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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4551",
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"results": [
{
"id": "jvasp-112615",
"created_at": "2022-09-04T14:38:41.812433Z",
"updated_at": "2022-09-04T14:38:41.812449Z",
"structure_string": "Zr2 Ti1 Pb3 O9\n1.0\n9.147398 -0.028302 0.051510\n-7.301320 5.510574 0.051510\n-0.007504 -0.022286 4.229672\nZr Ti Pb O\n2 1 3 9\ndirect\n0.354975 0.686506 0.030490 Zr\n0.686506 0.354976 0.030490 Zr\n0.017955 0.017955 0.051471 Ti\n0.205797 0.890116 0.584577 Pb\n0.535852 0.535852 0.593532 Pb\n0.890118 0.205797 0.584577 Pb\n0.328668 0.169501 0.972358 O\n0.691285 0.850049 0.972151 O\n0.998775 0.486595 0.978776 O\n0.486595 0.998773 0.978776 O\n0.850050 0.691284 0.972151 O\n0.169502 0.328667 0.972358 O\n0.652287 0.332825 0.506231 O\n0.009145 0.009145 0.476166 O\n0.332825 0.652286 0.506231 O\n",
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{
"id": "jvasp-116997",
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"structure_string": "Zr3 Ti2 Pb5 O15\n1.0\n14.622119 -0.021248 0.167888\n13.507183 5.600253 0.167888\n-0.047649 -0.009450 4.277183\nZr Ti Pb O\n3 2 5 15\ndirect\n0.110952 0.110952 0.529232 Zr\n0.903573 0.903571 0.529205 Zr\n0.507264 0.507263 0.526715 Zr\n0.709605 0.709604 0.518076 Ti\n0.304888 0.304888 0.518075 Ti\n0.007127 0.007127 0.963683 Pb\n0.610856 0.610855 0.968174 Pb\n0.210485 0.210485 0.974519 Pb\n0.803881 0.803880 0.974586 Pb\n0.403404 0.403403 0.968261 Pb\n0.507353 0.007263 0.605702 O\n0.898515 0.424602 0.601451 O\n0.306536 0.811211 0.600166 O\n0.203176 0.708321 0.600156 O\n0.589852 0.116260 0.601472 O\n0.007263 0.507353 0.605702 O\n0.304048 0.304048 0.102167 O\n0.811212 0.306536 0.600166 O\n0.507349 0.507348 0.061519 O\n0.902755 0.902753 0.062858 O\n0.116260 0.589852 0.601472 O\n0.710598 0.710597 0.102160 O\n0.111927 0.111927 0.062876 O\n0.424603 0.898514 0.601451 O\n0.708321 0.203176 0.600156 O\n",
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{
"id": "jvasp-119120",
"created_at": "2022-09-04T14:38:49.994372Z",
"updated_at": "2022-09-04T14:38:49.994390Z",
"structure_string": "Zr3 Ti1 Pb4 O12\n1.0\n5.815686 0.000297 -0.002137\n-2.908688 4.779739 -1.690400\n-0.000184 -0.012282 10.101679\nZr Ti Pb O\n3 1 4 12\ndirect\n0.355426 0.706166 0.116193 Zr\n0.853650 0.708956 0.621580 Zr\n0.106667 0.213012 0.369600 Zr\n0.600062 0.200293 0.867164 Ti\n0.204258 0.418120 0.746732 Pb\n0.708354 0.411016 0.227075 Pb\n0.465384 0.921594 0.493802 Pb\n0.948923 0.899633 0.982062 Pb\n0.768690 -0.000151 0.216812 O\n0.271835 -0.002358 0.732468 O\n0.971505 0.494546 0.469449 O\n0.491150 0.487200 0.971993 O\n0.463203 -0.000254 0.994717 O\n0.286667 0.002109 0.266104 O\n0.964750 0.488723 0.010604 O\n0.459848 0.506969 0.527005 O\n0.782276 0.481855 0.754447 O\n0.769546 0.004570 0.773882 O\n0.947391 -0.000736 0.508338 O\n0.303836 0.505550 0.257772 O\n",
"nsites": 20,
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"formula_full": "Zr3 Ti1 Pb4 O12",
"formula_reduced": "Zr3Ti(PbO3)4",
"formula_anonymous": "AB3C4D12",
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"spacegroup": 1
},
{
"id": "jvasp-101073",
"created_at": "2022-09-04T14:37:04.416016Z",
"updated_at": "2022-09-04T14:37:04.416042Z",
"structure_string": "Zr1 Ti1 Pb2 O6\n1.0\n4.174010 0.008779 0.018667\n0.101384 4.169512 0.031335\n-0.027695 -0.051703 8.008409\nZr Ti Pb O\n1 1 2 6\ndirect\n0.531625 0.542600 0.269991 Zr\n0.506877 0.517684 0.770064 Ti\n0.979660 0.991197 0.008177 Pb\n0.979677 0.990933 0.527611 Pb\n0.048169 0.585257 0.272068 O\n0.068052 0.577515 0.771205 O\n0.575431 0.585420 0.008223 O\n0.575123 0.585254 0.533167 O\n0.575370 0.058622 0.271977 O\n0.567416 0.078123 0.771215 O\n",
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"formula_full": "Zr1 Ti1 Pb2 O6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 38
},
{
"id": "jvasp-101440",
"created_at": "2022-09-04T14:36:32.045125Z",
"updated_at": "2022-09-04T14:36:32.045154Z",
"structure_string": "Zr1 Ti1 Pb2 O6\n1.0\n4.997289 -0.009077 2.961506\n1.683077 4.705340 2.961506\n-0.012912 -0.009077 5.808893\nZr Ti Pb O\n1 1 2 6\ndirect\n0.012374 0.012374 0.012374 Zr\n0.512536 0.512534 0.512535 Ti\n0.778111 0.778109 0.778111 Pb\n0.280497 0.280496 0.280497 Pb\n0.744696 0.744694 0.245306 O\n0.259546 0.259544 0.730477 O\n0.245306 0.744694 0.744695 O\n0.730478 0.259544 0.259546 O\n0.744696 0.245304 0.744695 O\n0.259546 0.730477 0.259545 O\n",
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"density_atomic": 0.07302036663485936,
"volume": 136.94809353677056,
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"formula_full": "Zr1 Ti1 Pb2 O6",
"formula_reduced": "ZrTi(PbO3)2",
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"spacegroup": 160
},
{
"id": "jvasp-112612",
"created_at": "2022-09-04T14:38:41.802392Z",
"updated_at": "2022-09-04T14:38:41.802410Z",
"structure_string": "Zr1 Ti4 Pb5 O15\n1.0\n14.242885 0.001892 0.000000\n-13.148967 5.473978 0.000000\n0.000000 0.000000 4.288694\nZr Ti Pb O\n1 4 5 15\ndirect\n0.500000 0.500000 0.547537 Zr\n0.102502 0.897498 0.535671 Ti\n0.897497 0.102502 0.535671 Ti\n0.299037 0.700963 0.537347 Ti\n0.700962 0.299037 0.537347 Ti\n0.603006 0.396993 0.995569 Pb\n0.000000 0.000000 0.992888 Pb\n0.396993 0.603006 0.995569 Pb\n0.799565 0.200434 0.996938 Pb\n0.200434 0.799566 0.996938 Pb\n0.299625 0.700375 0.122176 O\n0.896837 0.103162 0.120856 O\n0.700374 0.299625 0.122176 O\n0.293027 0.187233 0.620643 O\n0.899758 0.596659 0.624215 O\n0.100241 0.403341 0.624215 O\n0.000000 0.500000 0.621406 O\n0.500000 -0.000000 0.621406 O\n0.187233 0.293027 0.620643 O\n0.812766 0.706973 0.620643 O\n0.103163 0.896838 0.120856 O\n0.596659 0.899759 0.624215 O\n0.403341 0.100241 0.624215 O\n0.706973 0.812767 0.620643 O\n0.500000 0.500000 0.081701 O\n",
"nsites": 25,
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"formula_full": "Zr1 Ti4 Pb5 O15",
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},
{
"id": "jvasp-57158",
"created_at": "2022-09-04T14:37:32.164441Z",
"updated_at": "2022-09-04T14:37:32.164473Z",
"structure_string": "Zr2 Tl2 Cd2 F14\n1.0\n6.561040 0.028554 -0.000000\n-2.966624 5.852111 -0.000000\n0.000000 -0.000000 8.578411\nZr Tl Cd F\n2 2 2 14\ndirect\n0.192455 0.807545 0.250000 Zr\n0.807545 0.192454 0.750000 Zr\n0.500000 0.500000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n0.807647 0.192352 0.250000 Cd\n0.192353 0.807647 0.750000 Cd\n0.172241 0.474241 0.250000 F\n0.202807 0.797193 0.486461 F\n0.525759 0.827759 0.250000 F\n0.564193 0.845014 0.750000 F\n0.474241 0.172240 0.750000 F\n0.827759 0.525758 0.750000 F\n0.154986 0.435807 0.750000 F\n0.797193 0.202807 0.513539 F\n0.009223 0.990778 0.250000 F\n0.435807 0.154986 0.250000 F\n0.845014 0.564192 0.250000 F\n0.797193 0.202807 0.986461 F\n0.202807 0.797193 0.013539 F\n0.990777 0.009222 0.750000 F\n",
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"elements": [
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],
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"density": 5.442931914338443,
"density_atomic": 0.06058719153485542,
"volume": 330.1027740903641,
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"formula_full": "Zr2 Tl2 Cd2 F14",
"formula_reduced": "ZrTlCdF7",
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"spacegroup": 63
},
{
"id": "jvasp-10077",
"created_at": "2022-09-04T14:38:06.665944Z",
"updated_at": "2022-09-04T14:38:06.665963Z",
"structure_string": "Zr2 Tl2 Cu2 S6\n1.0\n3.735856 0.000000 0.000000\n-1.867928 7.048835 0.000000\n0.000000 -0.000000 9.814151\nZr Tl Cu S\n2 2 2 6\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.255911 0.511824 0.250000 Tl\n0.744089 0.488176 0.750000 Tl\n0.460412 0.920825 0.750000 Cu\n0.539588 0.079175 0.250000 Cu\n0.376127 0.752253 0.549088 S\n0.623874 0.247746 0.450912 S\n0.623874 0.247746 0.049088 S\n0.061687 0.123374 0.750000 S\n0.938314 0.876625 0.250000 S\n0.376127 0.752253 0.950912 S\n",
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"formula_full": "Zr2 Tl2 Cu2 S6",
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},
{
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"created_at": "2022-09-04T14:38:45.721010Z",
"updated_at": "2022-09-04T14:38:45.721041Z",
"structure_string": "Zr3 Tl2 Cu2 Se8\n1.0\n6.924392 -0.028976 2.990662\n5.870316 3.672523 2.990662\n-0.151325 -0.043093 14.447705\nZr Tl Cu Se\n3 2 2 8\ndirect\n0.000000 0.000000 0.000000 Zr\n0.843146 0.843143 0.380182 Zr\n0.156856 0.156855 0.619817 Zr\n0.834305 0.834302 0.799844 Tl\n0.165697 0.165697 0.200155 Tl\n0.457177 0.457175 0.197613 Cu\n0.542825 0.542823 0.802386 Cu\n0.853070 0.853067 0.189526 Se\n0.146932 0.146932 0.810473 Se\n0.801261 0.801259 0.580787 Se\n0.198741 0.198740 0.419213 Se\n0.482091 0.482089 0.355064 Se\n0.517911 0.517910 0.644935 Se\n0.609941 0.609939 0.042507 Se\n0.390061 0.390060 0.957492 Se\n",
"nsites": 15,
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},
{
"id": "jvasp-86959",
"created_at": "2022-09-04T14:35:56.737181Z",
"updated_at": "2022-09-04T14:35:56.737206Z",
"structure_string": "Zr2 Tl2 Cu2 Se6\n1.0\n3.876732 0.000000 0.000000\n-1.938366 7.297894 0.000000\n0.000000 -0.000000 10.202380\nZr Tl Cu Se\n2 2 2 6\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.250284 0.500567 0.250000 Tl\n0.749715 0.499432 0.750000 Tl\n0.462612 0.925224 0.750000 Cu\n0.537387 0.074775 0.250000 Cu\n0.627465 0.254931 0.049293 Se\n0.372534 0.745068 0.950707 Se\n0.372534 0.745068 0.549293 Se\n0.627465 0.254931 0.450707 Se\n0.067073 0.134146 0.750000 Se\n0.932925 0.865853 0.250000 Se\n",
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},
{
"id": "jvasp-22886",
"created_at": "2022-09-04T14:38:16.047473Z",
"updated_at": "2022-09-04T14:38:16.047497Z",
"structure_string": "Zr6 Tl4 O2 F24\n1.0\n7.247334 -0.028820 8.212552\n3.085982 6.557545 8.212552\n-0.045615 -0.028820 10.952980\nZr Tl O F\n6 4 2 24\ndirect\n0.576145 0.029651 0.576144 Zr\n0.576144 0.576144 0.029651 Zr\n0.029652 0.576144 0.576144 Zr\n0.970349 0.423855 0.423856 Zr\n0.423856 0.970348 0.423856 Zr\n0.423856 0.423855 0.970349 Zr\n0.000000 0.000000 0.000000 Tl\n0.138244 0.138244 0.138244 Tl\n0.861756 0.861756 0.861756 Tl\n0.500000 0.500000 0.500000 Tl\n0.712552 0.712551 0.712552 O\n0.287448 0.287448 0.287448 O\n0.000000 0.351753 0.648246 F\n0.706303 0.706303 0.371070 F\n0.706304 0.371070 0.706303 F\n0.371071 0.706303 0.706303 F\n0.628930 0.293696 0.293697 F\n0.293697 0.293696 0.628929 F\n0.293697 0.628929 0.293697 F\n0.910758 0.910758 0.403114 F\n0.403114 0.910758 0.910758 F\n0.596886 0.089242 0.089242 F\n0.351754 0.648246 0.000000 F\n0.089242 0.089242 0.596886 F\n0.650947 0.650947 0.081294 F\n0.650947 0.081294 0.650947 F\n0.081294 0.650947 0.650947 F\n0.918706 0.349053 0.349053 F\n0.910758 0.403114 0.910758 F\n0.349053 0.918705 0.349053 F\n0.351754 0.000000 0.648246 F\n0.000000 0.648246 0.351754 F\n0.648246 0.351753 0.000000 F\n0.648246 0.000000 0.351754 F\n0.089242 0.596886 0.089242 F\n0.349053 0.349053 0.918706 F\n",
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},
{
"id": "jvasp-119642",
"created_at": "2022-09-04T14:38:52.090522Z",
"updated_at": "2022-09-04T14:38:52.090550Z",
"structure_string": "Zr2 V2 Cu2 S8\n1.0\n6.265306 -0.011807 -3.511659\n-2.140657 5.858715 -3.560758\n0.028583 0.011807 7.182270\nZr V Cu S\n2 2 2 8\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.000000 0.500000 Zr\n-0.000000 0.000000 0.500000 V\n-0.000000 0.500000 0.000000 V\n0.382785 0.632786 0.750000 Cu\n0.617215 0.367215 0.250000 Cu\n0.244017 0.745146 0.001128 S\n0.244017 0.242890 0.498872 S\n0.224555 0.745855 0.478701 S\n0.767153 0.745855 0.021299 S\n0.755983 0.254855 -0.001128 S\n0.755983 0.757111 0.501128 S\n0.775445 0.254146 0.521299 S\n0.232846 0.254146 0.978701 S\n",
"nsites": 14,
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],
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"formula_anonymous": "ABCD4",
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"spacegroup": 74
}
]
}