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{
"id": "jvasp-44383",
"created_at": "2022-09-04T14:38:12.635555Z",
"updated_at": "2022-09-04T14:38:12.635573Z",
"structure_string": "Li2 Ni1 P4 O12\n1.0\n5.102090 0.189836 0.238407\n-2.265140 6.464248 0.182644\n-0.868523 -2.756539 6.462748\nLi Ni P O\n2 1 4 12\ndirect\n0.665048 0.726455 0.569896 Li\n0.334953 0.273546 0.430104 Li\n0.000000 0.000000 0.000000 Ni\n0.341565 0.795427 0.208670 P\n0.860887 0.420194 0.228114 P\n0.139114 0.579807 0.771887 P\n0.658436 0.204574 0.791330 P\n0.285465 0.995334 0.186212 O\n0.934873 0.339811 0.735298 O\n0.029415 0.266259 0.199312 O\n0.696090 0.438294 0.390093 O\n0.303911 0.561707 0.609907 O\n0.714535 0.004667 0.813788 O\n0.065128 0.660189 0.264702 O\n0.660602 0.360293 0.014488 O\n0.339399 0.639708 0.985512 O\n0.598516 0.833454 0.348683 O\n-0.029414 0.733741 0.800687 O\n0.401484 0.166547 0.651317 O\n",
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{
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"structure_string": "Rh1 O2 F6\n1.0\n4.990533 0.001953 -0.027672\n-0.942168 5.007841 -0.042258\n-1.118197 -0.362034 5.032665\nRh O F\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Rh\n0.409539 0.547020 0.530816 O\n0.590460 0.452980 0.469185 O\n0.805603 0.670815 0.072911 F\n0.664351 0.069635 0.796509 F\n0.335647 0.930365 0.203491 F\n0.062290 0.832751 0.697429 F\n0.937709 0.167249 0.302572 F\n0.194395 0.329185 0.927090 F\n",
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"formula_full": "Rh1 O2 F6",
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"formula_anonymous": "AB2C6",
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{
"id": "jvasp-52422",
"created_at": "2022-09-04T14:38:12.830278Z",
"updated_at": "2022-09-04T14:38:12.830301Z",
"structure_string": "V2 Cu1 O6\n1.0\n-3.575645 -0.024492 0.005359\n1.582334 4.636278 0.059063\n-0.360741 -2.257119 -6.081537\nV Cu O\n2 1 6\ndirect\n0.828569 0.621399 0.349117 V\n0.171431 0.378602 0.650883 V\n0.000000 0.000000 0.000000 Cu\n0.979334 0.948173 0.280157 O\n0.020666 0.051828 0.719844 O\n0.724303 0.314991 0.109084 O\n0.275697 0.685010 0.890917 O\n0.686416 0.385876 0.568348 O\n0.313584 0.614125 0.431653 O\n",
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"density_atomic": 0.08991387969657604,
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{
"id": "jvasp-43719",
"created_at": "2022-09-04T14:38:12.847728Z",
"updated_at": "2022-09-04T14:38:12.847741Z",
"structure_string": "Mn6 O8 F4\n1.0\n5.416547 -0.053307 0.034853\n1.299749 5.269911 0.028314\n1.933524 1.436824 6.434335\nMn O F\n6 8 4\ndirect\n0.500001 0.500000 -0.000001 Mn\n0.189874 0.140170 0.832106 Mn\n0.500000 0.499999 0.499999 Mn\n0.197367 0.158106 0.321113 Mn\n0.802634 0.841893 0.678885 Mn\n0.810127 0.859829 0.167892 Mn\n0.536225 0.147751 0.158952 O\n0.463776 0.852248 0.841046 O\n0.288324 0.244911 0.537657 O\n0.588488 0.615289 0.204073 O\n0.070286 0.067243 0.128247 O\n0.411513 0.384710 0.795926 O\n0.711677 0.755088 0.462341 O\n0.929715 0.932756 0.871751 O\n0.831164 0.212607 0.484040 F\n0.898333 0.433898 0.831134 F\n0.168837 0.787392 0.515958 F\n0.101668 0.566101 0.168865 F\n",
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{
"id": "jvasp-12045",
"created_at": "2022-09-04T14:38:13.094719Z",
"updated_at": "2022-09-04T14:38:13.094739Z",
"structure_string": "Mg3 Si4 H2 O12\n1.0\n2.611166 4.617393 -0.496358\n-2.643262 4.623501 0.385070\n-0.116415 -0.020447 9.430298\nMg Si H O\n3 4 2 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666650 0.666868 0.000225 Mg\n0.333349 0.333131 0.999775 Mg\n0.236081 0.754676 0.704474 Si\n0.763918 0.245324 0.295526 Si\n0.901962 0.421834 0.704472 Si\n0.098037 0.578165 0.295528 Si\n0.595993 0.065607 0.780919 H\n0.404007 0.934393 0.219081 H\n0.450810 0.360092 0.355701 O\n0.549189 0.639907 0.644299 O\n0.984602 0.894447 0.353276 O\n0.015397 0.105552 0.646724 O\n0.915573 0.428898 0.353444 O\n0.704990 0.298532 0.118841 O\n0.040516 0.630421 0.118808 O\n0.959483 0.369578 0.881192 O\n0.629355 0.033801 0.885839 O\n0.295009 0.701467 0.881159 O\n0.084426 0.571101 0.646556 O\n0.370644 0.966198 0.114161 O\n",
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],
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"formula_full": "Mg3 Si4 H2 O12",
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{
"id": "jvasp-35199",
"created_at": "2022-09-04T14:38:13.200983Z",
"updated_at": "2022-09-04T14:38:13.200995Z",
"structure_string": "Sr3 Ge2 B6 O16\n1.0\n-5.037072 0.012261 -0.002423\n-0.043006 -7.355251 -0.035900\n1.893656 1.958266 8.097154\nSr Ge B O\n3 2 6 16\ndirect\n0.096795 0.094724 0.741665 Sr\n0.903205 0.905275 0.258335 Sr\n-0.000000 0.500000 0.500000 Sr\n0.700652 0.313062 0.052289 Ge\n0.299348 0.686938 0.947711 Ge\n0.730371 0.760076 0.804771 B\n0.269629 0.239923 0.195229 B\n0.539636 0.409915 0.739546 B\n0.540967 0.186796 0.459396 B\n0.459033 0.813204 0.540603 B\n0.460363 0.590085 0.260453 B\n0.264025 0.682431 0.147852 O\n0.029728 0.810468 0.858135 O\n0.970272 0.189531 0.141865 O\n0.669542 0.566654 0.704390 O\n0.330458 0.433346 0.295610 O\n0.735975 0.317568 0.852148 O\n0.293064 0.462851 0.809325 O\n0.186075 0.822180 0.512658 O\n0.410549 0.271413 0.583975 O\n0.589451 0.728586 0.416025 O\n0.813925 0.177820 0.487342 O\n0.382467 0.202712 0.044178 O\n0.376770 0.108814 0.301190 O\n0.623229 0.891186 0.698810 O\n0.706936 0.537148 0.190675 O\n0.617533 0.797287 0.955822 O\n",
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"formula_full": "Sr3 Ge2 B6 O16",
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{
"id": "jvasp-12807",
"created_at": "2022-09-04T14:38:13.997305Z",
"updated_at": "2022-09-04T14:38:13.997316Z",
"structure_string": "Rb8 In4 S10\n1.0\n7.074328 -0.044914 2.594368\n-0.256271 8.948517 2.749740\n-0.079995 -0.037857 10.933792\nRb In S\n8 4 10\ndirect\n0.766610 0.473666 0.664058 Rb\n0.233391 0.526335 0.335942 Rb\n0.506320 0.790639 0.912057 Rb\n0.459110 0.816256 0.452509 Rb\n0.540891 0.183745 0.547491 Rb\n0.880101 0.818848 0.090111 Rb\n0.119900 0.181153 0.909889 Rb\n0.493682 0.209362 0.087943 Rb\n0.031216 -0.007070 0.341114 In\n0.123286 0.593134 0.827517 In\n0.876715 0.406866 0.172482 In\n0.968785 0.007071 0.658886 In\n0.729906 0.521068 0.351975 S\n0.735873 0.113519 0.819468 S\n0.270095 0.478933 0.648025 S\n0.219006 0.479573 0.038460 S\n0.178648 0.158553 0.429102 S\n0.821354 0.841448 0.570898 S\n0.199490 0.870668 0.768017 S\n0.800511 0.129332 0.231983 S\n0.780995 0.520428 0.961540 S\n0.264128 0.886482 0.180531 S\n",
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{
"id": "jvasp-30715",
"created_at": "2022-09-04T14:38:14.033292Z",
"updated_at": "2022-09-04T14:38:14.033301Z",
"structure_string": "Sn1 W2 O8\n1.0\n4.330616 -0.126023 -2.472383\n-0.958346 5.818085 -2.073628\n-0.506634 0.035829 6.388453\nSn W O\n1 2 8\ndirect\n0.124695 0.223238 0.099691 Sn\n0.915405 0.426073 0.632890 W\n0.333992 0.020406 0.566497 W\n0.201155 0.683097 0.831354 O\n0.538016 0.492206 0.372862 O\n0.205754 0.193039 0.801500 O\n0.452430 0.055038 0.341840 O\n0.711378 0.954270 0.826522 O\n0.048236 0.763382 0.368031 O\n0.043639 0.253442 0.397885 O\n0.796965 0.391439 0.857543 O\n",
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{
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"created_at": "2022-09-04T14:38:14.032926Z",
"updated_at": "2022-09-04T14:38:14.032946Z",
"structure_string": "Ti1 W2 O8\n1.0\n4.232853 -0.155820 -2.438879\n-0.971162 6.018139 -1.977573\n-0.576057 0.025755 6.128545\nTi W O\n1 2 8\ndirect\n0.124697 0.223239 0.099693 Ti\n0.915306 0.418630 0.632205 W\n0.334088 0.027852 0.567181 W\n0.215489 0.666526 0.839655 O\n0.520573 0.482734 0.363021 O\n0.209443 0.187383 0.813655 O\n0.449803 0.064428 0.330532 O\n0.728814 0.963742 0.836362 O\n0.033898 0.779959 0.359731 O\n0.039957 0.259098 0.385734 O\n0.799589 0.382044 0.868852 O\n",
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{
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"created_at": "2022-09-04T14:38:14.073413Z",
"updated_at": "2022-09-04T14:38:14.073422Z",
"structure_string": "Ta2 Ag1 F12\n1.0\n-5.084652 0.034045 -0.017270\n2.398739 4.964710 -0.011122\n-0.320954 -2.273994 -8.692478\nTa Ag F\n2 1 12\ndirect\n0.768542 0.522862 0.276944 Ta\n0.231457 0.477138 0.723056 Ta\n0.000000 0.000000 0.000000 Ag\n0.828977 0.252178 0.726563 F\n0.171021 0.747822 0.273437 F\n0.200010 0.726507 0.924777 F\n0.709318 0.750217 0.452395 F\n0.290680 0.249783 0.547605 F\n0.815006 0.279005 0.375228 F\n0.184992 0.720995 0.624772 F\n0.355267 0.303511 0.224386 F\n0.644732 0.696489 0.775614 F\n0.719519 0.738036 0.134901 F\n0.280480 0.261964 0.865099 F\n0.799988 0.273493 0.075223 F\n",
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{
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"created_at": "2022-09-04T14:38:14.088338Z",
"updated_at": "2022-09-04T14:38:14.088363Z",
"structure_string": "Y4 Si2 C2 O14\n1.0\n6.500488 -0.004220 0.011294\n-0.311998 6.610234 -0.004002\n-2.969164 -0.785802 5.925357\nY Si C O\n4 2 2 14\ndirect\n0.256512 0.668500 0.188368 Y\n0.251117 0.914203 0.701464 Y\n0.743488 0.331499 0.811632 Y\n0.748884 0.085796 0.298536 Y\n0.262921 0.158601 0.241201 Si\n0.737080 0.841399 0.758800 Si\n0.804903 0.588866 0.267009 C\n0.195098 0.411134 0.732991 C\n0.873447 0.666753 0.907971 O\n0.733905 0.402263 0.165465 O\n0.887575 0.967154 0.658804 O\n0.126553 0.333247 0.092029 O\n0.331875 0.983769 0.087716 O\n0.977368 0.353539 0.621627 O\n0.266095 0.597737 0.834535 O\n0.478694 0.751146 0.561448 O\n0.022633 0.646460 0.378373 O\n0.656017 0.715838 0.250401 O\n0.343984 0.284162 0.749600 O\n0.112425 0.032845 0.341197 O\n0.668125 0.016231 0.912285 O\n0.521307 0.248853 0.438552 O\n",
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{
"id": "jvasp-44760",
"created_at": "2022-09-04T14:38:14.170884Z",
"updated_at": "2022-09-04T14:38:14.170894Z",
"structure_string": "Te3 W1 O12\n1.0\n5.011208 0.000700 0.001167\n0.001522 5.286336 0.035424\n0.006951 0.490644 7.266351\nTe W O\n3 1 12\ndirect\n-0.000008 0.006855 0.503421 Te\n0.500007 0.506839 0.003425 Te\n0.499997 0.506850 0.503425 Te\n0.000005 0.006839 0.003425 W\n0.679829 0.187621 0.575108 O\n0.875328 0.004582 0.253186 O\n0.687718 0.821087 0.943397 O\n0.819852 0.687422 0.575413 O\n0.187455 0.694860 0.065835 O\n0.641279 0.505681 0.253672 O\n0.358722 0.508026 0.753179 O\n0.812563 0.318836 0.941005 O\n0.180134 0.326290 0.431441 O\n0.312289 0.192601 0.063460 O\n0.124661 0.009117 0.753660 O\n0.320167 0.826090 0.431745 O\n",
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"formula_full": "Te3 W1 O12",
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}
]
}