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{
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{
"id": "jvasp-48149",
"created_at": "2022-09-04T14:36:45.961761Z",
"updated_at": "2022-09-04T14:36:45.961784Z",
"structure_string": "Li4 Ni2 C4 O12\n1.0\n-0.000000 -7.937245 -2.782584\n-5.139959 -0.000000 -2.782584\n-0.000000 -0.000000 -5.565170\nLi Ni C O\n4 2 4 12\ndirect\n0.656339 0.911100 0.537644 Li\n0.156339 0.588900 0.698745 Li\n0.843662 0.411100 0.443984 Li\n0.343661 0.088900 0.105085 Li\n0.500000 0.500000 0.268215 Ni\n-0.000000 -0.000000 0.018216 Ni\n0.701033 0.943914 0.967284 C\n0.201033 0.556086 0.161200 C\n0.798968 0.443914 0.918317 C\n0.298967 0.056086 0.612233 C\n0.455844 0.137602 0.468575 O\n0.955844 0.362398 0.856177 O\n0.732261 0.428094 0.173979 O\n0.720187 0.535454 0.733741 O\n0.279814 0.464546 0.989382 O\n0.779814 0.035454 0.703929 O\n0.044156 0.637602 0.174419 O\n0.544156 0.862398 0.062020 O\n0.767740 0.928094 0.156239 O\n0.232261 0.071906 0.852074 O\n0.267740 0.571906 0.334333 O\n0.220187 -0.035454 0.519196 O\n",
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{
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"structure_string": "Li4 Ni2 C4 O12\n1.0\n5.099380 -0.001468 0.001677\n-2.507786 5.464775 0.012254\n-0.002523 -0.018636 7.848949\nLi Ni C O\n4 2 4 12\ndirect\n0.691409 0.315479 0.057543 Li\n0.815031 0.193154 0.557555 Li\n0.191361 0.815458 0.442203 Li\n0.315004 0.693096 0.942235 Li\n0.503207 0.504317 0.499884 Ni\n0.003208 0.004306 -0.000116 Ni\n0.277568 0.126737 0.735135 C\n0.228857 0.381869 0.235133 C\n0.777561 0.626731 0.764625 C\n0.728824 0.881865 0.264621 C\n0.907641 0.655105 0.910132 O\n0.598733 0.853477 0.410128 O\n0.896149 0.598283 0.624518 O\n0.519628 0.615909 0.753311 O\n0.486796 0.392706 0.246448 O\n0.019629 0.115907 0.746455 O\n0.098785 0.353506 0.089622 O\n0.407656 0.155119 0.589626 O\n0.396154 0.098290 0.875243 O\n0.610241 0.910312 0.124513 O\n0.110249 0.410296 0.375238 O\n0.986772 0.892710 0.253303 O\n",
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"formula_full": "Li4 Ni2 C4 O12",
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"formula_anonymous": "AB2C2D6",
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{
"id": "jvasp-75774",
"created_at": "2022-09-04T14:35:56.277047Z",
"updated_at": "2022-09-04T14:35:56.277068Z",
"structure_string": "Ta1 As1 Br1\n1.0\n-0.000000 3.185589 3.185589\n3.185589 -0.000000 3.185589\n3.185589 3.185589 0.000000\nTa As Br\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 As\n0.750000 0.750000 0.750000 Br\n",
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"volume": 64.65456957121897,
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"spacegroup": 216
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{
"id": "jvasp-115181",
"created_at": "2022-09-04T14:38:45.074305Z",
"updated_at": "2022-09-04T14:38:45.074329Z",
"structure_string": "Li1 B2\n1.0\n3.333457 0.000000 -0.000000\n-1.666728 2.886858 0.000000\n0.000000 0.000000 2.685899\nLi B\n1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.333333 0.666667 0.000000 B\n0.666666 0.333333 0.000000 B\n",
"nsites": 3,
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"elements": [
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"density": 1.835029119697417,
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"volume": 25.846988938854903,
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"formula_full": "Li1 B2",
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{
"id": "jvasp-91521",
"created_at": "2022-09-04T14:35:48.922277Z",
"updated_at": "2022-09-04T14:35:48.922308Z",
"structure_string": "Ce2 Si4 Ir2\n1.0\n0.000000 0.000000 -4.213987\n-4.205215 -0.000000 0.000000\n2.102608 8.427301 -0.000000\nCe Si Ir\n2 4 2\ndirect\n0.750001 0.105885 0.211771 Ce\n0.250000 0.894113 0.788229 Ce\n0.750001 0.463877 0.927756 Si\n0.250000 0.536121 0.072244 Si\n0.750001 0.750017 0.500035 Si\n0.250000 0.249982 0.499964 Si\n0.750001 0.323091 0.646183 Ir\n0.250000 0.676908 0.353817 Ir\n",
"nsites": 8,
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"formula_full": "Ce2 Si4 Ir2",
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"spacegroup": 63
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{
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"created_at": "2022-09-04T14:35:53.515646Z",
"updated_at": "2022-09-04T14:35:53.515662Z",
"structure_string": "Cd2 B4 H16\n1.0\n6.034284 -0.000000 0.000000\n0.000000 6.034284 0.000000\n0.000000 0.000000 5.789897\nCd B H\n2 4 16\ndirect\n0.000000 0.000000 0.996519 Cd\n0.500000 0.500000 0.496519 Cd\n0.273169 0.273169 0.224078 B\n0.726830 0.726830 0.224078 B\n0.773169 0.226831 0.724079 B\n0.226831 0.773169 0.724079 B\n0.699638 0.699638 0.019249 H\n0.300361 0.300361 0.019249 H\n0.365361 0.634638 0.791090 H\n0.634638 0.365361 0.791090 H\n0.865361 0.865361 0.291090 H\n0.134638 0.134638 0.291090 H\n0.198073 0.447915 0.303663 H\n0.052085 0.698072 0.803663 H\n0.947914 0.301927 0.803663 H\n0.800361 0.199639 0.519249 H\n0.301927 0.947914 0.803663 H\n0.698072 0.052085 0.803663 H\n0.552085 0.801927 0.303663 H\n0.447915 0.198073 0.303663 H\n0.801927 0.552085 0.303663 H\n0.199639 0.800361 0.519249 H\n",
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"spacegroup": 102
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{
"id": "jvasp-105316",
"created_at": "2022-09-04T14:36:58.592271Z",
"updated_at": "2022-09-04T14:36:58.592291Z",
"structure_string": "Si2 Rh3\n1.0\n3.981920 0.000000 0.000000\n-1.990961 3.448444 0.000000\n0.000000 -0.000000 5.181412\nSi Rh\n2 3\ndirect\n0.333333 0.666666 0.206704 Si\n0.666666 0.333333 0.793296 Si\n0.333333 0.666666 0.672885 Rh\n0.666666 0.333333 0.327115 Rh\n0.000000 0.000000 0.000000 Rh\n",
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{
"id": "jvasp-115275",
"created_at": "2022-09-04T14:38:45.083361Z",
"updated_at": "2022-09-04T14:38:45.083395Z",
"structure_string": "B1 As1 O1\n1.0\n3.884176 0.000000 -0.000000\n-1.942088 3.363795 0.000000\n-0.000000 0.000000 2.660261\nB As O\n1 1 1\ndirect\n0.333334 0.666666 0.000000 B\n0.000000 0.000000 0.000000 As\n0.666668 0.333333 0.000000 O\n",
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},
{
"id": "jvasp-78420",
"created_at": "2022-09-04T14:37:09.365236Z",
"updated_at": "2022-09-04T14:37:09.365246Z",
"structure_string": "Br1 N1\n1.0\n-0.000000 -0.000000 -3.069795\n-2.170674 -2.170674 0.000000\n-2.170674 2.170674 0.000000\nBr N\n1 1\ndirect\n0.000000 0.499999 0.499999 Br\n0.499999 0.000000 0.000000 N\n",
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},
{
"id": "jvasp-96799",
"created_at": "2022-09-04T14:35:46.312841Z",
"updated_at": "2022-09-04T14:35:46.312867Z",
"structure_string": "Ca1 Ta2 Bi2 O9\n1.0\n3.790287 -0.108914 -1.017687\n-0.215658 3.739348 -1.108709\n-1.468273 -1.574800 14.506186\nCa Ta Bi O\n1 2 2 9\ndirect\n0.500000 0.500001 -0.000000 Ca\n0.772613 0.758215 0.834600 Ta\n0.227388 0.241787 0.165400 Ta\n0.146240 0.118119 0.398866 Bi\n0.853761 0.881883 0.601135 Bi\n0.810896 0.287817 0.853624 O\n0.589543 0.545529 0.682674 O\n0.250601 0.751460 0.501913 O\n0.749400 0.248542 0.498088 O\n0.305650 0.790528 0.854472 O\n0.189105 0.712185 0.146377 O\n0.694352 0.209474 0.145528 O\n0.410458 0.454472 0.317326 O\n0.000000 0.000000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:37:09.178368Z",
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"structure_string": "Li4 Mn3 V3 Sn2 O16\n1.0\n5.838458 -0.043435 0.029391\n-2.881680 5.150079 0.087854\n-0.049440 -0.094436 9.725242\nLi Mn V Sn O\n4 3 3 2 16\ndirect\n0.667146 0.334277 0.894449 Li\n0.000579 0.001281 0.994528 Li\n-0.002691 -0.005409 0.492682 Li\n0.331967 0.663972 0.398563 Li\n0.835117 0.670307 0.215305 Mn\n0.168880 0.829129 0.714855 Mn\n0.660296 0.829137 0.714862 Mn\n0.821484 0.171592 0.214415 V\n0.167754 0.335457 0.716748 V\n0.350035 0.171590 0.214417 V\n0.666531 0.333047 0.493356 Sn\n0.333539 0.667135 0.991604 Sn\n0.158915 0.317914 0.099290 O\n0.164371 0.845140 0.100329 O\n0.333925 0.667797 0.610532 O\n0.487136 0.519483 0.833384 O\n0.032353 0.519471 0.833375 O\n0.839901 0.679754 0.601596 O\n0.967049 0.480818 0.335395 O\n0.513448 0.026958 0.342356 O\n0.838105 0.151918 0.602455 O\n0.996482 0.992915 0.809136 O\n0.003202 0.006488 0.307108 O\n0.672111 0.344313 0.103327 O\n0.483825 0.967639 0.835573 O\n0.313847 0.151911 0.602455 O\n0.513717 0.480816 0.335402 O\n0.680680 0.845154 0.100340 O\n",
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{
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}