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{
"id": "jvasp-29385",
"created_at": "2022-09-04T14:38:04.622082Z",
"updated_at": "2022-09-04T14:38:04.622100Z",
"structure_string": "Al2 H6 O6\n1.0\n4.861035 0.012693 -0.722809\n-2.599921 4.219902 -1.221560\n0.010306 -0.048003 5.163577\nAl H O\n2 6 6\ndirect\n0.848125 0.689211 0.001435 Al\n0.170846 0.331099 -0.000521 Al\n0.519317 0.888992 0.221095 H\n0.294437 0.182284 0.424838 H\n0.079787 0.551426 0.608314 H\n0.748382 0.321862 0.239604 H\n0.473226 0.108488 0.771663 H\n0.720492 0.841959 0.587026 H\n0.439721 0.286272 0.784117 O\n0.955942 0.480126 0.229972 O\n0.066655 0.546727 0.795530 O\n0.236657 0.098564 0.215842 O\n0.577578 0.729948 0.225877 O\n0.793932 0.926040 0.796409 O\n",
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{
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"structure_string": "Al2 H6 O6\n1.0\n4.949894 -0.014454 -0.751816\n-2.790081 3.976574 -1.541081\n0.127782 -0.208857 5.355357\nAl H O\n2 6 6\ndirect\n0.169234 0.335488 0.002736 Al\n0.830765 0.664511 0.997264 Al\n0.562252 0.876166 0.792359 H\n0.090849 0.665239 0.426147 H\n0.437747 0.123833 0.207640 H\n0.909150 0.334760 0.573852 H\n0.670830 0.792460 0.425732 H\n0.329169 0.207539 0.574267 H\n0.240064 0.120023 0.212209 O\n0.037613 0.503283 0.776359 O\n0.962386 0.496716 0.223641 O\n0.400389 0.239768 0.770723 O\n0.759935 0.879976 0.787791 O\n0.599610 0.760232 0.229277 O\n",
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{
"id": "jvasp-29841",
"created_at": "2022-09-04T14:38:04.456736Z",
"updated_at": "2022-09-04T14:38:04.456752Z",
"structure_string": "Al2 H6 O6\n1.0\n5.067890 -0.034187 -1.057695\n-2.661492 4.303333 0.680767\n-0.948624 0.126294 5.072438\nAl H O\n2 6 6\ndirect\n0.284753 0.625995 0.002365 Al\n0.607413 0.306731 0.000360 Al\n0.516045 -0.004705 0.608929 H\n0.157339 0.345581 0.588082 H\n0.909922 0.831662 0.772611 H\n0.184460 0.893410 0.240433 H\n0.730732 0.579079 0.425666 H\n0.955641 0.097427 0.221883 H\n0.503808 -0.012985 0.796586 O\n0.230955 0.335089 0.797392 O\n0.876674 0.620517 0.785048 O\n0.392084 0.942773 0.230827 O\n0.672879 0.604991 0.216713 O\n0.013811 0.314639 0.226787 O\n",
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"spacegroup": 1
},
{
"id": "jvasp-29840",
"created_at": "2022-09-04T14:38:01.028600Z",
"updated_at": "2022-09-04T14:38:01.028631Z",
"structure_string": "Al2 H6 O6\n1.0\n5.119133 0.120781 -0.010103\n-2.454968 4.252128 0.020206\n-0.008994 0.015579 4.674549\nAl H O\n2 6 6\ndirect\n0.325978 0.683803 0.001824 Al\n0.674021 0.357825 0.001824 Al\n0.779998 0.967601 0.722148 H\n0.220003 0.187602 0.722147 H\n0.000000 0.603593 0.580594 H\n0.446988 0.019171 0.415886 H\n0.553012 0.572184 0.415887 H\n0.000000 0.179002 0.246834 H\n0.618187 0.012941 0.766037 O\n0.381814 0.394755 0.766037 O\n0.000001 0.671989 0.778928 O\n0.370699 0.023644 0.221592 O\n0.629301 0.652945 0.221592 O\n0.000000 0.377681 0.217949 O\n",
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"formula_full": "Al2 H6 O6",
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"spacegroup": 8
},
{
"id": "jvasp-29843",
"created_at": "2022-09-04T14:37:07.931459Z",
"updated_at": "2022-09-04T14:37:07.931475Z",
"structure_string": "Al2 H6 O6\n1.0\n5.119305 -0.122094 -0.010031\n-2.663238 4.373584 -0.010455\n-0.009419 -0.015466 4.674709\nAl H O\n2 6 6\ndirect\n0.357802 0.682598 0.981172 Al\n0.683785 0.356618 0.981166 Al\n0.572161 0.017954 0.567086 H\n0.178919 0.177759 0.736252 H\n0.019130 0.570938 0.567088 H\n0.187657 0.966429 0.260902 H\n0.603771 0.602565 0.402421 H\n0.967641 0.186445 0.260844 H\n0.652879 0.022413 0.761398 O\n0.377609 0.376431 0.765121 O\n0.023594 0.651683 0.761385 O\n0.394777 0.011746 0.216954 O\n0.672043 0.670849 0.204059 O\n0.012951 0.393583 0.216966 O\n",
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"formula_full": "Al2 H6 O6",
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},
{
"id": "jvasp-30093",
"created_at": "2022-09-04T14:38:05.139422Z",
"updated_at": "2022-09-04T14:38:05.139450Z",
"structure_string": "Al2 H8 Se4 O16\n1.0\n7.299329 0.000000 -1.890385\n0.000000 6.276744 0.000000\n0.135926 0.000000 7.227736\nAl H Se O\n2 8 4 16\ndirect\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.726068 0.757631 0.903764 H\n0.226068 0.742368 0.403764 H\n0.273932 0.242369 0.096237 H\n0.773933 0.257631 0.596238 H\n0.953038 0.229764 0.771513 H\n0.453037 0.270236 0.271512 H\n0.046963 0.770236 0.228489 H\n0.546963 0.729763 0.728489 H\n0.397205 0.187780 0.639546 Se\n0.897205 0.312220 0.139546 Se\n0.102796 0.687780 0.860456 Se\n0.602795 0.812219 0.360456 Se\n0.644318 0.589960 0.235610 O\n0.302169 0.674559 0.032501 O\n0.802169 0.825440 0.532502 O\n0.855682 0.089960 0.264391 O\n0.355682 0.410039 0.764391 O\n0.144318 0.910039 0.735610 O\n0.909242 0.233039 0.629425 O\n0.046327 0.231358 0.009394 O\n0.090758 0.766960 0.370577 O\n0.590758 0.733039 0.870577 O\n0.453673 0.731357 0.490607 O\n0.953673 0.768642 0.990608 O\n0.546328 0.268642 0.509394 O\n0.197832 0.174559 0.467500 O\n0.409242 0.266961 0.129424 O\n0.697832 0.325440 0.967500 O\n",
"nsites": 30,
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],
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"formula_full": "Al2 H8 Se4 O16",
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},
{
"id": "jvasp-2661",
"created_at": "2022-09-04T14:36:34.390667Z",
"updated_at": "2022-09-04T14:36:34.390691Z",
"structure_string": "Al2 Hg1 S4\n1.0\n5.040914 -0.000000 -2.377590\n-1.121410 4.914595 -2.377590\n-0.025778 -0.032322 6.477960\nAl Hg S\n2 1 4\ndirect\n0.250000 0.750001 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Hg\n0.865948 0.861013 0.275275 S\n0.409327 0.414264 0.275275 S\n0.138988 0.590674 0.724725 S\n0.585736 0.134052 0.724725 S\n",
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},
{
"id": "jvasp-2205",
"created_at": "2022-09-04T14:36:52.221947Z",
"updated_at": "2022-09-04T14:36:52.221975Z",
"structure_string": "Al2 Hg1 Se4\n1.0\n5.259263 0.000000 -2.467332\n-1.157525 5.130301 -2.467332\n-0.011502 -0.014386 6.814363\nAl Hg Se\n2 1 4\ndirect\n0.250001 0.750000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Hg\n0.125499 0.137045 0.719984 Se\n0.594486 0.582938 0.719984 Se\n0.862954 0.405514 0.280016 Se\n0.417062 0.874501 0.280016 Se\n",
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"spacegroup": 82
},
{
"id": "jvasp-2673",
"created_at": "2022-09-04T14:36:47.948473Z",
"updated_at": "2022-09-04T14:36:47.948492Z",
"structure_string": "Al2 Hg1 Te4\n1.0\n5.685128 -0.000000 -2.525291\n-1.121716 5.573368 -2.525292\n-0.110837 -0.135367 7.412516\nAl Hg Te\n2 1 4\ndirect\n0.249999 0.750000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Hg\n0.861367 0.886967 0.279134 Te\n0.417766 0.392168 0.279133 Te\n0.113033 0.582233 0.720867 Te\n0.607832 0.138632 0.720867 Te\n",
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{
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"created_at": "2022-09-04T14:38:07.966268Z",
"updated_at": "2022-09-04T14:38:07.966300Z",
"structure_string": "Al2 I2 Cl12\n1.0\n0.000000 6.078548 -0.047490\n10.873169 0.000000 0.000000\n0.000000 -0.997802 -6.925036\nAl I Cl\n2 2 12\ndirect\n0.412328 0.089402 0.477007 Al\n0.587672 0.589402 0.522994 Al\n0.016073 0.748097 0.191970 I\n0.983928 0.248097 0.808031 I\n0.695775 0.776344 0.453626 Cl\n0.304225 0.276344 0.546374 Cl\n0.695808 0.201404 -0.005968 Cl\n0.304192 0.701404 0.005968 Cl\n0.195044 0.377291 0.035691 Cl\n0.804957 0.877291 0.964309 Cl\n0.301486 0.049347 0.181832 Cl\n0.698514 0.549347 0.818168 Cl\n0.777741 0.098067 0.499304 Cl\n0.222260 0.598067 0.500696 Cl\n0.691181 0.461050 0.324316 Cl\n0.308820 0.961050 0.675685 Cl\n",
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],
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},
{
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"created_at": "2022-09-04T14:37:26.860626Z",
"updated_at": "2022-09-04T14:37:26.860652Z",
"structure_string": "Al2 I6 O18\n1.0\n4.510520 -7.812450 -0.000000\n4.510520 7.812450 0.000000\n0.000000 0.000000 5.190207\nAl I O\n2 6 18\ndirect\n0.333333 0.666667 0.085612 Al\n0.666667 0.333333 0.585612 Al\n0.335340 0.312341 0.217169 I\n0.664660 0.687659 0.717170 I\n0.022997 0.335340 0.717170 I\n0.977003 0.664660 0.217169 I\n0.312341 0.977003 0.717170 I\n0.687659 0.022997 0.217169 I\n0.046476 0.216033 0.979205 O\n0.714580 0.519285 0.811021 O\n0.953524 0.783968 0.479204 O\n0.422348 0.869989 0.877038 O\n0.552359 0.422348 0.377037 O\n0.830442 0.046476 0.479204 O\n0.447641 0.577652 0.877038 O\n0.169558 0.953524 0.979205 O\n0.480715 0.195295 0.811021 O\n0.577652 0.130011 0.377037 O\n0.804705 0.285420 0.811021 O\n0.869989 0.447641 0.377037 O\n0.195295 0.714580 0.311020 O\n0.285420 0.480715 0.311020 O\n0.519285 0.804705 0.311020 O\n0.130011 0.552359 0.877038 O\n0.216033 0.169558 0.479204 O\n0.783967 0.830442 0.979205 O\n",
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],
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"density": 5.0089340232866855,
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"volume": 365.7872289098772,
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"formula_full": "Al2 I6 O18",
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"formula_anonymous": "AB3C9",
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"spacegroup": 173
},
{
"id": "jvasp-100858",
"created_at": "2022-09-04T14:37:10.559760Z",
"updated_at": "2022-09-04T14:37:10.559793Z",
"structure_string": "Al2 In2 N4\n1.0\n3.352914 0.000000 -4.630204\n-3.352914 3.352914 -0.000000\n-0.000000 -0.000000 9.260409\nAl In N\n2 2 4\ndirect\n0.000000 0.499999 0.250000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.499999 0.750000 In\n0.000000 0.000000 0.500000 In\n0.499999 0.049202 0.125000 N\n0.500000 0.950797 0.625000 N\n0.401595 0.450798 0.325798 N\n0.598404 0.549201 0.924202 N\n",
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],
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"volume": 104.10581700953414,
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"formula_full": "Al2 In2 N4",
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}
]
}