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{
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"results": [
{
"id": "jvasp-12531",
"created_at": "2022-09-04T14:38:34.757731Z",
"updated_at": "2022-09-04T14:38:34.757749Z",
"structure_string": "Ag2 Bi6 S10\n1.0\n4.054972 0.000000 -0.000000\n-2.027487 6.747321 -0.503565\n-0.000000 -0.084365 16.569258\nAg Bi S\n2 6 10\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 -0.000000 0.500000 Ag\n0.734616 0.469235 0.109064 Bi\n0.471003 0.942008 0.219866 Bi\n0.528995 0.057991 0.780133 Bi\n0.222606 0.445213 0.392007 Bi\n0.777392 0.554786 0.607993 Bi\n0.265382 0.530764 0.890936 Bi\n0.644607 0.289216 0.942623 S\n0.150252 0.300505 0.535377 S\n0.913900 0.827803 0.858126 S\n0.838666 0.677334 0.258978 S\n0.161332 0.322666 0.741022 S\n0.575137 0.150275 0.364336 S\n0.424861 0.849724 0.635664 S\n0.849746 0.699495 0.464622 S\n0.086098 0.172196 0.141873 S\n0.355391 0.710783 0.057377 S\n",
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{
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"created_at": "2022-09-04T14:38:34.804381Z",
"updated_at": "2022-09-04T14:38:34.804402Z",
"structure_string": "Ag2 Hg7 P8 I6\n1.0\n8.403794 0.003253 1.383295\n1.196005 8.474076 1.507388\n0.017036 0.000602 8.689782\nAg Hg P I\n2 7 8 6\ndirect\n0.500000 -0.000000 0.500000 Ag\n0.500000 0.500000 -0.000000 Ag\n0.235012 0.730640 0.366275 Hg\n0.869263 0.728879 0.728878 Hg\n0.764989 0.269360 0.633724 Hg\n0.130737 0.271121 0.271121 Hg\n0.764989 0.633724 0.269360 Hg\n0.000000 0.000000 0.000000 Hg\n0.235012 0.366276 0.730639 Hg\n0.741378 0.915239 0.915238 P\n0.577890 0.078273 0.761549 P\n0.422111 0.238450 0.921726 P\n0.577890 0.761550 0.078273 P\n0.065596 0.562140 0.562139 P\n0.934404 0.437860 0.437860 P\n0.422111 0.921727 0.238450 P\n0.258622 0.084761 0.084761 P\n0.150767 0.034763 0.639181 I\n0.849234 0.360818 0.965236 I\n0.533756 0.646466 0.646466 I\n0.150767 0.639182 0.034763 I\n0.849234 0.965237 0.360818 I\n0.466245 0.353534 0.353534 I\n",
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"formula_full": "Ag2 Hg7 P8 I6",
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{
"id": "jvasp-26042",
"created_at": "2022-09-04T14:38:34.888526Z",
"updated_at": "2022-09-04T14:38:34.888542Z",
"structure_string": "Tl1 Cr5 S8\n1.0\n3.420169 -0.000007 -0.660488\n-0.420894 8.350420 -2.179572\n-0.010551 -0.023612 9.131337\nTl Cr S\n1 5 8\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500000 -0.000000 Cr\n0.203748 0.835227 0.407486 Cr\n0.796254 0.164772 0.592514 Cr\n0.841962 0.528653 0.683935 Cr\n0.158040 0.471347 0.316066 Cr\n0.329297 0.010843 0.658575 S\n0.670705 0.989157 0.341426 S\n0.737664 0.656256 0.475317 S\n0.262338 0.343744 0.524683 S\n0.415225 0.675106 0.830436 S\n0.584777 0.324894 0.169564 S\n0.076452 0.650295 0.152886 S\n0.923550 0.349705 0.847114 S\n",
"nsites": 14,
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"elements": [
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"density_atomic": 0.05373273768503977,
"volume": 260.5487939598855,
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{
"id": "jvasp-10864",
"created_at": "2022-09-04T14:38:34.964408Z",
"updated_at": "2022-09-04T14:38:34.964434Z",
"structure_string": "Nd4 Hg2 O8\n1.0\n3.740125 -0.000000 0.796240\n1.605349 6.875185 1.641542\n-0.002325 -0.014894 9.193170\nNd Hg O\n4 2 8\ndirect\n0.619788 0.219292 0.541130 Nd\n0.380209 0.780709 0.458870 Nd\n0.839760 0.521472 0.799005 Nd\n0.160237 0.478529 0.200995 Nd\n0.113426 0.933115 0.840031 Hg\n0.886571 0.066887 0.159969 Hg\n0.202467 0.652147 0.942918 O\n0.797531 0.347855 0.057081 O\n0.035801 0.206248 0.722146 O\n0.964196 0.793753 0.277853 O\n0.419236 0.507950 0.653575 O\n0.580761 0.492052 0.346425 O\n0.229737 0.152068 0.388456 O\n0.770261 0.847933 0.611544 O\n",
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{
"id": "jvasp-118576",
"created_at": "2022-09-04T14:38:35.094327Z",
"updated_at": "2022-09-04T14:38:35.094354Z",
"structure_string": "K2 Se2\n1.0\n4.520912 -0.384668 -0.583535\n-0.631126 -4.508961 -1.826210\n1.456810 0.465716 -6.116374\nK Se\n2 2\ndirect\n-0.051383 0.115766 -0.132765 K\n0.706014 0.612587 0.365595 K\n0.415096 0.563434 0.935184 Se\n0.239498 0.164796 0.297782 Se\n",
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{
"id": "jvasp-21716",
"created_at": "2022-09-04T14:38:35.107945Z",
"updated_at": "2022-09-04T14:38:35.107957Z",
"structure_string": "As6 W4\n1.0\n3.262130 0.000000 0.669977\n1.427909 6.679770 1.324159\n0.010346 -0.002892 8.226297\nAs W\n6 4\ndirect\n0.893248 0.581468 0.632039 As\n0.106753 0.418532 0.367962 As\n0.584235 0.143665 0.687867 As\n0.415766 0.856335 0.312134 As\n0.124956 0.796950 0.953141 As\n0.875045 0.203050 0.046860 As\n0.653312 0.566773 0.126604 W\n0.346690 0.433227 0.873396 W\n0.752768 0.120980 0.373485 W\n0.247233 0.879019 0.626516 W\n",
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"volume": 179.2167236157744,
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"formula_full": "As6 W4",
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"formula_anonymous": "A2B3",
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"spacegroup": 12
},
{
"id": "jvasp-9132",
"created_at": "2022-09-04T14:38:35.118320Z",
"updated_at": "2022-09-04T14:38:35.118342Z",
"structure_string": "V8 As6\n1.0\n3.381841 0.000000 0.000000\n-1.690921 6.813642 -1.278279\n0.000000 -0.050795 9.136113\nV As\n8 6\ndirect\n0.558989 0.117978 0.724885 V\n0.441011 0.882022 0.275115 V\n0.774202 0.548404 0.816523 V\n0.225798 0.451597 0.183477 V\n0.337554 0.675108 0.551794 V\n0.662446 0.324892 0.448206 V\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.176708 0.353415 0.654361 As\n0.823292 0.646585 0.345639 As\n0.640578 0.281155 0.990109 As\n0.359422 0.718846 0.009891 As\n0.928775 0.857549 0.732452 As\n0.071225 0.142452 0.267548 As\n",
"nsites": 14,
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"volume": 210.30070607020963,
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"formula_full": "V8 As6",
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"spacegroup": 12
},
{
"id": "jvasp-51058",
"created_at": "2022-09-04T14:38:35.160139Z",
"updated_at": "2022-09-04T14:38:35.160164Z",
"structure_string": "Yb2 Fe2 Ge2\n1.0\n3.674720 0.000000 1.314446\n1.478057 5.189930 1.661705\n-0.085770 -0.178436 6.033604\nYb Fe Ge\n2 2 2\ndirect\n0.552313 0.681475 0.213901 Yb\n0.447689 0.318525 0.786098 Yb\n0.222246 0.130360 0.425147 Fe\n0.777755 0.869639 0.574852 Fe\n0.159249 0.865488 0.816014 Ge\n0.840752 0.134512 0.183985 Ge\n",
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},
{
"id": "jvasp-119543",
"created_at": "2022-09-04T14:38:35.264377Z",
"updated_at": "2022-09-04T14:38:35.264402Z",
"structure_string": "Li6 Mn4 V2 O12\n1.0\n2.838560 0.000004 -0.000001\n-0.000014 13.206079 3.046011\n0.000003 0.012037 5.789197\nLi Mn V O\n6 4 2 12\ndirect\n1.000001 0.666667 0.166667 Li\n0.500000 0.166666 0.166669 Li\n-0.000000 0.002093 0.489331 Li\n0.500000 0.502093 0.489331 Li\n-0.000000 0.331240 0.844006 Li\n0.500000 0.831241 0.844005 Li\n0.500001 0.507512 -0.004865 Mn\n0.500001 0.825822 0.338200 Mn\n0.000000 0.007511 -0.004865 Mn\n0.000000 0.325822 0.338201 Mn\n0.000000 0.666667 0.666667 V\n0.500000 0.166666 0.666669 V\n-0.000000 0.174265 0.899292 O\n-0.000000 0.507091 0.761529 O\n0.499999 0.007090 0.761529 O\n0.000000 0.826243 0.571807 O\n0.500000 0.326242 0.571808 O\n0.000001 0.829566 0.109296 O\n0.500001 0.329566 0.109297 O\n0.000000 0.503768 0.224040 O\n0.500000 0.003767 0.224040 O\n0.000000 0.159068 0.434046 O\n0.500000 0.659068 0.434044 O\n0.500000 0.674265 0.899291 O\n",
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"formula_full": "Li6 Mn4 V2 O12",
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"spacegroup": 12
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{
"id": "jvasp-20774",
"created_at": "2022-09-04T14:38:35.376294Z",
"updated_at": "2022-09-04T14:38:35.376319Z",
"structure_string": "As2 Pd10\n1.0\n4.788577 0.019938 -0.424800\n-1.593070 4.515860 -0.424800\n0.025528 0.036236 8.577043\nAs Pd\n2 10\ndirect\n0.251077 0.205411 0.712342 As\n0.794590 0.748925 0.287657 As\n0.226939 0.702662 0.826520 Pd\n0.297339 0.773062 0.173480 Pd\n0.748328 0.181273 0.826520 Pd\n0.818729 0.251674 0.173480 Pd\n0.670114 0.624447 0.647424 Pd\n0.375554 0.329887 0.352576 Pd\n0.765857 0.720190 0.991874 Pd\n0.279811 0.234145 0.008126 Pd\n0.837365 0.162637 0.500000 Pd\n0.208303 0.791698 0.500000 Pd\n",
"nsites": 12,
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},
{
"id": "jvasp-58532",
"created_at": "2022-09-04T14:38:35.389841Z",
"updated_at": "2022-09-04T14:38:35.389870Z",
"structure_string": "Ca2 Ti4 O8\n1.0\n3.039531 0.001562 0.001805\n1.515593 7.200919 0.072620\n1.514649 1.179974 7.584060\nCa Ti O\n2 4 8\ndirect\n0.348826 0.151685 0.143229 Ca\n0.637811 0.884600 0.832391 Ca\n0.631679 0.563961 0.165308 Ti\n0.133070 0.212769 0.513704 Ti\n0.853591 0.823501 0.461915 Ti\n0.354975 0.472314 0.810305 Ti\n0.852107 0.617601 0.670777 O\n0.458586 0.778061 0.297367 O\n0.528073 0.258215 0.678252 O\n0.134535 0.418675 0.304847 O\n0.163345 0.676115 0.989813 O\n0.762822 0.101982 0.364968 O\n0.823323 0.360157 0.985796 O\n0.223841 0.934287 0.610652 O\n",
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"formula_full": "Ca2 Ti4 O8",
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"spacegroup": 12
},
{
"id": "jvasp-119141",
"created_at": "2022-09-04T14:38:35.423975Z",
"updated_at": "2022-09-04T14:38:35.423993Z",
"structure_string": "Ta6 Mn1 C3 S6\n1.0\n5.683932 -0.001457 0.610632\n-2.939294 4.864940 0.610632\n0.042936 0.076082 8.528844\nTa Mn C S\n6 1 3 6\ndirect\n0.119438 0.119437 0.638487 Ta\n0.454485 0.786258 0.639994 Ta\n0.786259 0.454484 0.639994 Ta\n0.213742 0.545515 0.360006 Ta\n0.545515 0.213741 0.360006 Ta\n0.880563 0.880562 0.361512 Ta\n0.000000 0.000000 0.000000 Mn\n0.168609 0.831392 0.500000 C\n0.500000 0.500000 0.500000 C\n0.831392 0.168607 0.500000 C\n0.279471 0.279471 0.158921 S\n0.614315 0.946388 0.160679 S\n0.946389 0.614314 0.160679 S\n0.053612 0.385685 0.839321 S\n0.385686 0.053611 0.839321 S\n0.720530 0.720528 0.841079 S\n",
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"formula_full": "Ta6 Mn1 C3 S6",
"formula_reduced": "Ta6Mn(CS2)3",
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}
]
}