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{
"id": "jvasp-28764",
"created_at": "2022-09-04T14:37:29.504553Z",
"updated_at": "2022-09-04T14:37:29.504585Z",
"structure_string": "Mo3 W1 Se2 S6\n1.0\n3.223413 0.000000 -0.000003\n-1.611707 2.791569 -0.000004\n-0.000031 -0.000087 34.035989\nMo W Se S\n3 1 2 6\ndirect\n0.333314 0.666639 0.096798 Mo\n0.333331 0.666664 0.468448 Mo\n0.666670 0.333340 0.279222 Mo\n0.666682 0.333357 0.658443 W\n0.666656 0.333319 0.418186 Se\n0.666674 0.333348 0.518710 Se\n0.333330 0.666659 0.324968 S\n0.333346 0.666683 0.704384 S\n0.666643 0.333299 0.051106 S\n0.666654 0.333319 0.142531 S\n0.333339 0.666680 0.233498 S\n0.333347 0.666688 0.612451 S\n",
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{
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"structure_string": "Li4 Co3 Sn1 P4 O16\n1.0\n5.899093 -0.000000 0.000000\n0.000000 4.750231 0.227287\n0.000000 0.270751 10.942796\nLi Co Sn P O\n4 3 1 4 16\ndirect\n0.250797 0.030480 0.014736 Li\n0.749203 0.030480 0.014736 Li\n0.759572 0.456582 0.480508 Li\n0.240427 0.456582 0.480508 Li\n-0.000000 0.002057 0.272807 Co\n-0.000000 0.540218 0.805797 Co\n0.500000 0.517977 0.218711 Co\n0.500000 0.024732 0.714988 Sn\n-0.000000 0.872702 0.578906 P\n-0.000000 0.593425 0.100064 P\n0.500000 0.464355 0.931849 P\n0.500000 0.051631 0.384470 P\n0.794355 0.734198 0.654595 O\n0.500000 0.729396 0.390002 O\n0.500000 0.785803 0.933706 O\n0.206668 0.718409 0.170114 O\n0.793331 0.718409 0.170114 O\n-0.000000 0.748314 0.969758 O\n0.500000 0.305846 0.061330 O\n0.290218 0.192621 0.315942 O\n0.285613 0.351525 0.865558 O\n-0.000000 0.271846 0.101083 O\n-0.000000 0.193510 0.572496 O\n0.709781 0.192621 0.315942 O\n0.205644 0.734198 0.654595 O\n0.500000 0.176887 0.511250 O\n0.714386 0.351525 0.865558 O\n-0.000000 0.753664 0.449888 O\n",
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{
"id": "jvasp-20405",
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"updated_at": "2022-09-04T14:37:37.587375Z",
"structure_string": "Mg12 Ni6\n1.0\n2.594372 -4.493584 -0.000000\n2.594372 4.493584 0.000000\n-0.000000 -0.000000 13.136000\nMg Ni\n12 6\ndirect\n0.500000 0.500000 0.717195 Mg\n0.835835 0.164164 0.833333 Mg\n0.164164 0.328330 0.500000 Mg\n0.671669 0.835835 0.166667 Mg\n0.835835 0.671669 0.500000 Mg\n0.164164 0.835835 0.833333 Mg\n0.328330 0.164164 0.166667 Mg\n0.500000 0.000000 0.616138 Mg\n0.500000 0.500000 0.949472 Mg\n0.000000 0.500000 0.050528 Mg\n0.500000 0.000000 0.383862 Mg\n0.000000 0.500000 0.282805 Mg\n0.500000 0.500000 0.333333 Ni\n0.000000 0.000000 0.666667 Ni\n0.000000 0.000000 0.333333 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.666667 Ni\n0.500000 0.000000 0.000000 Ni\n",
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},
{
"id": "jvasp-11966",
"created_at": "2022-09-04T14:35:55.934628Z",
"updated_at": "2022-09-04T14:35:55.934653Z",
"structure_string": "Mg12 Ni6\n1.0\n5.188746 0.000000 -0.000000\n-2.594373 4.493586 -0.000000\n-0.000000 0.000000 13.135996\nMg Ni\n12 6\ndirect\n0.500000 0.000000 0.116138 Mg\n0.835837 0.671671 0.000000 Mg\n0.164165 0.835836 0.333333 Mg\n0.671671 0.835836 0.666667 Mg\n0.835836 0.164165 0.333333 Mg\n0.164165 0.328330 0.000000 Mg\n0.328330 0.164165 0.666667 Mg\n0.500001 0.500000 0.217195 Mg\n0.500000 0.000000 0.883862 Mg\n0.000001 0.500000 0.782805 Mg\n0.500001 0.500000 0.449472 Mg\n0.000001 0.500000 0.550528 Mg\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.166667 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.833333 Ni\n0.000001 0.500000 0.166667 Ni\n0.500001 0.500000 0.833333 Ni\n",
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},
{
"id": "jvasp-11362",
"created_at": "2022-09-04T14:37:19.359390Z",
"updated_at": "2022-09-04T14:37:19.359416Z",
"structure_string": "K2 Pt4 Se6\n1.0\n6.469388 -0.074621 4.092577\n2.216277 6.078377 4.092577\n-0.107955 -0.074621 7.654445\nK Pt Se\n2 4 6\ndirect\n0.200956 0.200956 0.200955 K\n0.799045 0.799045 0.799044 K\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.499999 Pt\n0.500000 0.500000 0.000000 Pt\n0.762253 0.762254 0.275250 Se\n0.237747 0.724750 0.237747 Se\n0.762254 0.275250 0.762252 Se\n0.275251 0.762254 0.762252 Se\n0.237748 0.237747 0.724749 Se\n0.724750 0.237747 0.237747 Se\n",
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{
"id": "jvasp-54756",
"created_at": "2022-09-04T14:38:09.429597Z",
"updated_at": "2022-09-04T14:38:09.429622Z",
"structure_string": "Ta4 H8 O14\n1.0\n4.776801 5.603597 0.000000\n0.000000 5.603597 5.721507\n4.776801 0.000000 5.721507\nTa H O\n4 8 14\ndirect\n0.459562 0.972971 0.494916 Ta\n0.427449 0.505084 0.027030 Ta\n0.972970 0.459563 0.572551 Ta\n0.505084 0.427449 0.540438 Ta\n0.270250 0.270251 -0.020250 H\n0.020250 0.020251 0.729750 H\n0.245202 0.039323 0.207242 H\n0.039323 0.245203 0.008232 H\n0.792758 0.991769 0.754797 H\n0.991768 0.792759 -0.039324 H\n0.637470 0.637470 0.112530 H\n0.887470 0.887470 0.362530 H\n0.762905 0.473112 0.470442 O\n0.375864 0.866394 0.392575 O\n0.866393 0.375864 0.865169 O\n0.420547 0.420548 0.829453 O\n0.800476 0.800477 0.449524 O\n0.473111 0.762905 0.793542 O\n0.529558 0.206459 0.237095 O\n0.134831 0.607425 0.133607 O\n0.550476 0.550476 0.199524 O\n0.170547 0.170547 0.579453 O\n0.206458 0.529559 0.526889 O\n0.929962 0.929963 0.820038 O\n0.607425 0.134832 0.624136 O\n0.179962 0.179962 0.070038 O\n",
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{
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"created_at": "2022-09-04T14:38:40.790075Z",
"updated_at": "2022-09-04T14:38:40.790107Z",
"structure_string": "Zn1 Cr4 Cd1 Se8\n1.0\n6.552737 0.000000 3.783224\n2.184245 6.177979 3.783224\n0.000000 0.000000 7.566449\nZn Cr Cd Se\n1 4 1 8\ndirect\n0.500001 0.500000 0.499999 Zn\n0.623879 0.125374 0.125374 Cr\n0.125375 0.623878 0.125374 Cr\n0.125374 0.125374 0.623878 Cr\n0.125374 0.125374 0.125374 Cr\n0.750001 0.750000 0.749999 Cd\n0.329885 0.890038 0.890037 Se\n0.890039 0.329884 0.890037 Se\n0.890039 0.890038 0.329883 Se\n0.890039 0.890038 0.890037 Se\n0.906073 0.364642 0.364641 Se\n0.364643 0.906072 0.364641 Se\n0.364643 0.364642 0.906072 Se\n0.364643 0.364642 0.364642 Se\n",
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{
"id": "jvasp-28737",
"created_at": "2022-09-04T14:37:44.763471Z",
"updated_at": "2022-09-04T14:37:44.763492Z",
"structure_string": "Mo3 W1 Se2 S6\n1.0\n3.223418 0.000000 0.000000\n-1.611709 2.791587 -0.000004\n0.000000 -0.000081 34.042421\nMo W Se S\n3 1 2 6\ndirect\n0.333306 0.666613 0.093382 Mo\n0.333337 0.666674 0.471944 Mo\n0.666678 0.333354 0.282679 Mo\n0.666683 0.333365 0.654908 W\n0.333347 0.666693 0.332935 Se\n0.333337 0.666675 0.232425 Se\n0.333345 0.666690 0.700842 S\n0.666643 0.333284 0.047700 S\n0.666672 0.333343 0.426207 S\n0.666640 0.333280 0.139124 S\n0.666672 0.333342 0.517660 S\n0.333347 0.666694 0.608940 S\n",
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{
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"created_at": "2022-09-04T14:37:00.460885Z",
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"structure_string": "Li4 Co8 O4 F12\n1.0\n0.000000 6.111826 -0.000236\n5.854989 0.000000 0.000000\n0.000000 -0.000361 -8.560499\nLi Co O F\n4 8 4 12\ndirect\n0.027184 0.000000 0.976134 Li\n0.989247 0.500000 0.763976 Li\n0.489246 0.500000 0.486029 Li\n0.527184 0.000000 0.273870 Li\n0.503399 0.258163 0.884671 Co\n0.503399 0.741837 0.884671 Co\n0.771283 0.000000 0.610695 Co\n0.271280 0.000000 0.639310 Co\n0.003398 0.741839 0.365334 Co\n0.003398 0.258161 0.365334 Co\n0.707332 0.500000 0.096680 Co\n0.207335 0.500000 0.153323 Co\n0.805466 0.000000 0.388168 O\n0.217292 0.500000 0.376834 O\n0.717291 0.500000 0.873172 O\n0.305465 0.000000 0.861835 O\n0.763056 0.000000 0.853251 F\n0.235406 0.500000 0.908309 F\n0.021737 0.754407 0.629419 F\n0.021737 0.245593 0.629419 F\n0.521738 0.245595 0.620585 F\n0.521738 0.754405 0.620585 F\n0.735406 0.500000 0.341696 F\n0.263055 0.000000 0.396754 F\n0.466738 0.747912 0.137096 F\n0.466738 0.252088 0.137096 F\n0.966737 0.252087 0.112909 F\n0.966737 0.747913 0.112909 F\n",
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"structure_string": "Li3 V6 O3 F15\n1.0\n5.452978 -0.015795 -0.009259\n-0.637188 7.473283 0.009925\n-2.329105 -3.678548 7.518906\nLi V O F\n3 6 3 15\ndirect\n0.414170 0.277415 0.993061 Li\n0.901207 0.533430 0.649835 Li\n0.439865 0.790520 0.017446 Li\n0.646844 0.670781 0.325148 V\n0.667280 0.173670 0.344688 V\n0.019186 0.506315 0.014099 V\n0.357673 0.332889 0.656800 V\n0.006585 0.998493 0.989409 V\n0.326776 0.851634 0.672568 V\n0.228377 0.984855 0.863955 O\n0.571981 0.320538 0.531067 O\n0.365770 0.616834 0.133146 O\n0.304234 0.010164 0.190222 F\n0.718476 0.961427 0.422640 F\n0.747502 0.990611 0.120515 F\n0.621248 0.366089 0.233268 F\n0.947638 0.696233 0.538895 F\n0.424867 0.668704 0.472428 F\n0.626695 0.370574 0.885714 F\n0.037043 0.320922 0.473366 F\n0.374765 0.633986 0.766912 F\n0.945488 0.692262 0.896311 F\n0.278164 0.042008 0.572171 F\n0.061105 0.291285 0.093026 F\n0.103174 0.335663 0.796634 F\n0.699035 0.976366 0.794871 F\n0.906695 0.677518 0.208504 F\n",
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{
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"created_at": "2022-09-04T14:36:50.618763Z",
"updated_at": "2022-09-04T14:36:50.618784Z",
"structure_string": "Rb2 Al1 Au1 Br6\n1.0\n6.553319 -0.000000 3.783560\n2.184440 6.178528 3.783560\n0.000000 -0.000000 7.567121\nRb Al Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Au\n0.762762 0.237238 0.237238 Br\n0.237238 0.237238 0.762762 Br\n0.237238 0.762762 0.762762 Br\n0.237238 0.762762 0.237238 Br\n0.762762 0.237238 0.762762 Br\n0.762762 0.762762 0.237238 Br\n",
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},
{
"id": "jvasp-85446",
"created_at": "2022-09-04T14:36:16.408132Z",
"updated_at": "2022-09-04T14:36:16.408153Z",
"structure_string": "Eu2 Mg6 Ge6\n1.0\n4.313592 -0.000000 -0.632238\n0.000000 4.488899 0.000000\n0.113637 -0.000000 15.806697\nEu Mg Ge\n2 6 6\ndirect\n0.949097 0.250000 0.898194 Eu\n0.050903 0.750000 0.101806 Eu\n0.147622 0.250000 0.295245 Mg\n0.353444 0.250000 0.706887 Mg\n0.852378 0.750000 0.704756 Mg\n0.750366 0.750000 0.500732 Mg\n0.646556 0.750000 0.293113 Mg\n0.249635 0.250000 0.499268 Mg\n0.518034 0.250000 0.036070 Ge\n0.596974 0.250000 0.193946 Ge\n0.801513 0.250000 0.603027 Ge\n0.481966 0.750000 0.963930 Ge\n0.198487 0.750000 0.396973 Ge\n0.403027 0.750000 0.806054 Ge\n",
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"formula_full": "Eu2 Mg6 Ge6",
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]
}