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{
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"results": [
{
"id": "jvasp-110843",
"created_at": "2022-09-04T14:38:37.218982Z",
"updated_at": "2022-09-04T14:38:37.219010Z",
"structure_string": "Pm2 Cd1 Hg1\n1.0\n4.654132 -0.000000 2.687065\n1.551377 4.387958 2.687065\n-0.000000 -0.000000 5.374129\nPm Cd Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.749999 Pm\n0.500000 0.500000 0.499999 Cd\n0.000000 0.000000 0.000000 Hg\n",
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{
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"structure_string": "Ta12 Br28\n1.0\n9.721299 0.013872 0.000000\n-0.617874 9.701654 -0.000000\n0.000000 -0.000000 11.636146\nTa Br\n12 28\ndirect\n0.546602 0.337296 0.107850 Ta\n0.374084 0.374083 0.911016 Ta\n0.874084 0.874083 0.588984 Ta\n0.625917 0.625916 0.088984 Ta\n0.337296 0.546602 0.107850 Ta\n0.125916 0.125916 0.411016 Ta\n0.046602 0.837295 0.392150 Ta\n0.453398 0.662704 0.892151 Ta\n0.662704 0.453398 0.892151 Ta\n0.837296 0.046602 0.392150 Ta\n0.162705 0.953398 0.607850 Ta\n0.953398 0.162704 0.607850 Ta\n0.719756 0.470091 0.247800 Br\n0.470092 0.719755 0.247800 Br\n0.029908 0.780244 0.747801 Br\n0.219756 0.970091 0.252200 Br\n0.280245 0.529908 0.752200 Br\n0.529908 0.280244 0.752200 Br\n0.970092 0.219755 0.252200 Br\n0.780245 0.029908 0.747801 Br\n0.106720 0.606720 0.250000 Br\n0.743782 0.256217 0.500000 Br\n0.393280 0.893280 0.750000 Br\n0.893280 0.393280 0.750000 Br\n0.606720 0.106720 0.250000 Br\n0.137950 0.388716 0.013473 Br\n0.362050 0.111283 0.513473 Br\n0.888717 0.637949 0.486527 Br\n0.611284 0.862050 0.986527 Br\n0.243783 0.756217 0.000000 Br\n0.862051 0.611283 0.986527 Br\n0.111284 0.362050 0.513473 Br\n0.388717 0.137950 0.013473 Br\n0.358874 0.358874 0.270393 Br\n0.141126 0.141126 0.770393 Br\n0.858874 0.858874 0.229608 Br\n0.641126 0.641126 0.729608 Br\n0.756218 0.243782 0.000000 Br\n0.637950 0.888716 0.486527 Br\n0.256218 0.743782 0.500000 Br\n",
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"volume_molar": 16.523788315879532,
"formula_full": "Ta12 Br28",
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},
{
"id": "jvasp-100750",
"created_at": "2022-09-04T14:36:53.894281Z",
"updated_at": "2022-09-04T14:36:53.894302Z",
"structure_string": "Pm1 Zr1\n1.0\n3.378397 -0.000000 0.000000\n-1.689199 2.925778 0.000000\n-0.000000 -0.000000 5.552002\nPm Zr\n1 1\ndirect\n0.333334 0.666667 0.500000 Pm\n0.000000 0.000000 0.000000 Zr\n",
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"elements": [
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"volume": 54.87842852727127,
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{
"id": "jvasp-90577",
"created_at": "2022-09-04T14:35:59.218775Z",
"updated_at": "2022-09-04T14:35:59.218795Z",
"structure_string": "Mg2 Sb6\n1.0\n3.283238 0.000000 0.000000\n0.000000 10.551991 0.000000\n0.000000 0.000000 6.336156\nMg Sb\n2 6\ndirect\n0.000000 0.000000 0.265482 Mg\n0.500000 0.500000 0.765482 Mg\n0.500000 0.000000 0.853902 Sb\n0.000000 0.307854 0.023642 Sb\n0.500000 0.192146 0.523642 Sb\n0.000000 0.500000 0.353902 Sb\n0.500000 0.807854 0.523642 Sb\n0.000000 0.692146 0.023642 Sb\n",
"nsites": 8,
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"elements": [
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"density": 5.894116032397757,
"density_atomic": 0.036444109927372355,
"volume": 219.51421000383328,
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"formula_full": "Mg2 Sb6",
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},
{
"id": "jvasp-28695",
"created_at": "2022-09-04T14:38:11.562779Z",
"updated_at": "2022-09-04T14:38:11.562810Z",
"structure_string": "Te2 Mo2 W2 Se2 S4\n1.0\n3.312071 -0.000000 0.000000\n-1.656034 2.868301 -0.000026\n0.000000 -0.000349 34.660863\nTe Mo W Se S\n2 2 2 2 4\ndirect\n0.333358 0.666716 0.717829 Te\n0.333336 0.666673 0.607446 Te\n0.333322 0.666642 0.099005 Mo\n0.666676 0.333352 0.662676 Mo\n0.333340 0.666679 0.461539 W\n0.666682 0.333363 0.279718 W\n0.666668 0.333334 0.412912 Se\n0.666638 0.333275 0.510178 Se\n0.333353 0.666707 0.324002 S\n0.666616 0.333229 0.054989 S\n0.666662 0.333322 0.143070 S\n0.333353 0.666706 0.235385 S\n",
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"volume": 329.2787725013576,
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"formula_full": "Te2 Mo2 W2 Se2 S4",
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{
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"created_at": "2022-09-04T14:38:38.250416Z",
"updated_at": "2022-09-04T14:38:38.250427Z",
"structure_string": "Ce3 Se6\n1.0\n4.883638 -0.000014 -0.000002\n-2.441831 4.229430 -0.000056\n-0.000003 -0.000155 11.956623\nCe Se\n3 6\ndirect\n0.666727 -0.000000 0.000011 Ce\n0.333282 0.333279 0.333343 Ce\n0.000009 0.666721 0.666676 Ce\n0.333382 0.333352 0.083309 Se\n-0.000018 0.666640 0.416642 Se\n0.666672 0.000039 0.749976 Se\n0.000029 0.666645 0.916714 Se\n0.333346 0.333363 0.583380 Se\n0.666624 -0.000039 0.250048 Se\n",
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"elements": [
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"density_atomic": 0.03644260271992289,
"volume": 246.9636998534073,
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{
"id": "jvasp-39870",
"created_at": "2022-09-04T14:37:50.683525Z",
"updated_at": "2022-09-04T14:37:50.683559Z",
"structure_string": "Ac2 Ir1 Au1\n1.0\n0.000001 3.800209 3.800206\n3.800209 -0.000001 3.800209\n3.800207 3.800209 0.000001\nAc Ir Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ac\n0.500000 0.500000 0.500000 Ac\n0.750000 0.750000 0.750000 Ir\n0.250001 0.250001 0.250001 Au\n",
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"formula_full": "Ac2 Ir1 Au1",
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{
"id": "jvasp-14179",
"created_at": "2022-09-04T14:37:27.649155Z",
"updated_at": "2022-09-04T14:37:27.649176Z",
"structure_string": "Er2 Mg1\n1.0\n3.335805 0.000000 -0.955804\n-0.273866 3.324544 -0.955804\n0.273224 0.296656 7.252527\nEr Mg\n2 1\ndirect\n0.663737 0.663737 0.327475 Er\n0.336262 0.336263 0.672526 Er\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 3,
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"elements": [
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],
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"volume": 82.32244973468791,
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{
"id": "jvasp-117543",
"created_at": "2022-09-04T14:38:51.678275Z",
"updated_at": "2022-09-04T14:38:51.678301Z",
"structure_string": "Ba1 C2\n1.0\n4.901971 0.000000 -0.134168\n0.000000 4.161803 0.000000\n-0.407103 0.000000 4.046417\nBa C\n1 2\ndirect\n0.466663 0.000000 -0.199989 Ba\n-0.146891 0.000000 -0.643984 C\n0.080228 0.000000 0.243972 C\n",
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"density": 3.2545310601077824,
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"volume": 82.32378692509093,
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{
"id": "jvasp-27801",
"created_at": "2022-09-04T14:37:08.093913Z",
"updated_at": "2022-09-04T14:37:08.093930Z",
"structure_string": "Ta12 Br28\n1.0\n9.721871 0.014116 0.000000\n-0.617668 9.702240 0.000000\n0.000000 0.000000 11.636650\nTa Br\n12 28\ndirect\n0.546616 0.337314 0.107857 Ta\n0.374091 0.374092 0.911043 Ta\n0.874091 0.874092 0.588957 Ta\n0.625908 0.625909 0.088957 Ta\n0.337314 0.546616 0.107857 Ta\n0.125908 0.125909 0.411043 Ta\n0.046616 0.837314 0.392143 Ta\n0.453384 0.662686 0.892143 Ta\n0.662686 0.453384 0.892143 Ta\n0.837314 0.046617 0.392143 Ta\n0.162686 0.953384 0.607857 Ta\n0.953384 0.162686 0.607857 Ta\n0.719784 0.470118 0.247767 Br\n0.470118 0.719784 0.247767 Br\n0.029882 0.780216 0.747767 Br\n0.219784 0.970118 0.252233 Br\n0.280216 0.529882 0.752233 Br\n0.529882 0.280216 0.752233 Br\n0.970118 0.219785 0.252233 Br\n0.780216 0.029882 0.747767 Br\n0.106763 0.606763 0.250000 Br\n0.743789 0.256211 0.500000 Br\n0.393236 0.893237 0.750000 Br\n0.893236 0.393237 0.750000 Br\n0.606763 0.106764 0.250000 Br\n0.137975 0.388728 0.013503 Br\n0.362025 0.111273 0.513503 Br\n0.888727 0.637975 0.486497 Br\n0.611272 0.862025 0.986497 Br\n0.243789 0.756211 0.000000 Br\n0.862025 0.611273 0.986497 Br\n0.111272 0.362025 0.513503 Br\n0.388728 0.137975 0.013503 Br\n0.358903 0.358903 0.270393 Br\n0.141097 0.141097 0.770393 Br\n0.858903 0.858904 0.229607 Br\n0.641097 0.641097 0.729607 Br\n0.756210 0.243790 0.000000 Br\n0.637975 0.888728 0.486497 Br\n0.256210 0.743790 0.500000 Br\n",
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"formula_full": "Ta12 Br28",
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{
"id": "jvasp-114785",
"created_at": "2022-09-04T14:38:43.190514Z",
"updated_at": "2022-09-04T14:38:43.190539Z",
"structure_string": "Na1 Sn1 Cl1\n1.0\n5.443300 0.000000 0.000000\n-2.721650 4.714036 -0.000000\n-0.000000 0.000000 3.208514\nNa Sn Cl\n1 1 1\ndirect\n0.333333 0.666666 0.000000 Na\n0.666666 0.333333 0.000000 Sn\n0.000000 0.000000 0.000000 Cl\n",
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{
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"created_at": "2022-09-04T14:38:03.993798Z",
"updated_at": "2022-09-04T14:38:03.993830Z",
"structure_string": "Bi7 S9 Cl3\n1.0\n11.240537 -2.982896 0.000000\n-7.820515 13.535412 0.000000\n0.000000 0.000000 4.047903\nBi S Cl\n7 9 3\ndirect\n0.086407 0.661374 0.250000 Bi\n0.354296 0.549911 0.250000 Bi\n0.631931 0.917563 0.250000 Bi\n0.302539 0.973221 0.749999 Bi\n0.782199 0.698197 0.749999 Bi\n0.084768 0.114760 0.749999 Bi\n0.816363 0.279284 0.749999 Bi\n0.898056 0.942601 0.250000 S\n0.587922 0.544351 0.250000 S\n0.797198 0.081890 0.749999 S\n0.080711 0.834394 0.250000 S\n0.334625 0.805378 0.749999 S\n0.347058 0.163629 0.749999 S\n0.113365 0.482247 0.749999 S\n0.861487 0.573861 0.749999 S\n0.544068 0.719806 0.749999 S\n0.761563 0.365308 0.250000 Cl\n0.555609 0.076832 0.250000 Cl\n0.163388 0.294433 0.250000 Cl\n",
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"chemical_system": "Bi-Cl-S",
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}