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{
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{
"id": "jvasp-19096",
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"structure_string": "Sr4 Se4 O16\n1.0\n0.000000 6.919535 0.030696\n7.384628 0.000000 0.000000\n0.000000 -5.236719 -6.964168\nSr Se O\n4 4 16\ndirect\n0.823669 0.656201 0.721971 Sr\n0.176331 0.156200 0.778029 Sr\n0.176331 0.343800 0.278029 Sr\n0.823669 0.843800 0.221970 Sr\n0.310831 0.664677 0.694692 Se\n0.689169 0.164677 0.805308 Se\n0.689169 0.335323 0.305308 Se\n0.310831 0.835323 0.194691 Se\n0.883750 0.160579 0.385748 O\n0.116250 0.660579 0.114252 O\n0.191020 0.503429 0.748104 O\n0.808981 0.003429 0.751896 O\n0.808981 0.496571 0.251896 O\n0.191020 0.996571 0.248104 O\n0.331065 0.889725 0.018507 O\n0.595407 0.785672 0.378954 O\n0.668935 0.110275 0.981493 O\n0.331065 0.610275 0.518507 O\n0.883750 0.339421 0.885748 O\n0.404594 0.285672 0.121046 O\n0.404594 0.214328 0.621046 O\n0.595407 0.714329 0.878954 O\n0.668935 0.389725 0.481493 O\n0.116250 0.839421 0.614252 O\n",
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{
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{
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"created_at": "2022-09-04T14:36:34.240187Z",
"updated_at": "2022-09-04T14:36:34.240215Z",
"structure_string": "Hg4 N4 O8\n1.0\n4.334587 -0.029068 0.000000\n-2.020386 5.894183 0.000000\n0.000000 0.000000 10.825698\nHg N O\n4 4 8\ndirect\n0.844850 0.854191 0.916368 Hg\n0.155149 0.645808 0.416368 Hg\n0.155149 0.145808 0.083632 Hg\n0.844851 0.354191 0.583632 Hg\n0.313380 0.504366 0.787698 N\n0.686620 -0.004366 0.287698 N\n0.686619 0.495633 0.212303 N\n0.313381 0.004366 0.712303 N\n0.607165 0.613317 0.754773 O\n0.392834 0.886682 0.254772 O\n0.392835 0.386682 0.245228 O\n0.607165 0.113317 0.745228 O\n0.234061 0.546718 0.892842 O\n0.765938 0.953281 0.392842 O\n0.765939 0.453282 0.107158 O\n0.234061 0.046718 0.607158 O\n",
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{
"id": "jvasp-96910",
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"updated_at": "2022-09-04T14:36:34.974905Z",
"structure_string": "Nb12 Cu4 O32\n1.0\n5.117052 0.000000 0.000000\n0.000000 7.446139 -1.510324\n0.000000 -0.002446 15.045349\nNb Cu O\n12 4 32\ndirect\n0.740617 0.842266 0.832054 Nb\n0.751896 0.851996 0.335820 Nb\n0.251897 0.648004 0.164180 Nb\n0.248103 0.148003 0.664180 Nb\n0.748103 0.351996 0.835820 Nb\n0.247829 0.677622 0.424192 Nb\n0.240618 0.657733 0.667947 Nb\n0.752171 0.322378 0.575808 Nb\n0.252171 0.177621 0.924192 Nb\n0.759382 0.342266 0.332054 Nb\n0.259382 0.157734 0.167946 Nb\n0.747829 0.822378 0.075808 Nb\n0.754816 0.337712 0.080745 Cu\n0.745184 0.837711 0.580745 Cu\n0.245184 0.662288 0.919256 Cu\n0.254816 0.162288 0.419255 Cu\n0.421809 0.198597 0.785110 O\n0.100959 0.187479 0.039114 O\n0.399041 0.687479 0.539114 O\n0.899040 0.812521 0.960887 O\n0.078191 0.698597 0.285110 O\n0.578191 0.801403 0.214890 O\n0.921809 0.301402 0.714890 O\n0.600959 0.312521 0.460886 O\n0.575486 0.569817 0.344756 O\n0.103089 0.918827 0.655429 O\n0.075487 0.930182 0.155244 O\n0.424513 0.430182 0.655244 O\n0.924513 0.069817 0.844756 O\n0.072421 0.439980 0.400006 O\n0.572421 0.060019 0.099994 O\n0.927579 0.560019 0.599995 O\n0.427579 0.939980 0.900006 O\n0.921576 0.806536 0.454409 O\n0.421576 0.693464 0.045591 O\n0.396911 0.418827 0.155429 O\n0.078424 0.193464 0.545591 O\n0.425577 0.908203 0.401857 O\n0.925577 0.591796 0.098143 O\n0.574423 0.091796 0.598143 O\n0.074423 0.408203 0.901857 O\n0.575450 0.803103 0.716430 O\n0.075450 0.696897 0.783571 O\n0.424549 0.196897 0.283571 O\n0.924549 0.303103 0.216430 O\n0.603089 0.581173 0.844571 O\n0.578424 0.306536 0.954409 O\n0.896911 0.081173 0.344571 O\n",
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{
"id": "jvasp-95463",
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"updated_at": "2022-09-04T14:36:35.135854Z",
"structure_string": "H20 C8 Cl4 O4\n1.0\n5.906024 0.000000 -2.134186\n0.000000 7.779288 0.000000\n-0.046583 0.000000 8.066731\nH C Cl O\n20 8 4 4\ndirect\n0.462507 0.833454 0.049427 H\n0.448756 0.438030 0.150329 H\n0.938329 0.237132 0.793644 H\n0.614948 0.520247 0.653030 H\n0.948756 0.061970 0.650328 H\n0.885052 0.020247 0.846969 H\n0.051244 0.938031 0.349671 H\n0.537493 0.166547 0.950572 H\n0.191298 0.815062 0.669586 H\n0.438329 0.262868 0.293644 H\n0.551244 0.561970 0.849671 H\n0.061671 0.762868 0.206355 H\n0.037493 0.333454 0.450572 H\n0.691297 0.684939 0.169586 H\n0.114948 0.979753 0.153031 H\n0.808702 0.184939 0.330413 H\n0.962507 0.666547 0.549427 H\n0.308702 0.315062 0.830413 H\n0.385052 0.479753 0.346969 H\n0.561671 0.737132 0.706355 H\n0.483486 0.399193 0.288531 C\n0.132251 0.681202 0.648039 C\n0.983486 0.100807 0.788531 C\n0.516514 0.600807 0.711468 C\n0.632250 0.818798 0.148039 C\n0.867749 0.318798 0.351960 C\n0.016514 0.899193 0.211469 C\n0.367750 0.181202 0.851960 C\n0.094190 0.622395 0.862173 Cl\n0.594189 0.877605 0.362173 Cl\n0.405811 0.122395 0.637826 Cl\n0.905810 0.377605 0.137826 Cl\n0.780282 0.926512 0.108688 O\n0.719717 0.426511 0.391311 O\n0.280283 0.573489 0.608688 O\n0.219718 0.073489 0.891311 O\n",
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{
"id": "jvasp-96912",
"created_at": "2022-09-04T14:36:35.762424Z",
"updated_at": "2022-09-04T14:36:35.762435Z",
"structure_string": "K4 Sb8 F28\n1.0\n7.530825 0.000000 0.000000\n0.000000 8.079329 -1.646936\n0.000000 0.005053 10.725835\nK Sb F\n4 8 28\ndirect\n0.163344 0.824000 0.575070 K\n0.663344 0.676000 0.424929 K\n0.336656 0.324000 0.575070 K\n0.836656 0.176000 0.424929 K\n0.311745 0.014463 0.255389 Sb\n0.821253 0.834745 0.093796 Sb\n0.688254 0.985537 0.744611 Sb\n0.188255 0.514463 0.255388 Sb\n0.678746 0.334744 0.093797 Sb\n0.178746 0.165255 0.906203 Sb\n0.811745 0.485537 0.744611 Sb\n0.321254 0.665255 0.906203 Sb\n0.341867 0.532757 0.411379 F\n0.492829 0.122787 0.379568 F\n0.992829 0.377213 0.620431 F\n0.507171 0.877213 0.620431 F\n0.007171 0.622787 0.379568 F\n0.158133 0.032757 0.411379 F\n0.658133 0.467243 0.588620 F\n0.841866 0.967243 0.588620 F\n0.567188 0.945833 0.113904 F\n0.907887 0.195138 0.854135 F\n0.067189 0.554166 0.886095 F\n0.432811 0.054166 0.886095 F\n0.932811 0.445833 0.113904 F\n0.894321 0.073502 0.115549 F\n0.394321 0.426497 0.884450 F\n0.105679 0.926497 0.884450 F\n0.605678 0.573502 0.115549 F\n0.592112 0.695138 0.854134 F\n0.795904 0.867390 0.278787 F\n0.204096 0.132609 0.721212 F\n0.704095 0.367390 0.278787 F\n0.114592 0.301519 0.301636 F\n0.614591 0.198481 0.698363 F\n0.885408 0.698481 0.698363 F\n0.385408 0.801519 0.301636 F\n0.407887 0.304862 0.145865 F\n0.295904 0.632610 0.721212 F\n0.092113 0.804862 0.145865 F\n",
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{
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"created_at": "2022-09-04T14:36:35.861884Z",
"updated_at": "2022-09-04T14:36:35.861901Z",
"structure_string": "H16 S4 O20\n1.0\n6.672251 0.000000 -1.037207\n0.000000 7.326861 0.000000\n1.085710 0.000000 7.574319\nH S O\n16 4 20\ndirect\n0.407580 0.166470 0.731673 H\n0.786221 0.092488 0.235277 H\n0.921593 0.163233 0.411437 H\n0.078407 0.663233 0.088562 H\n0.219315 0.812362 0.190672 H\n0.213779 0.592488 0.264723 H\n0.213779 0.907512 0.764723 H\n0.780685 0.312362 0.309328 H\n0.078407 0.836767 0.588562 H\n0.786221 0.407512 0.735277 H\n0.780685 0.187638 0.809328 H\n0.921593 0.336767 0.911437 H\n0.407580 0.333530 0.231673 H\n0.592420 0.833530 0.268327 H\n0.592420 0.666470 0.768327 H\n0.219315 0.687638 0.690672 H\n0.753987 0.653355 0.430908 S\n0.246012 0.153355 0.069092 S\n0.246012 0.346645 0.569092 S\n0.753987 0.846645 0.930908 S\n0.205638 0.824751 0.660131 O\n0.794362 0.324751 0.839869 O\n0.080451 0.280977 0.058469 O\n0.919549 0.780976 0.441531 O\n0.919549 0.719023 0.941531 O\n0.080451 0.219023 0.558469 O\n0.435616 0.266709 0.118975 O\n0.564383 0.766709 0.381025 O\n0.564383 0.733291 0.881025 O\n0.435616 0.233291 0.618975 O\n0.784235 0.517617 0.293132 O\n0.784235 0.982383 0.793132 O\n0.215765 0.482383 0.706868 O\n0.298059 0.430382 0.401272 O\n0.701941 0.930382 0.098728 O\n0.701941 0.569618 0.598728 O\n0.298059 0.069618 0.901272 O\n0.205638 0.675249 0.160131 O\n0.215765 0.017617 0.206868 O\n0.794362 0.175249 0.339869 O\n",
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{
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"structure_string": "Li2 Bi2 B4 O12\n1.0\n0.000000 4.590261 0.000841\n5.889940 0.000000 0.000000\n0.000000 -4.207652 -8.042395\nLi Bi B O\n2 2 4 12\ndirect\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Bi\n-0.000000 0.000000 0.500000 Bi\n0.733689 0.136069 0.741231 B\n0.266311 0.636069 0.758768 B\n0.733689 0.363931 0.241232 B\n0.266311 0.863931 0.258768 B\n0.544648 0.813050 0.405535 O\n0.455352 0.313050 0.094465 O\n0.748081 0.315391 0.394200 O\n0.009780 0.047647 0.739075 O\n0.990220 0.952353 0.260925 O\n0.748081 0.184609 0.894199 O\n0.544648 0.686950 0.905534 O\n0.455352 0.186950 0.594465 O\n0.251919 0.815391 0.105800 O\n0.009780 0.452353 0.239075 O\n0.251919 0.684609 0.605800 O\n0.990220 0.547647 0.760924 O\n",
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{
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{
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{
"id": "jvasp-96913",
"created_at": "2022-09-04T14:36:36.204166Z",
"updated_at": "2022-09-04T14:36:36.204193Z",
"structure_string": "Ba4 P12 Pt8\n1.0\n5.843420 0.000000 0.000000\n0.000000 8.088078 -2.433852\n0.000000 0.001191 11.719063\nBa P Pt\n4 12 8\ndirect\n0.412544 0.240504 0.852605 Ba\n0.587456 0.759496 0.147395 Ba\n0.912544 0.759496 0.647395 Ba\n0.087456 0.240504 0.352605 Ba\n0.384450 0.725251 0.417228 P\n0.346399 0.454886 0.674830 P\n0.153601 0.454886 0.174830 P\n0.653601 0.545114 0.325170 P\n0.620127 0.932197 0.928175 P\n0.120127 0.067803 0.571825 P\n0.379873 0.067803 0.071825 P\n0.879873 0.932197 0.428175 P\n0.115550 0.725251 0.917228 P\n0.615550 0.274749 0.582772 P\n0.884450 0.274749 0.082772 P\n0.846399 0.545114 0.825170 P\n0.516532 0.337660 0.161300 Pt\n0.500000 -0.000000 0.500000 Pt\n0.000000 0.500000 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.483468 0.662340 0.838700 Pt\n0.983468 0.337660 0.661300 Pt\n0.016532 0.662340 0.338700 Pt\n",
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"chemical_system": "Ba-P-Pt",
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{
"id": "jvasp-99213",
"created_at": "2022-09-04T14:36:37.688753Z",
"updated_at": "2022-09-04T14:36:37.688763Z",
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}