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{
"id": "jvasp-44364",
"created_at": "2022-09-04T14:38:08.664517Z",
"updated_at": "2022-09-04T14:38:08.664540Z",
"structure_string": "Li3 Mn4 Ni1 O8\n1.0\n0.061187 3.149165 -5.002554\n1.781251 -2.597717 -5.002554\n-5.138691 1.592822 -2.428324\nLi Mn Ni O\n3 4 1 8\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.500000 -0.000001 0.499999 Li\n0.500000 0.499999 0.499999 Li\n-0.000001 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000001 -0.000000 Mn\n-0.000000 0.500000 0.000000 Mn\n0.500000 0.499999 -0.000000 Ni\n0.456974 0.250131 0.793157 O\n0.994553 0.264349 0.763408 O\n0.500941 0.757960 0.763408 O\n0.025641 0.750505 0.724862 O\n0.974358 0.249494 0.275136 O\n0.499059 0.242039 0.236591 O\n0.005446 0.735650 0.236591 O\n0.543025 0.749867 0.206842 O\n",
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{
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{
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"created_at": "2022-09-04T14:38:08.671902Z",
"updated_at": "2022-09-04T14:38:08.671920Z",
"structure_string": "Dy2 In2 Pt4\n1.0\n-2.287462 -3.961958 0.000000\n-2.287462 3.961958 -0.000000\n0.000000 0.000000 -9.040343\nDy In Pt\n2 2 4\ndirect\n0.666673 0.333326 0.750000 Dy\n0.333326 0.666673 0.250000 Dy\n0.000000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.666655 0.333344 0.092960 Pt\n0.333344 0.666655 0.907040 Pt\n0.333344 0.666655 0.592960 Pt\n0.666655 0.333344 0.407040 Pt\n",
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{
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"created_at": "2022-09-04T14:38:08.671910Z",
"updated_at": "2022-09-04T14:38:08.671935Z",
"structure_string": "Sn2 S4\n1.0\n1.854335 -3.211802 0.000000\n1.854335 3.211802 0.000000\n0.000000 0.000000 11.852183\nSn S\n2 4\ndirect\n0.666666 0.333332 0.374920 Sn\n0.333332 0.666666 0.874920 Sn\n0.333332 0.666666 0.249970 S\n0.666666 0.333332 0.749970 S\n0.000000 0.000000 0.000108 S\n0.000000 0.000000 0.500108 S\n",
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{
"id": "jvasp-44373",
"created_at": "2022-09-04T14:38:08.672899Z",
"updated_at": "2022-09-04T14:38:08.672915Z",
"structure_string": "Li4 Al2 Fe2 O8\n1.0\n4.996034 0.000808 0.000290\n-0.001063 5.413930 0.000275\n-0.004447 -0.000244 6.333841\nLi Al Fe O\n4 2 2 8\ndirect\n0.501132 0.668706 0.749779 Li\n0.001188 0.833014 0.502021 Li\n0.001153 0.330733 0.249786 Li\n0.501208 0.166421 0.002009 Li\n0.996080 0.832642 0.000313 Al\n0.496083 0.166793 0.500306 Al\n0.997844 0.333384 0.752614 Fe\n0.497836 0.666050 0.252612 Fe\n0.102662 0.146404 0.992684 O\n0.103685 0.668468 0.770807 O\n0.618920 0.317479 0.731891 O\n0.138410 0.178764 0.509341 O\n0.602653 0.853035 0.492678 O\n0.603689 0.330974 0.270796 O\n0.118913 0.681960 0.231901 O\n0.638405 0.820675 0.009337 O\n",
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"density_atomic": 0.09339309584656058,
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{
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"updated_at": "2022-09-04T14:38:08.688931Z",
"structure_string": "Zn2 Cu4 O8\n1.0\n4.858651 0.000000 -2.550854\n-1.339230 4.670433 -2.550853\n0.310037 0.411435 6.493134\nZn Cu O\n2 4 8\ndirect\n0.375000 0.624999 0.750000 Zn\n0.625000 0.375000 0.250000 Zn\n0.000000 -0.000000 0.500000 Cu\n-0.000000 0.500000 0.000000 Cu\n0.500000 -0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.749805 0.771777 0.499609 O\n0.772170 0.250195 0.000391 O\n0.228222 0.250195 0.000391 O\n0.250195 0.228221 0.500390 O\n0.250195 0.772169 0.500390 O\n0.227830 0.749803 0.999609 O\n0.749805 0.227829 0.499609 O\n0.771779 0.749803 0.999609 O\n",
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{
"id": "jvasp-28947",
"created_at": "2022-09-04T14:38:08.689394Z",
"updated_at": "2022-09-04T14:38:08.689411Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.348727 -0.000000 0.000002\n-1.674364 2.900075 0.000000\n0.000019 0.000015 37.947006\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.333357 0.666712 0.331846 Te\n0.333355 0.666708 0.231654 Te\n0.333317 0.666631 0.469707 Mo\n0.666688 0.333374 0.281759 Mo\n0.333315 0.666627 0.093937 W\n0.666687 0.333373 0.657525 W\n0.333352 0.666701 0.701535 Se\n0.666648 0.333293 0.425774 Se\n0.666647 0.333292 0.513661 Se\n0.333355 0.666708 0.613334 Se\n0.666647 0.333291 0.053888 S\n0.666648 0.333292 0.134126 S\n",
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"density_atomic": 0.032562276278893264,
"volume": 368.52460489005654,
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},
{
"id": "jvasp-34407",
"created_at": "2022-09-04T14:38:08.690623Z",
"updated_at": "2022-09-04T14:38:08.690649Z",
"structure_string": "Pr6 Si4 Cl2 O16\n1.0\n6.488877 -0.000000 -0.000000\n-3.244438 7.068846 -1.049807\n-0.000000 0.005002 8.875686\nPr Si Cl O\n6 4 2 16\ndirect\n0.079785 0.370587 0.171150 Pr\n0.290802 0.370587 0.671150 Pr\n0.574487 -0.000000 0.750000 Pr\n0.920215 0.629413 0.828851 Pr\n0.709199 0.629413 0.328850 Pr\n0.425513 -0.000000 0.250000 Pr\n0.396132 0.683638 0.974544 Si\n0.603869 0.316363 0.025456 Si\n0.712494 0.316362 0.525457 Si\n0.287506 0.683638 0.474544 Si\n0.024941 -0.000000 0.750000 Cl\n0.975060 -0.000000 0.250000 Cl\n0.295916 0.476288 0.418820 O\n0.593030 0.710939 0.853942 O\n0.406971 0.289061 0.146059 O\n0.549324 0.845480 0.467674 O\n0.767302 0.308458 0.345444 O\n0.117910 0.710939 0.353941 O\n0.819628 0.523712 0.081180 O\n0.541157 0.308458 0.845444 O\n0.232698 0.691542 0.654556 O\n0.704084 0.523712 0.581180 O\n0.703846 0.154520 0.032326 O\n0.180372 0.476288 0.918820 O\n0.450676 0.154520 0.532327 O\n0.458844 0.691542 0.154556 O\n0.882091 0.289061 0.646059 O\n0.296155 0.845480 0.967674 O\n",
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"formula_full": "Pr6 Si4 Cl2 O16",
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{
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"created_at": "2022-09-04T14:38:08.691669Z",
"updated_at": "2022-09-04T14:38:08.691688Z",
"structure_string": "Li4 Cr2 O8\n1.0\n5.071998 0.000000 0.000000\n0.000000 5.234623 0.000000\n0.000000 0.000000 6.638844\nLi Cr O\n4 2 8\ndirect\n0.005227 0.675989 0.248567 Li\n0.505228 0.324011 0.251433 Li\n0.505228 0.324011 0.748567 Li\n0.005227 0.675989 0.751432 Li\n0.999002 0.181016 0.000000 Cr\n0.499002 0.818983 0.500000 Cr\n0.069857 0.870773 0.000000 O\n0.674363 0.224013 0.000000 O\n0.123211 0.320705 0.203415 O\n0.623211 0.679295 0.296584 O\n0.174363 0.775986 0.500000 O\n0.569857 0.129227 0.500000 O\n0.623211 0.679295 0.703415 O\n0.123211 0.320705 0.796584 O\n",
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{
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"created_at": "2022-09-04T14:38:08.700528Z",
"updated_at": "2022-09-04T14:38:08.700551Z",
"structure_string": "K4 Zr5 O12\n1.0\n2.929653 -5.074308 -0.000000\n2.929653 5.074308 -0.000000\n-0.000000 0.000000 10.505758\nK Zr O\n4 5 12\ndirect\n0.666667 0.333332 0.386754 K\n0.333332 0.666667 0.613246 K\n0.000000 0.000000 0.177904 K\n0.000000 0.000000 0.822096 K\n0.666667 0.333332 0.716751 Zr\n0.333332 0.666667 0.283249 Zr\n0.666667 0.333332 0.024284 Zr\n0.333332 0.666667 0.975716 Zr\n0.000000 0.000000 0.500000 Zr\n0.164847 0.835151 0.378426 O\n0.835151 0.164847 0.621574 O\n0.835151 0.670302 0.621574 O\n0.329697 0.164848 0.621574 O\n0.490548 0.509451 0.122891 O\n0.509452 0.018904 0.877109 O\n0.490547 0.981094 0.122891 O\n0.509451 0.490548 0.877109 O\n0.670302 0.835151 0.378426 O\n0.981094 0.490547 0.877109 O\n0.018904 0.509452 0.122891 O\n0.164848 0.329697 0.378426 O\n",
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{
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"updated_at": "2022-09-04T14:38:08.700560Z",
"structure_string": "Sr4 Li4 Ni2 O8\n1.0\n5.346437 0.002674 -0.041830\n-0.769044 5.436157 0.000131\n-0.997971 -2.444380 7.917359\nSr Li Ni O\n4 4 2 8\ndirect\n0.272653 0.782010 0.023117 Sr\n0.832710 0.845788 0.305236 Sr\n0.167291 0.154212 0.694764 Sr\n0.727349 0.217989 0.976883 Sr\n0.801478 0.377704 0.454426 Li\n0.413425 0.117257 0.412054 Li\n0.586576 0.882743 0.587946 Li\n0.198523 0.622296 0.545574 Li\n0.708839 0.608353 0.756125 Ni\n0.291162 0.391647 0.243875 Ni\n0.576496 0.189207 0.239301 O\n0.212267 0.297572 0.997894 O\n0.126665 0.269928 0.423860 O\n0.323850 0.757678 0.360925 O\n0.676152 0.242322 0.639075 O\n0.873337 0.730072 0.576140 O\n0.787735 0.702428 0.002106 O\n0.423506 0.810793 0.760699 O\n",
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{
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"created_at": "2022-09-04T14:38:08.708319Z",
"updated_at": "2022-09-04T14:38:08.708351Z",
"structure_string": "Ba2 Ca2 C2 O6\n1.0\n5.240012 0.000000 0.000000\n-2.620006 4.538041 0.000000\n0.000000 0.000000 13.161489\nBa Ca C O\n2 2 2 6\ndirect\n0.666699 0.333399 0.502726 Ba\n0.333300 0.666601 0.002726 Ba\n0.666631 0.333262 0.805131 Ca\n0.333368 0.666738 0.305131 Ca\n-0.000032 -0.000065 0.922121 C\n0.000032 0.000065 0.422121 C\n0.857327 0.714656 0.924009 O\n0.285250 0.142572 0.924007 O\n0.857321 0.142572 0.924007 O\n0.142672 0.285344 0.424009 O\n0.714749 0.857428 0.424007 O\n0.142677 0.857428 0.424007 O\n",
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}
]
}