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{
"id": "jvasp-28520",
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{
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{
"id": "jvasp-28544",
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"updated_at": "2022-09-04T14:37:46.293203Z",
"structure_string": "Mo1 W2 Se2 S4\n1.0\n3.237720 0.000000 0.000000\n-1.618860 2.800890 0.129706\n0.000000 0.998564 19.161039\nMo W Se S\n1 2 2 4\ndirect\n0.445967 0.891931 0.009167 Mo\n0.220304 0.440605 0.685165 W\n0.667040 0.334078 0.346629 W\n0.303488 0.606978 0.436522 Se\n0.363908 0.727818 0.256740 Se\n0.806611 0.613220 0.927914 S\n0.581127 0.162253 0.603425 S\n0.751969 0.503937 0.090473 S\n0.526186 0.052370 0.766805 S\n",
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{
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"created_at": "2022-09-04T14:37:46.566065Z",
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"structure_string": "Mo1 W2 Se2 S4\n1.0\n3.237703 0.000000 0.000000\n-1.618852 2.800653 -0.134836\n0.000000 -0.960429 19.168473\nMo W Se S\n1 2 2 4\ndirect\n0.222948 0.445895 0.017132 Mo\n0.445002 0.890004 0.681176 W\n0.665350 0.330701 0.342625 W\n0.748186 0.496371 0.591310 Se\n0.808484 0.616966 0.771018 Se\n0.359440 0.718880 0.424324 S\n0.529022 0.058045 0.935901 S\n0.583562 0.167125 0.098403 S\n0.304603 0.609205 0.260950 S\n",
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"formula_full": "Mo1 W2 Se2 S4",
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{
"id": "jvasp-28548",
"created_at": "2022-09-04T14:37:52.579444Z",
"updated_at": "2022-09-04T14:37:52.579470Z",
"structure_string": "Te2 Mo2 W1 S4\n1.0\n3.309115 0.000000 0.000000\n-1.654557 2.853440 -0.264939\n0.000000 -1.994817 19.912164\nTe Mo W S\n2 2 1 4\ndirect\n0.712898 0.425800 0.583408 Te\n0.843458 0.686919 0.778862 Te\n0.340061 0.680123 0.024133 Mo\n0.444850 0.889704 0.681150 Mo\n0.548384 0.096769 0.335649 W\n0.267350 0.534703 0.413963 S\n0.621395 0.242792 0.946284 S\n0.725328 0.450657 0.101898 S\n0.162864 0.325728 0.257491 S\n",
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"density_atomic": 0.04831722911256836,
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"formula_full": "Te2 Mo2 W1 S4",
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"formula_anonymous": "AB2C2D4",
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{
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"created_at": "2022-09-04T14:37:36.397955Z",
"updated_at": "2022-09-04T14:37:36.397966Z",
"structure_string": "Te2 Mo1 W2 S4\n1.0\n3.310434 0.000000 0.000000\n-1.655218 2.863742 -0.134955\n0.000000 -0.994313 19.747916\nTe Mo W S\n2 1 2 4\ndirect\n0.744681 0.489362 0.583065 Te\n0.810525 0.621052 0.779283 Te\n0.225967 0.451934 0.023458 Mo\n0.444272 0.888546 0.681186 W\n0.663065 0.326133 0.336286 W\n0.355930 0.711862 0.414394 S\n0.533241 0.066482 0.945834 S\n0.585373 0.170745 0.101129 S\n0.303541 0.607085 0.258209 S\n",
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"formula_full": "Te2 Mo1 W2 S4",
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"formula_anonymous": "AB2C2D4",
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{
"id": "jvasp-28557",
"created_at": "2022-09-04T14:37:52.128765Z",
"updated_at": "2022-09-04T14:37:52.128793Z",
"structure_string": "Mo2 W1 Se2 S4\n1.0\n3.239151 0.000000 0.000000\n-1.619576 2.790218 -0.264640\n0.000000 -1.858489 19.383969\nMo W Se S\n2 1 2 4\ndirect\n0.308928 0.617860 0.016538 Mo\n0.448149 0.896300 0.681561 Mo\n0.576182 0.152365 0.342847 W\n0.723073 0.446147 0.592358 Se\n0.839916 0.679833 0.770735 Se\n0.296702 0.593405 0.424545 S\n0.589021 0.178044 0.935393 S\n0.695802 0.391606 0.097607 S\n0.188821 0.377644 0.261260 S\n",
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{
"id": "jvasp-101972",
"created_at": "2022-09-04T14:36:30.949834Z",
"updated_at": "2022-09-04T14:36:30.949844Z",
"structure_string": "Sn2 H8 C4 Cl4\n1.0\n5.509799 0.002296 0.013955\n2.750153 5.098811 0.867817\n-0.020605 0.004686 9.396726\nSn H C Cl\n2 8 4 4\ndirect\n0.820477 0.000100 0.250021 Sn\n0.179821 0.000083 0.749964 Sn\n0.970547 0.281476 0.485082 H\n0.252596 0.719130 0.015034 H\n0.747701 0.281053 0.984953 H\n0.029742 0.718706 0.514905 H\n0.268526 0.815403 0.432891 H\n0.917428 0.814484 0.933234 H\n0.082865 0.185702 0.066752 H\n0.731771 0.184774 0.567098 H\n0.946622 0.114906 0.539954 C\n0.053671 0.885278 0.460035 C\n0.061819 0.885157 0.960132 C\n0.938476 0.115031 0.039855 C\n0.327229 0.314057 0.794351 Cl\n0.641199 0.686334 0.705467 Cl\n0.359099 0.313846 0.294521 Cl\n0.673071 0.686124 0.205637 Cl\n",
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{
"id": "jvasp-28518",
"created_at": "2022-09-04T14:36:31.127161Z",
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"structure_string": "Mo1 W2 Se4 S2\n1.0\n3.281526 -0.001413 -0.001404\n-1.639583 2.839292 -0.133625\n0.013597 -0.988116 19.559144\nMo W Se S\n1 2 4 2\ndirect\n0.220483 0.441493 0.009687 Mo\n0.445385 0.890090 0.680512 W\n0.667442 0.335029 0.350725 W\n0.363295 0.727049 0.437912 Se\n0.524825 0.049861 0.923076 Se\n0.582840 0.166531 0.096403 Se\n0.304908 0.609649 0.263510 Se\n0.752167 0.503352 0.601195 S\n0.805266 0.610139 0.759821 S\n",
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{
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"structure_string": "Cu1 H4 O2 F2\n1.0\n0.796663 0.000000 -3.236417\n-3.580249 -3.680937 1.458190\n-3.580249 3.680937 1.458190\nCu H O F\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.007849 0.770248 0.445764 H\n0.007849 0.445764 0.770248 H\n0.992153 0.229753 0.554236 H\n0.992153 0.554236 0.229753 H\n0.000000 0.739436 0.260565 O\n0.000000 0.260565 0.739436 O\n0.947261 0.237214 0.237214 F\n0.052741 0.762787 0.762787 F\n",
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{
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"structure_string": "Mo1 W2 Se2 S4\n1.0\n3.233944 0.000000 -0.000000\n-1.616971 2.800680 -0.000000\n-0.000000 -0.000000 27.872976\nMo W Se S\n1 2 2 4\ndirect\n0.666656 0.333313 0.346982 Mo\n0.333333 0.666667 0.115367 W\n0.333333 0.666667 0.578598 W\n0.333315 0.666631 0.408213 Se\n0.333315 0.666631 0.285752 Se\n0.666663 0.333327 0.059398 S\n0.666659 0.333318 0.522567 S\n0.666659 0.333318 0.171398 S\n0.666663 0.333327 0.634567 S\n",
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{
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"structure_string": "Rb4 Li4 Ge2 O8\n1.0\n5.634077 -0.007477 0.020180\n0.485421 5.725029 -0.002865\n2.421459 0.807526 8.448091\nRb Li Ge O\n4 4 2 8\ndirect\n0.470895 0.848848 0.729184 Rb\n0.529105 0.151152 0.270815 Rb\n0.784684 0.722627 0.022560 Rb\n0.215316 0.277374 0.977440 Rb\n0.072694 0.817505 0.560805 Li\n0.927307 0.182495 0.439194 Li\n0.305420 0.410771 0.579565 Li\n0.694580 0.589229 0.420434 Li\n0.855491 0.315065 0.725042 Ge\n0.144509 0.684936 0.274957 Ge\n0.015256 0.574295 0.722546 O\n0.984745 0.425705 0.277453 O\n0.897526 0.867056 0.393934 O\n0.102474 0.132945 0.606065 O\n0.270884 0.797961 0.077144 O\n0.729117 0.202039 0.922855 O\n0.369717 0.640912 0.388745 O\n0.630284 0.359088 0.611254 O\n",
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]
}