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{
"id": "jvasp-17452",
"created_at": "2022-09-04T14:38:15.001897Z",
"updated_at": "2022-09-04T14:38:15.001922Z",
"structure_string": "Zr2 Te2 P1\n1.0\n3.790569 0.006542 9.397978\n1.829219 3.320002 9.397978\n0.011053 0.006542 10.133620\nZr Te P\n2 2 1\ndirect\n0.617933 0.617932 0.617934 Zr\n0.382067 0.382066 0.382068 Zr\n0.220717 0.220717 0.220718 Te\n0.779283 0.779281 0.779284 Te\n0.000000 0.000000 0.000000 P\n",
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{
"id": "jvasp-109988",
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"structure_string": "Li2 Ce1 In1\n1.0\n4.276982 -0.000000 2.469317\n1.425661 4.032378 2.469317\n-0.000000 -0.000000 4.938634\nLi Ce In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.749999 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 In\n",
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{
"id": "jvasp-16562",
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"updated_at": "2022-09-04T14:38:15.003209Z",
"structure_string": "Ga1 Ag1\n1.0\n3.307766 -0.000000 -0.000000\n0.000000 3.307766 -0.000000\n0.000000 0.000000 3.307766\nGa Ag\n1 1\ndirect\n0.500001 0.500001 0.500001 Ga\n0.000000 0.000000 0.000000 Ag\n",
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"elements": [
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],
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"volume": 36.19131276485773,
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{
"id": "jvasp-47758",
"created_at": "2022-09-04T14:38:15.013288Z",
"updated_at": "2022-09-04T14:38:15.013302Z",
"structure_string": "Li1 Mn3 O6\n1.0\n0.215352 -4.922122 0.136675\n4.153693 2.649622 0.136675\n-1.692304 0.880229 4.763936\nLi Mn O\n1 3 6\ndirect\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Mn\n0.668716 0.331282 -0.000001 Mn\n0.331282 0.668716 -0.000001 Mn\n0.270558 0.270559 0.793678 O\n0.402632 0.075209 0.207720 O\n0.075209 0.402632 0.207720 O\n0.924790 0.597367 0.792279 O\n0.597367 0.924790 0.792279 O\n0.729441 0.729441 0.206321 O\n",
"nsites": 10,
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"O"
],
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"density": 4.3443728833297675,
"density_atomic": 0.09771157811057961,
"volume": 102.34201712189173,
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"formula_full": "Li1 Mn3 O6",
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"formula_anonymous": "AB3C6",
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"spacegroup": 12
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{
"id": "jvasp-29483",
"created_at": "2022-09-04T14:38:15.016412Z",
"updated_at": "2022-09-04T14:38:15.016430Z",
"structure_string": "Al4 H12 O12\n1.0\n4.750592 0.613161 0.000000\n0.628651 5.049414 0.000000\n0.000000 0.000000 8.706833\nAl H O\n4 12 12\ndirect\n0.029016 0.954581 0.666005 Al\n0.970983 0.545418 0.166005 Al\n0.970983 0.045418 0.333995 Al\n0.029016 0.454582 0.833995 Al\n0.214207 0.624737 0.458535 H\n0.394635 0.726858 0.883422 H\n0.605364 0.773141 0.383422 H\n0.388724 0.271527 0.318996 H\n0.611275 0.728472 0.681004 H\n0.388724 0.771527 0.181004 H\n0.214207 0.124738 0.041465 H\n0.785793 0.375262 0.541464 H\n0.605364 0.273141 0.116577 H\n0.785793 0.875262 0.958535 H\n0.394635 0.226859 0.616577 H\n0.611275 0.228472 0.818996 H\n0.261753 0.697946 0.802576 O\n0.821800 0.177137 0.830641 O\n0.773760 0.688029 0.981544 O\n0.178199 0.322863 0.330641 O\n0.738247 0.802053 0.302576 O\n0.738247 0.302053 0.197424 O\n0.226240 0.311970 0.018455 O\n0.226240 0.811969 0.481545 O\n0.178199 0.822862 0.169359 O\n0.261753 0.197946 0.697424 O\n0.821800 0.677137 0.669359 O\n0.773760 0.188030 0.518455 O\n",
"nsites": 28,
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"formula_full": "Al4 H12 O12",
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{
"id": "jvasp-97580",
"created_at": "2022-09-04T14:38:15.017596Z",
"updated_at": "2022-09-04T14:38:15.017621Z",
"structure_string": "Sr4 B8 S16\n1.0\n6.109535 0.000989 0.000000\n-2.277410 6.067503 0.000000\n0.000000 0.000000 14.212848\nSr B S\n4 8 16\ndirect\n0.196494 0.311986 0.102179 Sr\n0.803506 0.688014 0.897821 Sr\n0.696495 0.311986 0.397821 Sr\n0.303506 0.688014 0.602179 Sr\n0.181175 0.232372 0.772310 B\n0.318825 0.767628 0.272310 B\n0.068671 0.964912 0.415617 B\n0.681176 0.232372 0.727690 B\n0.431329 0.035087 0.915617 B\n0.931330 0.035087 0.584383 B\n0.568671 0.964912 0.084383 B\n0.818826 0.767628 0.227690 B\n0.351424 0.764154 0.992271 S\n0.502794 0.579779 0.261920 S\n0.648577 0.235846 0.007729 S\n0.851424 0.764154 0.507729 S\n0.940506 0.028767 0.303671 S\n0.559495 0.971233 0.803672 S\n0.059495 0.971232 0.696329 S\n0.328919 0.867082 0.400825 S\n0.171081 0.132918 0.900825 S\n0.828920 0.867082 0.099175 S\n0.002794 0.579779 0.238080 S\n0.997207 0.420221 0.761920 S\n0.497206 0.420220 0.738080 S\n0.148577 0.235846 0.492271 S\n0.440505 0.028767 0.196329 S\n0.671081 0.132918 0.599175 S\n",
"nsites": 28,
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"density_atomic": 0.05314132466845639,
"volume": 526.8969144952503,
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"formula_full": "Sr4 B8 S16",
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"formula_anonymous": "AB2C4",
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},
{
"id": "jvasp-47752",
"created_at": "2022-09-04T14:38:15.024009Z",
"updated_at": "2022-09-04T14:38:15.024040Z",
"structure_string": "Li4 Cr4 Si2 O12\n1.0\n5.069691 -0.028456 -0.000016\n-1.746546 4.759356 -0.000695\n-1.661434 -2.364242 8.390555\nLi Cr Si O\n4 4 2 12\ndirect\n0.311066 0.310671 0.621808 Li\n0.995580 0.995137 0.990985 Li\n0.745632 0.245217 0.490950 Li\n0.061023 0.560556 0.121819 Li\n0.482504 0.482167 0.964842 Cr\n0.824077 0.823748 0.647941 Cr\n0.232526 0.732194 0.464843 Cr\n0.574043 0.073710 0.147936 Cr\n0.653297 0.652950 0.306392 Si\n0.403289 0.902950 0.806388 Si\n0.274138 0.755335 0.965955 O\n0.960463 0.941670 0.465957 O\n0.615984 0.690240 0.806387 O\n0.505711 0.523837 0.465961 O\n0.190591 0.115657 0.806391 O\n0.096134 0.614267 0.646816 O\n0.364579 0.345773 0.146825 O\n0.865995 0.440245 0.306387 O\n0.691971 0.210104 0.965962 O\n0.440589 0.865652 0.306390 O\n0.782402 0.800541 0.146822 O\n0.550898 0.032103 0.646823 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 3.9774906891152124,
"density_atomic": 0.10889706723943204,
"volume": 202.02564272579158,
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"formula_full": "Li4 Cr4 Si2 O12",
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{
"id": "jvasp-98299",
"created_at": "2022-09-04T14:38:15.028759Z",
"updated_at": "2022-09-04T14:38:15.028786Z",
"structure_string": "H12 Cl4 O20\n1.0\n9.066630 0.000000 -0.305141\n0.000000 5.538780 0.000000\n-0.232408 0.000000 6.934856\nH Cl O\n12 4 20\ndirect\n0.161542 0.893313 0.065322 H\n0.161542 0.606687 0.065322 H\n0.285989 0.750000 0.208106 H\n0.604653 0.750000 0.403694 H\n0.686893 0.750000 0.183801 H\n0.790622 0.750000 0.407377 H\n0.882979 0.250000 0.937627 H\n0.843678 0.250000 0.685779 H\n0.706575 0.250000 0.842612 H\n0.405337 0.250000 0.629942 H\n0.217743 0.250000 0.598623 H\n0.305044 0.250000 0.831915 H\n0.564405 0.750000 0.819567 Cl\n0.060461 0.750000 0.703039 Cl\n0.944382 0.250000 0.316598 Cl\n0.425656 0.250000 0.193287 Cl\n0.077460 0.533460 0.827900 O\n0.693634 0.750000 0.331797 O\n0.182691 0.750000 0.151499 O\n0.418309 0.034996 0.314378 O\n0.924267 0.463461 0.195032 O\n0.573673 0.535873 0.696809 O\n0.077460 0.966540 0.827900 O\n0.573673 0.964127 0.696809 O\n0.418309 0.465004 0.314378 O\n0.291372 0.250000 0.054255 O\n0.428131 0.750000 0.917699 O\n0.910660 0.750000 0.611192 O\n0.557985 0.250000 0.087825 O\n0.092555 0.250000 0.412569 O\n0.693136 0.750000 0.962959 O\n0.170283 0.750000 0.562795 O\n0.812691 0.250000 0.824020 O\n0.831990 0.250000 0.461413 O\n0.924267 0.036539 0.195032 O\n0.309335 0.250000 0.685808 O\n",
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"spacegroup": 6
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{
"id": "jvasp-11478",
"created_at": "2022-09-04T14:38:15.040121Z",
"updated_at": "2022-09-04T14:38:15.040147Z",
"structure_string": "Ho2 V2 O8\n1.0\n5.710943 0.002853 -1.670361\n-3.206705 4.725667 -1.670361\n-0.001511 -0.002853 5.950209\nHo V O\n2 2 8\ndirect\n0.125000 0.875002 0.250000 Ho\n0.875000 0.125000 0.750000 Ho\n0.374999 0.625000 0.749999 V\n0.624999 0.374999 0.249999 V\n0.800430 0.736238 0.435806 O\n0.364623 0.800432 0.564194 O\n0.736238 0.800432 0.935808 O\n0.800430 0.364624 0.064193 O\n0.635377 0.199570 0.435807 O\n0.199569 0.263764 0.564193 O\n0.263762 0.199570 0.064193 O\n0.199570 0.635378 0.935808 O\n",
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{
"id": "jvasp-18051",
"created_at": "2022-09-04T14:38:15.041857Z",
"updated_at": "2022-09-04T14:38:15.041876Z",
"structure_string": "Pu2 Ga6\n1.0\n3.132225 -5.425172 0.000000\n3.132225 5.425172 -0.000000\n-0.000000 -0.000000 4.572774\nPu Ga\n2 6\ndirect\n0.666668 0.333334 0.749999 Pu\n0.333334 0.666668 0.250000 Pu\n0.152191 0.847811 0.749999 Ga\n0.304381 0.152190 0.250000 Ga\n0.847811 0.152191 0.250000 Ga\n0.695621 0.847811 0.749999 Ga\n0.152190 0.304381 0.749999 Ga\n0.847811 0.695621 0.250000 Ga\n",
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{
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"updated_at": "2022-09-04T14:38:15.042894Z",
"structure_string": "Cu6 Sn2\n1.0\n2.815269 -4.876189 -0.000000\n2.815269 4.876189 0.000000\n-0.000000 0.000000 4.302740\nCu Sn\n6 2\ndirect\n0.154306 0.845694 0.250000 Cu\n0.845694 0.691389 0.750000 Cu\n0.308612 0.154306 0.750000 Cu\n0.691389 0.845694 0.250000 Cu\n0.154306 0.308612 0.250000 Cu\n0.845694 0.154306 0.750000 Cu\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n",
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{
"id": "jvasp-12753",
"created_at": "2022-09-04T14:38:15.043800Z",
"updated_at": "2022-09-04T14:38:15.043829Z",
"structure_string": "P10 Au7 I1\n1.0\n3.132558 -5.425749 -0.000000\n3.132558 5.425749 0.000000\n0.000000 -0.000000 11.366409\nP Au I\n10 7 1\ndirect\n0.666667 0.333333 0.294557 P\n0.666667 0.333333 0.705443 P\n0.333333 0.666667 0.705443 P\n0.374928 0.374928 0.797084 P\n0.625073 0.000000 0.202916 P\n0.333333 0.666667 0.294557 P\n0.000000 0.625073 0.797084 P\n0.625073 0.000000 0.797084 P\n0.374928 0.374928 0.202916 P\n0.000000 0.625073 0.202916 P\n0.452014 0.452014 0.000000 Au\n0.333333 0.666667 0.500000 Au\n0.000000 0.000000 0.770879 Au\n0.666667 0.333333 0.500000 Au\n0.000000 0.000000 0.229121 Au\n0.000000 0.547986 0.000000 Au\n0.547986 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 I\n",
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"volume": 386.37773726110413,
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"formula_full": "P10 Au7 I1",
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"spacegroup": 189
}
]
}