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{
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{
"id": "jvasp-119042",
"created_at": "2022-09-04T14:38:33.182310Z",
"updated_at": "2022-09-04T14:38:33.182342Z",
"structure_string": "Li2 Fe12 Ge10\n1.0\n4.941798 0.004905 0.850788\n2.393496 4.323490 0.850788\n0.023924 0.014117 14.638902\nLi Fe Ge\n2 12 10\ndirect\n0.088114 0.088115 0.735849 Li\n0.911887 0.911885 0.264151 Li\n0.546955 0.546955 0.860749 Fe\n0.453045 0.453044 0.139252 Fe\n0.364693 0.364693 0.417969 Fe\n0.364702 0.852698 0.417950 Fe\n0.852699 0.364701 0.417950 Fe\n0.635308 0.635307 0.582032 Fe\n0.147302 0.635299 0.582050 Fe\n0.453042 0.954595 0.139252 Fe\n0.954596 0.453040 0.139252 Fe\n0.546959 0.045405 0.860748 Fe\n0.045405 0.546960 0.860748 Fe\n0.635299 0.147302 0.582050 Fe\n0.240474 0.240474 0.278475 Ge\n0.333480 0.333481 0.999567 Ge\n0.666520 0.666518 0.000433 Ge\n0.029885 0.029887 0.910333 Ge\n0.970115 0.970113 0.089667 Ge\n0.425450 0.425450 0.723748 Ge\n0.574550 0.574549 0.276253 Ge\n0.147512 0.147512 0.557429 Ge\n0.852489 0.852487 0.442571 Ge\n0.759526 0.759525 0.721525 Ge\n",
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{
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"structure_string": "Li1 La4 Ni1 O8\n1.0\n4.914294 0.000000 -2.024847\n0.000000 5.315423 0.000000\n0.001006 0.000000 6.978349\nLi La Ni O\n1 4 1 8\ndirect\n0.500000 0.000000 -0.000000 Li\n0.364106 0.500000 0.728212 La\n0.635894 0.500000 0.271788 La\n0.137176 0.000000 0.274353 La\n0.862824 0.000000 0.725647 La\n0.000000 0.500000 0.000000 Ni\n0.176523 0.500000 0.353046 O\n0.320248 0.000000 0.640496 O\n0.679752 0.000000 0.359504 O\n0.823477 0.500000 0.646954 O\n0.753029 0.744633 -0.000000 O\n0.246970 0.255367 -0.000000 O\n0.246970 0.744633 -0.000000 O\n0.753029 0.255367 -0.000000 O\n",
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{
"id": "jvasp-11983",
"created_at": "2022-09-04T14:36:52.820563Z",
"updated_at": "2022-09-04T14:36:52.820584Z",
"structure_string": "Mg4 Co8\n1.0\n4.797582 0.000000 0.000000\n-2.398791 4.154820 0.000000\n0.000000 0.000000 7.839263\nMg Co\n4 8\ndirect\n0.333335 0.666670 0.063587 Mg\n0.333335 0.666670 0.436412 Mg\n0.666666 0.333331 0.563586 Mg\n0.666666 0.333331 0.936412 Mg\n0.000000 0.000000 0.000000 Co\n0.341711 0.170866 0.250000 Co\n0.829155 0.170866 0.250000 Co\n0.829156 0.658311 0.250000 Co\n0.000000 0.000000 0.500000 Co\n0.170845 0.341690 0.750000 Co\n0.170846 0.829135 0.750000 Co\n0.658290 0.829135 0.750000 Co\n",
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"density": 6.04326228419259,
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"volume": 156.26073213161305,
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"formula_full": "Mg4 Co8",
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"spacegroup": 194
},
{
"id": "jvasp-99256",
"created_at": "2022-09-04T14:35:56.105717Z",
"updated_at": "2022-09-04T14:35:56.105738Z",
"structure_string": "Th2 Ge2 O8\n1.0\n4.811492 0.000000 -1.957588\n-0.796459 4.745114 -1.957588\n-0.013828 -0.016342 6.857811\nTh Ge O\n2 2 8\ndirect\n0.375000 0.125000 0.750000 Th\n0.624999 0.874999 0.249999 Th\n0.874999 0.625000 0.749999 Ge\n0.125000 0.375000 0.250000 Ge\n0.945779 0.289702 0.591089 O\n0.301386 0.445780 0.091090 O\n0.789702 0.145310 0.091090 O\n0.645309 0.801386 0.591089 O\n0.354690 0.198613 0.408910 O\n0.210297 0.854690 0.908909 O\n0.698613 0.554220 0.908909 O\n0.054219 0.710297 0.408910 O\n",
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],
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"volume": 156.2633667858482,
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"formula_full": "Th2 Ge2 O8",
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"formula_anonymous": "ABC4",
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{
"id": "jvasp-3072",
"created_at": "2022-09-04T14:37:02.766280Z",
"updated_at": "2022-09-04T14:37:02.766302Z",
"structure_string": "Li2 Be2 P2\n1.0\n3.612461 0.000000 0.000000\n0.000000 3.612461 0.000000\n0.000000 0.000000 5.987335\nLi Be P\n2 2 2\ndirect\n0.500000 0.000000 0.354968 Li\n0.000000 0.500000 0.645033 Li\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Be\n0.500000 0.000000 0.781136 P\n0.000000 0.500000 0.218865 P\n",
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"volume": 78.13397019888087,
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{
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"created_at": "2022-09-04T14:37:47.609269Z",
"updated_at": "2022-09-04T14:37:47.609288Z",
"structure_string": "Cr1 Si1 Ru2\n1.0\n-0.000000 2.964196 2.964196\n2.964196 0.000000 2.964196\n2.964196 2.964196 0.000000\nCr Si Ru\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Cr\n0.750000 0.750000 0.750000 Si\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500001 0.500001 Ru\n",
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{
"id": "jvasp-50346",
"created_at": "2022-09-04T14:36:07.343178Z",
"updated_at": "2022-09-04T14:36:07.343199Z",
"structure_string": "Zr8 N8 O4\n1.0\n5.494018 -0.001864 0.001321\n2.712880 4.842292 -0.003137\n2.670863 1.449495 9.787792\nZr N O\n8 8 4\ndirect\n0.695246 0.687595 0.961049 Zr\n0.829547 0.815557 0.537942 Zr\n0.415181 0.442878 0.712198 Zr\n0.920978 0.952518 0.211934 Zr\n0.087479 0.067579 0.788509 Zr\n0.563786 0.578759 0.286849 Zr\n0.197778 0.169698 0.463516 Zr\n0.322201 0.308814 0.037638 Zr\n0.921575 0.326461 0.120209 N\n0.575582 0.173798 0.369004 N\n0.621497 0.918236 0.124832 N\n0.167357 0.868370 0.376377 N\n0.416572 0.830451 0.621256 N\n0.386528 0.074282 0.874381 N\n0.087353 0.675895 0.873840 N\n0.112371 0.425224 0.628414 N\n0.868458 0.562621 0.381262 O\n0.680307 0.374883 0.875415 O\n0.812611 0.127127 0.626394 O\n0.317596 0.619248 0.128974 O\n",
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{
"id": "jvasp-35205",
"created_at": "2022-09-04T14:38:07.925552Z",
"updated_at": "2022-09-04T14:38:07.925574Z",
"structure_string": "Si2 Ge2 N4 O2\n1.0\n-0.232261 0.000000 5.025449\n2.825295 4.578126 0.106201\n-2.825295 4.578126 -0.106201\nSi Ge N O\n2 2 4 2\ndirect\n0.408785 0.012969 0.332920 Si\n0.408785 0.667081 0.987032 Si\n0.913651 0.325654 0.029366 Ge\n0.913651 0.970635 0.674347 Ge\n0.748400 0.659520 0.942882 N\n0.748400 0.057119 0.340481 N\n0.268993 0.334813 0.114992 N\n0.268993 0.885009 0.665188 N\n0.857027 0.267946 0.732055 O\n0.331315 0.799960 0.200041 O\n",
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{
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"created_at": "2022-09-04T14:38:43.034712Z",
"updated_at": "2022-09-04T14:38:43.034738Z",
"structure_string": "Ca2 Zr1 O3\n1.0\n0.000000 7.102644 2.345289\n2.345412 0.000000 2.345289\n2.345412 7.102644 0.000000\nCa Zr O\n2 1 3\ndirect\n0.900027 0.569634 0.430366 Ca\n0.569635 0.900027 0.099973 Ca\n0.234871 0.234871 0.765129 Zr\n0.397487 0.072185 0.927814 O\n0.072186 0.397486 0.602513 O\n0.734885 0.734885 0.265115 O\n",
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{
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"created_at": "2022-09-04T14:38:43.220977Z",
"updated_at": "2022-09-04T14:38:43.220992Z",
"structure_string": "Bi2 Pd4 O8\n1.0\n5.663957 -0.015924 -0.584492\n-2.525392 4.992985 -2.566015\n-0.009649 0.005003 6.454458\nBi Pd O\n2 4 8\ndirect\n0.861937 0.242846 0.641683 Bi\n0.138064 0.757155 0.358319 Bi\n0.000000 0.000000 0.000000 Pd\n0.500001 0.500001 0.000001 Pd\n0.500001 0.500001 0.500001 Pd\n0.500000 0.000000 0.000000 Pd\n0.646950 0.394294 0.228567 O\n0.353051 0.605707 0.771435 O\n0.842137 0.858595 0.642349 O\n0.157865 0.141406 0.357653 O\n0.521670 0.874255 0.247483 O\n0.478331 0.125746 0.752519 O\n0.878792 0.647255 0.988563 O\n0.121209 0.352746 0.011439 O\n",
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{
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"created_at": "2022-09-04T14:36:51.093165Z",
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"structure_string": "Y1 Sc1 N2\n1.0\n3.188308 0.001519 4.797723\n1.449913 2.839553 4.797723\n0.002479 0.001519 5.760507\nY Sc N\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.254822 0.254822 0.254822 N\n0.745178 0.745178 0.745178 N\n",
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{
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"created_at": "2022-09-04T14:37:04.789291Z",
"updated_at": "2022-09-04T14:37:04.789307Z",
"structure_string": "Ba4 Cr4 O12\n1.0\n2.844886 -4.927488 0.000000\n2.844886 4.927488 -0.000000\n0.000000 -0.000000 9.290657\nBa Cr O\n4 4 12\ndirect\n0.666668 0.333334 0.750000 Ba\n0.333334 0.666668 0.250000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.333334 0.666668 0.888291 Cr\n0.666668 0.333334 0.388291 Cr\n0.666668 0.333334 0.111709 Cr\n0.333334 0.666668 0.611710 Cr\n0.500001 0.500001 0.500000 O\n0.500000 0.000000 0.000000 O\n0.500001 0.500001 0.000000 O\n0.500000 0.000000 0.500000 O\n0.372371 0.186185 0.250000 O\n0.813816 0.627631 0.250000 O\n0.186186 0.813816 0.750000 O\n0.813816 0.186186 0.250000 O\n0.000000 0.500000 0.500000 O\n0.627631 0.813816 0.750000 O\n0.186185 0.372371 0.750000 O\n0.000000 0.500000 0.000000 O\n",
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"formula_full": "Ba4 Cr4 O12",
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}
]
}