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{
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"results": [
{
"id": "jvasp-101511",
"created_at": "2022-09-04T14:36:40.443213Z",
"updated_at": "2022-09-04T14:36:40.443234Z",
"structure_string": "Rb2 In1 Ag1 Br6\n1.0\n6.728498 0.000000 3.884700\n2.242833 6.343689 3.884700\n0.000000 0.000000 7.769400\nRb In Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ag\n0.753433 0.246568 0.246567 Br\n0.246567 0.246568 0.753433 Br\n0.246567 0.753433 0.753433 Br\n0.246567 0.753433 0.246567 Br\n0.753433 0.246568 0.753432 Br\n0.753432 0.753433 0.246567 Br\n",
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{
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"updated_at": "2022-09-04T14:37:13.503747Z",
"structure_string": "Mn2 C8 N2 O10\n1.0\n6.536732 -0.000000 0.000000\n-3.268366 5.481238 -1.718427\n0.000000 -0.002788 9.257434\nMn C N O\n2 8 2 10\ndirect\n0.124387 -0.000000 0.750000 Mn\n0.875613 -0.000000 0.250000 Mn\n0.290687 0.272318 0.683051 C\n0.639368 0.835477 0.085603 C\n0.803891 0.164523 0.414396 C\n0.360631 0.164523 0.914396 C\n0.018369 0.727682 0.816948 C\n0.981630 0.272318 0.183051 C\n0.709312 0.727682 0.316948 C\n0.196108 0.835477 0.585603 C\n0.865363 -0.000000 0.750000 N\n0.134637 -0.000000 0.250000 N\n0.314397 -0.000000 0.250000 O\n0.235785 0.729672 0.479354 O\n0.043578 0.440687 0.141272 O\n0.956421 0.559313 0.858727 O\n0.506114 0.270328 0.020646 O\n0.397108 0.440687 0.641272 O\n0.602891 0.559313 0.358728 O\n0.493885 0.729672 0.979354 O\n0.685603 -0.000000 0.750000 O\n0.764214 0.270328 0.520645 O\n",
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{
"id": "jvasp-40686",
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"updated_at": "2022-09-04T14:38:00.856603Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n4.966677 0.000000 0.000000\n0.000000 6.057352 0.000000\n0.000000 0.000000 11.024893\nLi Fe Si O\n4 4 4 16\ndirect\n0.755735 0.991102 0.167958 Li\n0.255734 0.491102 0.332042 Li\n0.755735 0.508897 0.667958 Li\n0.255734 0.008898 0.832042 Li\n0.255822 0.740829 0.082699 Fe\n0.755822 0.240830 0.417301 Fe\n0.255822 0.759170 0.582699 Fe\n0.755822 0.259170 0.917301 Fe\n0.751305 0.757666 0.913733 Si\n0.251304 0.257666 0.586266 Si\n0.751305 0.742333 0.413733 Si\n0.251304 0.242334 0.086266 Si\n0.832696 0.531787 0.838931 O\n0.858774 0.984406 0.845369 O\n0.358773 0.484406 0.654630 O\n0.332696 0.031787 0.661068 O\n0.920611 0.269797 0.571102 O\n0.882702 0.745962 0.552181 O\n0.382702 0.254038 0.447818 O\n0.920611 0.230202 0.071102 O\n0.832696 0.968212 0.338931 O\n0.858774 0.515594 0.345370 O\n0.358773 0.015594 0.154630 O\n0.332696 0.468213 0.161069 O\n0.420611 0.769797 0.928897 O\n0.882702 0.754037 0.052182 O\n0.420611 0.730202 0.428898 O\n0.382702 0.245962 0.947818 O\n",
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"elements": [
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"formula_full": "Li4 Fe4 Si4 O16",
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},
{
"id": "jvasp-59046",
"created_at": "2022-09-04T14:38:30.681026Z",
"updated_at": "2022-09-04T14:38:30.681057Z",
"structure_string": "Ag8 Hg4 O8\n1.0\n6.270466 0.000000 0.000000\n0.000000 6.270466 0.000000\n0.000000 0.000000 8.435795\nAg Hg O\n8 4 8\ndirect\n0.499453 0.745473 0.628401 Ag\n0.999453 0.754528 0.621598 Ag\n0.245473 0.000547 0.878401 Ag\n0.754528 0.999453 0.378401 Ag\n0.254527 0.500547 0.871598 Ag\n0.000547 0.245473 0.121599 Ag\n0.500547 0.254527 0.128401 Ag\n0.745473 0.499453 0.371598 Ag\n0.789642 0.789642 0.000000 Hg\n0.710359 0.289642 0.750000 Hg\n0.289642 0.710359 0.250000 Hg\n0.210359 0.210359 0.500000 Hg\n0.249536 0.623154 0.486221 O\n0.750465 0.376846 0.986220 O\n0.623154 0.249536 0.513779 O\n0.123154 0.250464 0.736221 O\n0.749536 0.876847 0.763779 O\n0.376846 0.750465 0.013779 O\n0.876847 0.749536 0.236221 O\n0.250464 0.123154 0.263779 O\n",
"nsites": 20,
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"elements": [
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"density": 8.977937705987896,
"density_atomic": 0.06029819940821394,
"volume": 331.68486283647735,
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"formula_full": "Ag8 Hg4 O8",
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"spacegroup": 96
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{
"id": "jvasp-29884",
"created_at": "2022-09-04T14:37:30.589471Z",
"updated_at": "2022-09-04T14:37:30.589504Z",
"structure_string": "Cd2 In2 Ga2 S8\n1.0\n3.897464 0.000000 -0.000000\n-1.948732 3.375303 -0.000000\n-0.000000 -0.000000 25.214967\nCd In Ga S\n2 2 2 8\ndirect\n0.000000 -0.000000 0.242096 Cd\n0.000000 -0.000000 0.757904 Cd\n0.666666 0.333333 0.394228 In\n0.333333 0.666666 0.605772 In\n0.666666 0.333333 0.902262 Ga\n0.333333 0.666666 0.097738 Ga\n0.666666 0.333333 0.559786 S\n0.333333 0.666666 0.700943 S\n0.666666 0.333333 0.060798 S\n0.333333 0.666666 0.440214 S\n0.666666 0.333333 0.814546 S\n0.666666 0.333333 0.299057 S\n0.333333 0.666666 0.185454 S\n0.333333 0.666666 0.939202 S\n",
"nsites": 14,
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],
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},
{
"id": "jvasp-104116",
"created_at": "2022-09-04T14:36:51.718880Z",
"updated_at": "2022-09-04T14:36:51.718899Z",
"structure_string": "H12 C20 S2\n1.0\n3.872408 -0.201292 -0.178256\n-2.260916 5.974279 -0.880971\n0.050157 -0.142653 14.647069\nH C S\n12 20 2\ndirect\n0.232606 0.815177 0.004202 H\n0.900558 0.351625 0.403655 H\n0.580335 0.623125 0.692093 H\n0.508815 0.511892 0.353413 H\n0.723383 0.167726 0.096388 H\n0.392808 0.704323 0.496045 H\n0.116093 0.007539 0.146785 H\n0.845689 0.000448 0.969992 H\n0.045694 0.896487 0.808195 H\n0.779940 0.519091 0.530251 H\n0.014470 0.160133 0.260852 H\n0.608894 0.359144 0.239141 H\n0.381743 0.263376 0.705553 C\n0.812561 0.166683 0.393266 C\n0.026453 0.822755 0.137277 C\n0.543512 0.450219 0.661650 C\n0.879104 0.056362 0.311686 C\n0.094408 0.713143 0.055592 C\n0.648259 0.393180 0.573738 C\n0.636299 0.044915 0.462556 C\n0.848728 0.701735 0.206661 C\n0.568296 0.162013 0.547670 C\n0.811628 0.352691 0.106819 C\n0.988458 0.474524 0.037600 C\n0.530534 0.806309 0.444596 C\n0.744800 0.462968 0.188370 C\n0.598216 0.696655 0.362883 C\n0.243713 0.256178 0.794678 C\n0.056800 0.357478 0.952522 C\n0.082160 0.069349 0.838601 C\n0.977208 0.126352 0.926490 C\n0.775478 0.817622 0.293439 C\n0.265020 0.504564 0.864956 S\n0.360004 0.014936 0.635231 S\n",
"nsites": 34,
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},
{
"id": "jvasp-46789",
"created_at": "2022-09-04T14:38:05.756115Z",
"updated_at": "2022-09-04T14:38:05.756133Z",
"structure_string": "Li4 Si6 Ni2 O16\n1.0\n0.000000 6.394744 0.127334\n8.114064 0.000000 0.000000\n0.000000 -1.927745 -6.431884\nLi Si Ni O\n4 6 2 16\ndirect\n0.832190 0.680617 0.244995 Li\n0.606230 0.182581 0.545872 Li\n0.393770 0.682581 0.454127 Li\n0.167810 0.180617 0.755005 Li\n0.782897 0.322730 0.933467 Si\n0.805314 0.834789 0.671570 Si\n0.576892 0.974017 0.951201 Si\n0.217104 0.822730 0.066533 Si\n0.423109 0.474017 0.048799 Si\n0.194686 0.334789 0.328430 Si\n0.004505 0.014274 0.365634 Ni\n-0.004504 0.514274 0.634366 Ni\n0.758573 0.683655 0.505944 O\n0.611177 0.166682 0.894485 O\n0.247794 0.409695 0.839178 O\n0.578624 0.863887 0.742162 O\n0.798781 0.359492 0.703493 O\n0.878095 0.012455 0.597727 O\n0.241427 0.183656 0.494056 O\n0.320322 0.974424 0.959710 O\n0.201219 0.859492 0.296507 O\n0.421376 0.363887 0.257838 O\n0.752206 0.909695 0.160822 O\n0.388823 0.666682 0.105515 O\n0.679678 0.474425 0.040290 O\n0.008397 0.265548 0.112384 O\n0.121905 0.512454 0.402273 O\n-0.008396 0.765548 0.887615 O\n",
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"volume": 331.74175510460145,
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"formula_full": "Li4 Si6 Ni2 O16",
"formula_reduced": "Li2Si3NiO8",
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},
{
"id": "jvasp-107632",
"created_at": "2022-09-04T14:36:54.418066Z",
"updated_at": "2022-09-04T14:36:54.418087Z",
"structure_string": "Rb3 Sc1 Cl6\n1.0\n6.729412 -0.000000 3.885228\n2.243137 6.344550 3.885228\n-0.000000 -0.000000 7.770455\nRb Sc Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Rb\n0.000000 0.000000 0.000000 Sc\n0.774508 0.225492 0.225492 Cl\n0.225492 0.225492 0.774509 Cl\n0.225492 0.774508 0.774509 Cl\n0.225492 0.774508 0.225492 Cl\n0.774508 0.225492 0.774509 Cl\n0.774508 0.774508 0.225493 Cl\n",
"nsites": 10,
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"elements": [
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],
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"formula_full": "Rb3 Sc1 Cl6",
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},
{
"id": "jvasp-119076",
"created_at": "2022-09-04T14:38:51.014485Z",
"updated_at": "2022-09-04T14:38:51.014522Z",
"structure_string": "Sm3 As6 Pd9\n1.0\n8.254292 0.009672 2.575735\n7.224219 3.993005 2.575735\n-0.026816 -0.006935 10.078946\nSm As Pd\n3 6 9\ndirect\n0.847119 0.847119 0.698549 Sm\n0.152881 0.152881 0.301453 Sm\n0.000000 0.000000 0.000000 Sm\n0.636642 0.636641 0.545318 As\n0.460336 0.460337 0.789276 As\n0.363358 0.363358 0.454683 As\n0.198658 0.198660 0.869164 As\n0.801342 0.801340 0.130837 As\n0.539663 0.539662 0.210725 As\n0.680220 0.680218 0.034613 Pd\n0.957997 0.957995 0.332426 Pd\n0.042003 0.042005 0.667576 Pd\n0.778729 0.778728 0.389026 Pd\n0.221271 0.221272 0.610976 Pd\n0.378496 0.378495 0.197793 Pd\n0.621504 0.621505 0.802208 Pd\n0.500000 0.500000 0.500001 Pd\n0.319780 0.319782 0.965389 Pd\n",
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},
{
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"created_at": "2022-09-04T14:37:36.843914Z",
"updated_at": "2022-09-04T14:37:36.843933Z",
"structure_string": "Ca4 Mg4 Pb4\n1.0\n4.719700 0.000000 0.000000\n0.000000 7.895221 0.000000\n0.000000 0.000000 8.905137\nCa Mg Pb\n4 4 4\ndirect\n0.250000 0.022159 0.182749 Ca\n0.250000 0.522159 0.317252 Ca\n0.750000 0.477841 0.682749 Ca\n0.750000 0.977840 0.817252 Ca\n0.750000 0.358233 0.061196 Mg\n0.750000 0.858233 0.438804 Mg\n0.250000 0.141767 0.561196 Mg\n0.250000 0.641767 0.938805 Mg\n0.750000 0.738993 0.118125 Pb\n0.750000 0.238993 0.381875 Pb\n0.250000 0.761007 0.618125 Pb\n0.250000 0.261007 0.881875 Pb\n",
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],
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"formula_full": "Ca4 Mg4 Pb4",
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},
{
"id": "jvasp-107813",
"created_at": "2022-09-04T14:36:42.752899Z",
"updated_at": "2022-09-04T14:36:42.752912Z",
"structure_string": "K2 Rb1 As1 Cl6\n1.0\n6.729923 -0.000000 3.885523\n2.243308 6.345032 3.885523\n-0.000000 -0.000000 7.771046\nK Rb As 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 Rb\n0.000000 0.000000 0.000000 As\n0.772702 0.227297 0.227297 Cl\n0.227297 0.227297 0.772703 Cl\n0.227298 0.772702 0.772703 Cl\n0.227298 0.772702 0.227297 Cl\n0.772702 0.227297 0.772703 Cl\n0.772703 0.772702 0.227297 Cl\n",
"nsites": 10,
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],
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"volume": 331.83591752732974,
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"formula_full": "K2 Rb1 As1 Cl6",
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},
{
"id": "jvasp-5770",
"created_at": "2022-09-04T14:38:16.934030Z",
"updated_at": "2022-09-04T14:38:16.934047Z",
"structure_string": "As2 Cl10\n1.0\n6.193024 0.000000 0.000000\n0.000000 7.033151 0.000000\n0.000000 0.000000 7.619934\nAs Cl\n2 10\ndirect\n0.833538 0.000000 0.500000 As\n0.166461 0.500000 0.000000 As\n0.834710 0.000000 0.202272 Cl\n0.834710 0.000000 0.797727 Cl\n0.350784 0.235027 0.000000 Cl\n0.350784 0.764973 0.000000 Cl\n0.649215 0.735027 0.500000 Cl\n0.649215 0.264973 0.500000 Cl\n0.814916 0.500000 0.000000 Cl\n0.185084 0.000000 0.500000 Cl\n0.165289 0.500000 0.702272 Cl\n0.165289 0.500000 0.297728 Cl\n",
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"formula_full": "As2 Cl10",
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"spacegroup": 59
}
]
}