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{
"id": "jvasp-40662",
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"structure_string": "Li4 Mn4 P4 O16\n1.0\n0.000000 5.257952 0.091964\n6.102117 0.000000 0.000000\n0.000000 -4.462727 -9.510393\nLi Mn P O\n4 4 4 16\ndirect\n0.094198 0.359091 -0.071753 Li\n0.905802 0.859091 0.571753 Li\n0.094197 0.140910 0.428247 Li\n0.905802 0.640910 0.071753 Li\n0.552588 0.389825 0.331054 Mn\n0.447412 0.889825 0.168947 Mn\n0.552587 0.110176 0.831054 Mn\n0.447411 0.610176 0.668946 Mn\n0.105309 0.651302 0.366310 P\n0.894690 0.151302 0.133690 P\n0.105309 0.848698 0.866310 P\n0.894690 0.348698 0.633690 P\n0.215176 0.437528 0.452658 O\n0.190776 0.839632 0.476106 O\n0.809224 0.339632 0.023894 O\n0.784824 0.937528 0.047343 O\n0.778827 0.646097 0.272224 O\n0.752560 0.165158 0.236924 O\n0.247439 0.834843 0.763076 O\n0.247440 0.665158 0.263076 O\n0.215176 0.062472 0.952657 O\n0.190776 0.660369 -0.023894 O\n0.809223 0.160369 0.523894 O\n0.784823 0.562472 0.547343 O\n0.752559 0.334842 0.736924 O\n0.221172 0.146097 0.227777 O\n0.221172 0.353903 0.727776 O\n0.778827 0.853903 0.772224 O\n",
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{
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"structure_string": "Sr6 Li2 Ir2 O12\n1.0\n6.714188 -0.006393 -0.257711\n-0.267547 6.708858 -0.257711\n-0.006149 -0.006393 6.719128\nSr Li Ir O\n6 2 2 12\ndirect\n0.890077 0.250001 0.609924 Sr\n0.390076 0.109924 0.750000 Sr\n0.750000 0.390077 0.109924 Sr\n0.109923 0.750000 0.390077 Sr\n0.250000 0.609924 0.890077 Sr\n0.609923 0.890077 0.250000 Sr\n0.250000 0.250000 0.250000 Li\n0.750000 0.750001 0.750000 Li\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500001 0.500000 Ir\n0.217404 0.414216 0.546590 O\n0.085785 0.282596 0.953410 O\n0.953410 0.085785 0.282596 O\n0.546590 0.217405 0.414215 O\n0.585785 0.453411 0.782596 O\n0.782596 0.585786 0.453410 O\n0.717404 0.046591 0.914216 O\n0.914215 0.717405 0.046590 O\n0.046590 0.914216 0.717405 O\n0.453410 0.782596 0.585785 O\n0.414215 0.546591 0.217405 O\n0.282595 0.953410 0.085785 O\n",
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{
"id": "jvasp-56518",
"created_at": "2022-09-04T14:37:10.111066Z",
"updated_at": "2022-09-04T14:37:10.111083Z",
"structure_string": "Ta8 Co16\n1.0\n2.375088 -4.113773 -0.000000\n2.375088 4.113773 -0.000000\n-0.000000 -0.000000 15.486246\nTa Co\n8 16\ndirect\n0.333334 0.666667 0.155563 Ta\n0.000000 0.000000 0.907851 Ta\n0.666667 0.333334 0.844437 Ta\n0.000000 0.000000 0.092149 Ta\n0.000000 0.000000 0.407851 Ta\n0.000000 0.000000 0.592149 Ta\n0.666667 0.333334 0.655564 Ta\n0.333334 0.666667 0.344437 Ta\n0.000000 0.500000 0.500000 Co\n0.666667 0.333334 0.373766 Co\n0.500000 0.000000 0.000000 Co\n0.333334 0.666667 0.873766 Co\n0.164478 0.328955 0.750000 Co\n0.500000 0.500000 0.500000 Co\n0.671045 0.835523 0.750000 Co\n0.164478 0.835522 0.750000 Co\n0.835522 0.164478 0.250000 Co\n0.328955 0.164478 0.250000 Co\n0.333334 0.666667 0.626234 Co\n0.666667 0.333334 0.126234 Co\n0.835523 0.671045 0.250000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n",
"nsites": 24,
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"elements": [
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{
"id": "jvasp-119165",
"created_at": "2022-09-04T14:38:53.150753Z",
"updated_at": "2022-09-04T14:38:53.150778Z",
"structure_string": "Na1 Ti6 Se8\n1.0\n9.809399 0.000000 0.000000\n-4.904699 8.495189 0.000000\n-0.000000 -0.000000 3.631415\nNa Ti Se\n1 6 8\ndirect\n0.000000 0.000000 0.499999 Na\n0.128504 0.491887 0.749288 Ti\n0.508113 0.636618 0.749288 Ti\n0.363382 0.871496 0.749288 Ti\n0.871496 0.508113 0.250711 Ti\n0.491887 0.363382 0.250711 Ti\n0.636618 0.128504 0.250711 Ti\n0.666667 0.333333 0.750494 Se\n0.333333 0.666667 0.249505 Se\n0.295646 0.343451 0.751200 Se\n0.656549 0.952195 0.751200 Se\n0.047805 0.704354 0.751200 Se\n0.704354 0.656549 0.248798 Se\n0.343451 0.047805 0.248798 Se\n0.952195 0.295646 0.248798 Se\n",
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{
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"created_at": "2022-09-04T14:36:14.885264Z",
"updated_at": "2022-09-04T14:36:14.885282Z",
"structure_string": "K1 Ba4 Mn1\n1.0\n-0.000000 5.328633 5.328633\n5.328633 0.000000 5.328633\n5.328633 5.328633 0.000000\nK Ba Mn\n1 4 1\ndirect\n0.250000 0.250000 0.250000 K\n0.119193 0.626936 0.626936 Ba\n0.626936 0.626936 0.626936 Ba\n0.626936 0.119193 0.626936 Ba\n0.626936 0.626936 0.119193 Ba\n0.000000 0.000000 0.000000 Mn\n",
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{
"id": "jvasp-39526",
"created_at": "2022-09-04T14:37:41.034927Z",
"updated_at": "2022-09-04T14:37:41.034951Z",
"structure_string": "Si12 N8\n1.0\n6.713527 -0.000000 0.000000\n-0.000000 6.713527 -0.000000\n0.000000 -0.000000 6.713527\nSi N\n12 8\ndirect\n0.821627 0.821627 0.500000 Si\n0.178374 0.500000 0.178374 Si\n0.821627 0.500000 0.821627 Si\n0.821627 0.500000 0.178374 Si\n0.500000 0.821627 0.821627 Si\n0.500000 0.178374 0.178374 Si\n0.178374 0.500000 0.821627 Si\n0.500000 0.821627 0.178374 Si\n0.821627 0.178374 0.500000 Si\n0.178374 0.821627 0.500000 Si\n0.178374 0.178374 0.500000 Si\n0.500000 0.178374 0.821627 Si\n0.721131 0.278869 0.278869 N\n0.721132 0.721132 0.278869 N\n0.278869 0.278869 0.278869 N\n0.278869 0.721132 0.721132 N\n0.721132 0.278869 0.721132 N\n0.278869 0.278869 0.721131 N\n0.721131 0.721131 0.721131 N\n0.278869 0.721131 0.278869 N\n",
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"formula_full": "Si12 N8",
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{
"id": "jvasp-112649",
"created_at": "2022-09-04T14:38:41.608260Z",
"updated_at": "2022-09-04T14:38:41.608286Z",
"structure_string": "Re4 Mo2 Se8\n1.0\n6.712725 -0.011420 -0.433256\n-0.454499 6.697412 -0.397443\n-0.008808 0.000710 6.731486\nRe Mo Se\n4 2 8\ndirect\n0.546300 0.413580 0.237839 Re\n0.763746 0.455199 0.587586 Re\n0.584634 0.764333 0.452628 Re\n0.452771 0.586905 0.763947 Re\n0.234667 0.543294 0.412513 Mo\n0.412707 0.235601 0.547785 Mo\n0.369703 0.732913 0.122387 Se\n0.123354 0.369222 0.738139 Se\n0.739598 0.126555 0.369096 Se\n0.630628 0.269152 0.878421 Se\n0.872064 0.631415 0.266754 Se\n0.267874 0.873370 0.628011 Se\n0.214029 0.208040 0.207416 Se\n0.787925 0.790419 0.787483 Se\n",
"nsites": 14,
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{
"id": "jvasp-22415",
"created_at": "2022-09-04T14:37:11.885496Z",
"updated_at": "2022-09-04T14:37:11.885525Z",
"structure_string": "Sr6 Mg2 Ir2 O12\n1.0\n6.713100 0.009713 -0.271692\n-0.283302 6.707126 -0.271692\n0.009299 0.009713 6.718588\nSr Mg Ir O\n6 2 2 12\ndirect\n0.884453 0.249999 0.615547 Sr\n0.384453 0.115546 0.750000 Sr\n0.750000 0.384453 0.115547 Sr\n0.115547 0.750000 0.384454 Sr\n0.615547 0.884453 0.250001 Sr\n0.250000 0.615547 0.884454 Sr\n0.750000 0.750000 0.750001 Mg\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.095554 0.288520 0.963869 O\n0.788521 0.595553 0.463869 O\n0.536131 0.211479 0.404447 O\n0.404447 0.536131 0.211480 O\n0.211480 0.404446 0.536132 O\n0.711480 0.036130 0.904447 O\n0.904447 0.711479 0.036132 O\n0.036132 0.904447 0.711480 O\n0.463869 0.788520 0.595554 O\n0.595554 0.463868 0.788521 O\n0.963869 0.095553 0.288521 O\n0.288521 0.963869 0.095554 O\n",
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"density": 6.315645172436947,
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{
"id": "jvasp-100574",
"created_at": "2022-09-04T14:36:41.422740Z",
"updated_at": "2022-09-04T14:36:41.422753Z",
"structure_string": "K2 Tl1 Ga1 Cl6\n1.0\n6.525872 0.000000 3.767714\n2.175291 6.152652 3.767714\n0.000000 0.000000 7.535428\nK Tl Ga Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n0.776480 0.223519 0.223519 Cl\n0.223519 0.223519 0.776481 Cl\n0.223519 0.776480 0.776480 Cl\n0.223519 0.776480 0.223519 Cl\n0.776480 0.223519 0.776480 Cl\n0.776480 0.776480 0.223519 Cl\n",
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{
"id": "jvasp-116857",
"created_at": "2022-09-04T14:38:48.543909Z",
"updated_at": "2022-09-04T14:38:48.543927Z",
"structure_string": "Li4 Ni4 P4 O16\n1.0\n5.153806 -0.003352 -0.038404\n1.556284 7.321127 -0.440305\n-0.021774 -0.137452 8.024521\nLi Ni P O\n4 4 4 16\ndirect\n0.292979 0.185430 0.899278 Li\n0.310389 0.676477 0.576996 Li\n0.689611 0.323523 0.423004 Li\n0.707021 0.814571 0.100721 Li\n0.147181 0.943386 0.310694 Ni\n0.188060 0.458183 0.217285 Ni\n0.811940 0.541819 0.782715 Ni\n0.852819 0.056615 0.689306 Ni\n0.751642 0.718510 0.436027 P\n0.775265 0.212190 0.086013 P\n0.224736 0.787812 0.913987 P\n0.248359 0.281492 0.563973 P\n0.866997 0.648432 0.260191 O\n0.741131 0.554971 0.542511 O\n0.818019 0.036450 0.182417 O\n0.568673 0.361487 0.183150 O\n0.673884 0.173167 0.906576 O\n0.465909 0.825117 0.429550 O\n0.534091 0.174884 0.570449 O\n0.042562 0.279288 0.078919 O\n0.431328 0.638514 0.816849 O\n0.181981 0.963551 0.817582 O\n0.258869 0.445030 0.457489 O\n0.133003 0.351569 0.739808 O\n0.957437 0.720713 0.921081 O\n0.055050 0.163552 0.481738 O\n0.326116 0.826834 0.093424 O\n0.944950 0.836449 0.518262 O\n",
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"formula_full": "Li4 Ni4 P4 O16",
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},
{
"id": "jvasp-39489",
"created_at": "2022-09-04T14:37:50.737262Z",
"updated_at": "2022-09-04T14:37:50.737288Z",
"structure_string": "K4 Hf5 O12\n1.0\n2.899682 -5.022397 0.000000\n2.899682 5.022397 -0.000000\n-0.000000 0.000000 10.384149\nK Hf O\n4 5 12\ndirect\n0.000000 0.000000 0.676787 K\n0.000000 0.000000 0.323213 K\n0.666667 0.333333 0.886575 K\n0.333333 0.666667 0.113425 K\n0.666667 0.333333 0.523951 Hf\n0.333333 0.666667 0.476049 Hf\n0.000000 0.000000 0.000000 Hf\n0.666667 0.333333 0.216580 Hf\n0.333333 0.666667 0.783420 Hf\n0.509534 0.490465 0.377153 O\n0.490465 0.509534 0.622847 O\n0.490465 0.980930 0.622847 O\n0.019070 0.509534 0.622847 O\n0.329983 0.164992 0.121267 O\n0.164992 0.329983 0.878733 O\n0.835008 0.164992 0.121267 O\n0.164992 0.835008 0.878733 O\n0.509534 0.019070 0.377153 O\n0.670016 0.835008 0.878733 O\n0.835008 0.670016 0.121267 O\n0.980930 0.490465 0.377153 O\n",
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{
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"created_at": "2022-09-04T14:37:29.745297Z",
"updated_at": "2022-09-04T14:37:29.745320Z",
"structure_string": "Ca4 Al4 Si2 O14\n1.0\n7.666501 0.000000 0.000000\n0.000000 7.666501 -0.000000\n0.000000 0.000000 5.145971\nCa Al Si O\n4 4 2 14\ndirect\n0.844620 0.344620 0.485057 Ca\n0.155380 0.655380 0.485057 Ca\n0.655380 0.844620 0.514943 Ca\n0.344620 0.155380 0.514943 Ca\n0.644550 0.144551 0.026440 Al\n0.355449 0.855449 0.026440 Al\n0.855449 0.644550 0.973560 Al\n0.144551 0.355449 0.973560 Al\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.854823 0.645177 0.309887 O\n0.093757 0.150842 0.820049 O\n0.150842 0.906243 0.179951 O\n0.000000 0.500000 0.821192 O\n0.500000 0.000000 0.178808 O\n0.849158 0.093757 0.179951 O\n0.406243 0.650842 0.179951 O\n0.145177 0.354823 0.309887 O\n0.349158 0.406243 0.820049 O\n0.354823 0.854823 0.690113 O\n0.906243 0.849158 0.820049 O\n0.645177 0.145177 0.690113 O\n0.650842 0.593757 0.820049 O\n0.593757 0.349158 0.179951 O\n",
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}
]
}