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{
"id": "jvasp-48697",
"created_at": "2022-09-04T14:35:53.404642Z",
"updated_at": "2022-09-04T14:35:53.404662Z",
"structure_string": "Mn6 O8 F4\n1.0\n0.000000 5.473527 0.011785\n4.538518 0.000000 0.000000\n0.000000 -0.430945 -7.566175\nMn O F\n6 8 4\ndirect\n0.568421 0.532065 0.842404 Mn\n0.231356 0.491284 0.497194 Mn\n0.906650 0.492597 0.181271 Mn\n0.768643 0.991284 0.502806 Mn\n0.431578 0.032065 0.157596 Mn\n0.093349 0.992597 0.818729 Mn\n0.788610 0.805322 0.732624 O\n0.281630 0.692870 0.722465 O\n0.622312 0.696326 0.073225 O\n0.953035 0.692591 0.399656 O\n0.377688 0.196325 0.926775 O\n0.046964 0.192591 0.600344 O\n0.718369 0.192870 0.277535 O\n0.211389 0.305322 0.267376 O\n0.453563 0.802117 0.402309 F\n0.885845 0.294831 0.937351 F\n0.546437 0.302117 0.597691 F\n0.114155 0.794831 0.062649 F\n",
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{
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"structure_string": "Rb2 Pd3 S4\n1.0\n6.056576 -0.013619 -1.330118\n-3.369496 5.032626 -1.330058\n-0.028639 -0.053421 7.292227\nRb Pd S\n2 3 4\ndirect\n0.842515 0.842515 0.685030 Rb\n0.157486 0.157486 0.314970 Rb\n0.500000 -0.000000 -0.000000 Pd\n0.500000 0.500000 -0.000000 Pd\n-0.000000 0.500000 -0.000000 Pd\n0.214481 0.550076 0.764552 S\n0.449929 0.785524 0.235448 S\n0.550071 0.214477 0.764552 S\n0.785519 0.449924 0.235448 S\n",
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"volume": 221.07396888598467,
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"formula_full": "Rb2 Pd3 S4",
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{
"id": "jvasp-42726",
"created_at": "2022-09-04T14:35:58.043517Z",
"updated_at": "2022-09-04T14:35:58.043532Z",
"structure_string": "Mn6 O4 F8\n1.0\n5.635115 0.017362 -0.022964\n1.589077 5.488107 0.002178\n1.965535 1.460205 6.762554\nMn O F\n6 4 8\ndirect\n0.293304 0.332116 0.161103 Mn\n0.686392 0.639594 0.329586 Mn\n0.349787 0.354012 0.686028 Mn\n0.678476 0.663186 0.834452 Mn\n0.002707 0.023572 0.493807 Mn\n0.987445 -0.000847 0.999696 Mn\n0.967950 0.349481 0.327178 O\n0.591029 0.558609 0.626993 O\n0.775830 0.758889 0.038550 O\n0.209390 0.234326 0.966280 O\n0.306468 0.705631 0.989190 F\n0.386712 0.942794 0.337003 F\n0.041660 0.669207 0.662074 F\n0.098228 0.132681 0.694507 F\n0.409818 0.420660 0.369987 F\n0.917406 0.889053 0.301988 F\n0.633048 0.029555 0.668090 F\n0.664352 0.297491 0.013491 F\n",
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"density": 4.332300145249624,
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"formula_full": "Mn6 O4 F8",
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"formula_anonymous": "A2B3C4",
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"spacegroup": 1
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{
"id": "jvasp-86567",
"created_at": "2022-09-04T14:36:09.023007Z",
"updated_at": "2022-09-04T14:36:09.023029Z",
"structure_string": "K6 Pd4 O8\n1.0\n5.510877 -0.004765 0.000000\n-2.080308 5.103147 -0.000000\n0.000000 -0.000000 11.411202\nK Pd O\n6 4 8\ndirect\n0.353077 0.646924 0.568424 K\n0.646924 0.353077 0.068425 K\n0.283624 0.716377 0.250000 K\n0.646924 0.353077 0.431575 K\n0.716377 0.283625 0.750000 K\n0.353077 0.646924 0.931575 K\n0.000000 0.000000 0.500000 Pd\n0.922304 0.077698 0.250000 Pd\n0.077697 0.922304 0.750000 Pd\n0.000000 0.000000 0.000000 Pd\n0.130296 0.296853 0.115191 O\n0.130296 0.296853 0.384809 O\n0.703148 0.869706 0.384809 O\n0.296853 0.130296 0.615191 O\n0.703148 0.869706 0.115191 O\n0.869705 0.703149 0.615191 O\n0.296853 0.130296 0.884809 O\n0.869705 0.703149 0.884809 O\n",
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"elements": [
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"density_atomic": 0.05610937373817305,
"volume": 320.80201222695183,
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{
"id": "jvasp-101705",
"created_at": "2022-09-04T14:36:36.312694Z",
"updated_at": "2022-09-04T14:36:36.312722Z",
"structure_string": "Na2 Mn3 Te4\n1.0\n7.992843 0.032908 3.826497\n6.741026 4.294788 3.826497\n0.024061 0.007067 7.781267\nNa Mn Te\n2 3 4\ndirect\n0.237382 0.237383 0.767272 Na\n0.744631 0.744633 0.246269 Na\n0.573335 0.573337 0.770069 Mn\n0.940193 0.940195 0.709031 Mn\n0.447644 0.447645 0.237279 Mn\n0.869536 0.869538 0.458004 Te\n0.384428 0.384429 0.952326 Te\n0.117536 0.117537 0.536861 Te\n0.620519 0.620520 0.051893 Te\n",
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"formula_full": "Na2 Mn3 Te4",
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{
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"created_at": "2022-09-04T14:38:29.446201Z",
"updated_at": "2022-09-04T14:38:29.446226Z",
"structure_string": "Hf3 Cu4 Ge2\n1.0\n3.199854 -5.542310 0.000000\n3.199854 5.542310 -0.000000\n0.000000 0.000000 3.984320\nHf Cu Ge\n3 4 2\ndirect\n0.410537 0.410537 0.500000 Hf\n-0.000000 0.589462 0.500000 Hf\n0.589462 -0.000000 0.500000 Hf\n0.000000 0.000000 0.500000 Cu\n0.240422 -0.000000 0.000000 Cu\n-0.000000 0.240422 0.000000 Cu\n0.759577 0.759577 0.000000 Cu\n0.333332 0.666666 0.000000 Ge\n0.666666 0.333332 0.000000 Ge\n",
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"volume": 141.32050606459885,
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"formula_full": "Hf3 Cu4 Ge2",
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"spacegroup": 189
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{
"id": "jvasp-8261",
"created_at": "2022-09-04T14:37:09.178741Z",
"updated_at": "2022-09-04T14:37:09.178769Z",
"structure_string": "Ca3 Fe2 N4\n1.0\n4.828606 0.000638 -0.006284\n-0.000790 5.893702 -0.020202\n-2.407214 -2.929145 5.104746\nCa Fe N\n3 2 4\ndirect\n0.305394 0.333613 0.612511 Ca\n0.682248 0.710438 0.366243 Ca\n0.993812 0.287520 0.989363 Ca\n0.609439 0.117393 0.220629 Fe\n0.378171 0.886121 0.758092 Fe\n0.774309 0.221483 0.550348 N\n0.213329 0.660431 0.428394 N\n0.493824 0.781309 0.989389 N\n0.493797 0.239477 0.989332 N\n",
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"volume": 144.8978587371838,
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"formula_full": "Ca3 Fe2 N4",
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{
"id": "jvasp-18422",
"created_at": "2022-09-04T14:36:21.944615Z",
"updated_at": "2022-09-04T14:36:21.944644Z",
"structure_string": "Li3 Cu2 O4\n1.0\n2.728708 0.016324 -4.479346\n-0.329241 3.408865 -3.972644\n-0.052147 -0.023644 10.496863\nLi Cu O\n3 2 4\ndirect\n0.285271 0.785273 0.750001 Li\n0.283616 0.783617 0.250001 Li\n0.710658 0.210658 0.750000 Li\n0.005266 0.505268 0.750000 Cu\n0.998887 0.498886 0.250000 Cu\n0.342769 0.363008 0.986283 O\n0.635042 0.608403 0.983677 O\n0.641049 0.667692 0.516324 O\n0.390442 0.370206 0.513717 O\n",
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{
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"created_at": "2022-09-04T14:38:27.015636Z",
"updated_at": "2022-09-04T14:38:27.015665Z",
"structure_string": "Ca6 Al4 P8\n1.0\n7.999322 -0.000549 0.068983\n1.955449 7.756634 0.068983\n0.010573 0.008237 6.438178\nCa Al P\n6 4 8\ndirect\n0.751382 0.008515 0.972075 Ca\n0.991485 0.248617 0.527924 Ca\n0.248617 0.991484 0.027924 Ca\n0.008515 0.751382 0.472075 Ca\n0.599346 0.400653 0.250000 Ca\n0.400653 0.599346 0.750000 Ca\n0.827384 0.579759 0.909943 Al\n0.420240 0.172615 0.590056 Al\n0.579759 0.827384 0.409943 Al\n0.172615 0.420240 0.090056 Al\n0.431951 0.257418 0.938482 P\n0.716200 0.058283 0.476866 P\n0.941717 0.283800 0.023133 P\n0.283800 0.941717 0.523133 P\n0.058283 0.716200 0.976866 P\n0.568048 0.742582 0.061517 P\n0.257417 0.431952 0.438482 P\n0.742582 0.568048 0.561518 P\n",
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{
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"created_at": "2022-09-04T14:38:35.096536Z",
"updated_at": "2022-09-04T14:38:35.096561Z",
"structure_string": "Te8 Mo6 S4\n1.0\n-0.352536 -5.934318 -0.024114\n0.165872 0.056778 13.981298\n-4.963823 3.265983 -0.049983\nTe Mo S\n8 6 4\ndirect\n0.690928 0.882733 0.031770 Te\n0.674848 0.625809 0.015130 Te\n-0.007210 0.377537 0.317523 Te\n0.009827 0.614812 0.682406 Te\n0.356289 0.894127 0.367285 Te\n0.324496 0.365500 0.985979 Te\n0.307818 0.108996 0.964615 Te\n0.655078 0.377531 0.650290 Te\n0.317216 0.238013 0.327286 Mo\n0.681755 0.753696 0.672682 Mo\n0.668291 0.238995 0.976432 Mo\n0.033255 0.753630 0.373389 Mo\n0.965915 0.239867 0.624877 Mo\n0.332631 0.754603 0.024125 Mo\n0.646654 0.133500 0.637200 S\n0.343828 0.649645 0.349476 S\n0.977760 0.133338 0.303436 S\n0.020629 0.857673 0.696103 S\n",
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"updated_at": "2022-09-04T14:38:35.097133Z",
"structure_string": "Sr6 In4 P8\n1.0\n4.348030 0.000000 0.000000\n0.000000 6.834273 -0.000000\n0.000000 -0.000000 16.376944\nSr In P\n6 4 8\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.289872 0.801825 Sr\n0.500000 0.210128 0.301825 Sr\n0.500000 0.789872 0.698174 Sr\n0.000000 0.710128 0.198174 Sr\n0.000000 0.000000 0.000000 Sr\n0.500000 0.636439 0.913986 In\n0.000000 0.863560 0.413986 In\n0.500000 0.363560 0.086014 In\n0.000000 0.136439 0.586014 In\n0.500000 0.259960 0.667554 P\n0.500000 0.740040 0.332446 P\n0.500000 0.258516 0.931543 P\n0.000000 0.241483 0.431543 P\n0.000000 0.758516 0.568456 P\n0.500000 0.741483 0.068457 P\n0.000000 0.759959 0.832446 P\n0.000000 0.240040 0.167554 P\n",
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{
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"created_at": "2022-09-04T14:38:19.142119Z",
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"structure_string": "Ti4 Fe2 P3\n1.0\n6.196680 0.007563 0.000000\n-2.907828 5.472059 0.000000\n-0.000000 0.000000 3.469570\nTi Fe P\n4 2 3\ndirect\n0.409994 0.409994 0.500000 Ti\n0.576984 0.990742 0.500000 Ti\n0.990741 0.576984 0.500000 Ti\n0.759028 0.759028 -0.000000 Ti\n0.251436 0.003456 -0.000000 Fe\n0.003457 0.251436 -0.000000 Fe\n0.320068 0.662905 -0.000000 P\n0.662905 0.320068 -0.000000 P\n0.025285 0.025285 0.500000 P\n",
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}