699 Se\n0.333426 0.666853 0.701172 S\n0.666609 0.333216 0.055638 S\n0.666619 0.333236 0.140819 S\n0.333415 0.666831 0.616018 S\n",
"nsites": 12,
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"elements": [
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"volume": 340.9485636126446,
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{
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"created_at": "2022-09-04T14:35:53.603284Z",
"updated_at": "2022-09-04T14:35:53.603311Z",
"structure_string": "K8 Ti2 O8\n1.0\n4.873719 4.952779 0.000000\n-4.873719 4.952779 0.000000\n0.000000 -0.000000 7.061634\nK Ti O\n8 2 8\ndirect\n0.164668 0.835332 0.500000 K\n0.164668 0.835332 0.000000 K\n0.540901 0.853862 0.250000 K\n0.146139 0.459100 0.750000 K\n0.459100 0.146139 0.750000 K\n0.853862 0.540901 0.250000 K\n0.835332 0.164668 0.000000 K\n0.835332 0.164668 0.500000 K\n0.681157 0.681157 0.750000 Ti\n0.318843 0.318843 0.250000 Ti\n0.257390 0.578465 0.250000 O\n0.421535 0.742610 0.750000 O\n0.208415 0.208415 0.036570 O\n0.208415 0.208415 0.463430 O\n0.791585 0.791585 0.963429 O\n0.791585 0.791585 0.536570 O\n0.742610 0.421535 0.750000 O\n0.578465 0.257390 0.250000 O\n",
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"formula_full": "K8 Ti2 O8",
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{
"id": "jvasp-10190",
"created_at": "2022-09-04T14:37:11.095679Z",
"updated_at": "2022-09-04T14:37:11.095698Z",
"structure_string": "Sr6 P6\n1.0\n4.034277 -6.987572 -0.000000\n4.034277 6.987572 -0.000000\n0.000000 0.000000 6.046066\nSr P\n6 6\ndirect\n0.359544 0.000000 0.500000 Sr\n0.640457 0.640457 0.500000 Sr\n0.000000 0.359544 0.500000 Sr\n0.694410 0.000000 0.000000 Sr\n0.305590 0.305590 0.000000 Sr\n0.000000 0.694410 0.000000 Sr\n0.666667 0.333333 0.805556 P\n0.666667 0.333333 0.194445 P\n0.333333 0.666667 0.194445 P\n0.333333 0.666667 0.805556 P\n0.000000 0.000000 0.311455 P\n0.000000 0.000000 0.688546 P\n",
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{
"id": "jvasp-55449",
"created_at": "2022-09-04T14:38:33.734038Z",
"updated_at": "2022-09-04T14:38:33.734054Z",
"structure_string": "Ba4 Na2 Ni6 O12\n1.0\n6.686668 -0.000935 -2.080712\n-2.801098 6.071687 -2.080712\n0.017086 0.026695 8.377663\nBa Na Ni O\n4 2 6 12\ndirect\n0.770936 0.229064 0.000001 Ba\n0.750000 0.249999 0.500000 Ba\n0.250000 0.750001 0.500000 Ba\n0.229063 0.770936 0.000000 Ba\n0.330311 0.330311 0.660622 Na\n0.669690 0.669687 0.339377 Na\n0.694344 0.694343 0.000001 Ni\n0.305657 0.305657 0.000000 Ni\n0.006321 0.006319 0.712684 Ni\n0.293635 0.293635 0.287315 Ni\n0.706364 0.706363 0.712684 Ni\n0.993679 0.993679 0.287315 Ni\n0.499051 0.276808 0.189430 O\n0.702265 0.926484 0.628750 O\n0.297735 0.073516 0.371250 O\n0.309621 0.087378 0.810569 O\n0.276810 0.499052 0.189431 O\n0.912621 0.690379 0.189431 O\n0.500949 0.723190 0.810570 O\n0.690379 0.912620 0.189430 O\n0.723191 0.500948 0.810571 O\n0.087380 0.309621 0.810570 O\n0.926484 0.702264 0.628749 O\n0.073516 0.297736 0.371250 O\n",
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{
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"created_at": "2022-09-04T14:38:39.350875Z",
"updated_at": "2022-09-04T14:38:39.350904Z",
"structure_string": "Rb2 Li1 Pr1 Br6\n1.0\n6.790114 -0.000000 3.920275\n2.263372 6.401781 3.920275\n-0.000000 -0.000000 7.840548\nRb Li Pr Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pr\n0.740696 0.259304 0.259304 Br\n0.259304 0.259304 0.740696 Br\n0.259304 0.740696 0.740696 Br\n0.259304 0.740696 0.259304 Br\n0.740696 0.259304 0.740696 Br\n0.740695 0.740696 0.259304 Br\n",
"nsites": 10,
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{
"id": "jvasp-62588",
"created_at": "2022-09-04T14:35:55.168110Z",
"updated_at": "2022-09-04T14:35:55.168136Z",
"structure_string": "Sr2 Al4 B4 O14\n1.0\n16.133035 -2.474219 -0.003308\n16.133035 2.474219 -0.003308\n15.754456 -0.000000 4.265410\nSr Al B O\n2 4 4 14\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.714869 0.714869 0.714868 Al\n0.214869 0.214869 0.214869 Al\n0.285131 0.285131 0.285131 Al\n0.785132 0.785132 0.785131 Al\n0.132943 0.132943 0.132943 B\n0.367057 0.367057 0.367057 B\n0.867058 0.867058 0.867056 B\n0.632944 0.632944 0.632943 B\n0.750001 0.750001 0.749999 O\n0.250000 0.250000 0.250000 O\n0.562547 0.109996 0.924996 O\n0.924997 0.562547 0.109996 O\n0.109996 0.924997 0.562546 O\n0.937454 0.575005 0.390003 O\n0.437454 0.890004 0.075004 O\n0.390004 0.937454 0.575004 O\n0.075004 0.437454 0.890004 O\n0.062547 0.424996 0.609996 O\n0.424996 0.609997 0.062546 O\n0.609997 0.062547 0.424996 O\n0.575005 0.390004 0.937453 O\n0.890004 0.075004 0.437453 O\n",
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"structure_string": "K2 Sr2 Nb4 O12 F2\n1.0\n3.907790 0.000043 -0.000255\n-0.000037 7.779363 -0.000072\n-1.953332 -3.889461 11.209787\nK Sr Nb O F\n2 2 4 12 2\ndirect\n0.237142 0.237113 0.474225 K\n0.762858 0.762886 0.525775 K\n-0.000000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.607938 0.353797 0.215841 Nb\n0.607932 0.862045 0.215841 Nb\n0.392062 0.646203 0.784159 Nb\n0.392067 0.137955 0.784159 Nb\n0.594725 0.594705 0.189410 O\n0.084626 0.332240 0.169218 O\n0.915380 0.163027 0.830782 O\n0.312382 0.593744 0.624825 O\n0.405275 0.405295 0.810590 O\n0.422331 0.922350 0.844699 O\n0.915374 0.667760 0.830782 O\n0.084619 0.836972 0.169218 O\n0.687618 0.406256 0.375175 O\n0.577669 0.077650 0.155301 O\n0.312392 0.031080 0.624825 O\n0.687607 0.968919 0.375175 O\n0.500000 0.276842 0.000000 F\n0.499999 0.723157 -0.000000 F\n",
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{
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"created_at": "2022-09-04T14:37:05.424899Z",
"updated_at": "2022-09-04T14:37:05.424918Z",
"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.345399 0.000001 -0.000000\n-1.672699 2.897195 0.000045\n-0.000002 -0.000424 35.157785\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.666620 0.333239 0.033607 Te\n0.666633 0.333266 0.141705 Te\n0.333297 0.666593 0.087600 Mo\n0.333333 0.666666 0.473918 W\n0.666697 0.333395 0.286402 W\n0.666669 0.333337 0.654967 W\n0.333367 0.666735 0.334077 Se\n0.666645 0.333287 0.426267 Se\n0.666685 0.333368 0.521582 Se\n0.333375 0.666752 0.238725 Se\n0.333346 0.666692 0.698325 S\n0.333342 0.666685 0.611573 S\n",
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"volume": 340.7589181610642,
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{
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"created_at": "2022-09-04T14:38:44.852210Z",
"updated_at": "2022-09-04T14:38:44.852234Z",
"structure_string": "Ho4 Mg2 S8\n1.0\n6.789615 -0.000000 3.919986\n2.263205 6.401311 3.919986\n-0.000000 0.000000 7.839973\nHo Mg S\n4 2 8\ndirect\n0.625001 0.125000 0.625000 Ho\n0.625001 0.625000 0.125000 Ho\n0.125001 0.625000 0.625000 Ho\n0.625001 0.625000 0.625000 Ho\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.379520 0.379519 0.379519 S\n0.861443 0.379519 0.379519 S\n0.379520 0.861442 0.379519 S\n0.379520 0.379519 0.861442 S\n0.870482 0.870481 0.388558 S\n0.870482 0.388557 0.870481 S\n0.388558 0.870481 0.870481 S\n0.870482 0.870481 0.870481 S\n",
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],
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]
}