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{
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{
"id": "oqmd-692207",
"created_at": "2022-09-04T15:17:40.567886Z",
"updated_at": "2022-09-04T15:17:40.567896Z",
"structure_string": "Ta2 Tl2 O5\n1.0\n-2.790165 4.483757 -0.106345\n2.761136 4.466574 -0.205190\n0.097612 3.174488 -6.412293\nO Ta Tl\n5 2 2\ndirect\n0.399697 0.901077 0.196032 O\n0.952375 0.440396 0.199346 O\n0.636102 0.078133 0.808438 O\n0.055516 0.515103 0.810466 O\n0.474781 0.662629 0.822622 O\n0.678912 0.649575 0.012433 Ta\n0.344943 0.321686 0.985633 Ta\n0.830089 0.895187 0.375390 Tl\n0.138429 0.167180 0.587058 Tl\n",
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{
"id": "oqmd-692238",
"created_at": "2022-09-04T15:17:40.670819Z",
"updated_at": "2022-09-04T15:17:40.670839Z",
"structure_string": "Yb4 Ir4 O11\n1.0\n5.154466 -0.025730 0.014284\n-0.028668 5.654791 -0.026246\n0.021060 -0.034438 7.546465\nIr O Yb\n4 11 4\ndirect\n0.982388 0.488786 0.000172 Ir\n0.518890 0.016614 0.000801 Ir\n0.992022 0.497397 0.499701 Ir\n0.501437 0.001886 0.501580 Ir\n0.824883 0.810008 0.049477 O\n0.106618 0.454558 0.249420 O\n0.397016 0.959257 0.249869 O\n0.677451 0.306465 0.432829 O\n0.814068 0.802969 0.440407 O\n0.312634 0.694914 0.556584 O\n0.175153 0.190310 0.557342 O\n0.625842 0.056088 0.750142 O\n0.872453 0.537825 0.750666 O\n0.189374 0.194943 0.952331 O\n0.329994 0.688046 0.957287 O\n0.521292 0.578898 0.238450 Yb\n0.989120 0.066090 0.253087 Yb\n0.455251 0.429111 0.744823 Yb\n0.034172 0.918271 0.759129 Yb\n",
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"formula_full": "Yb4 Ir4 O11",
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{
"id": "oqmd-692191",
"created_at": "2022-09-04T15:17:40.769756Z",
"updated_at": "2022-09-04T15:17:40.769774Z",
"structure_string": "Sr4 Pt4 O11\n1.0\n5.639926 0.027962 0.034157\n0.029184 5.666861 -0.037013\n0.049056 -0.051347 7.901793\nO Pt Sr\n11 4 4\ndirect\n0.794405 0.793640 0.045542 O\n0.085009 0.467470 0.248560 O\n0.423980 0.988808 0.250882 O\n0.704366 0.293149 0.443263 O\n0.798014 0.793740 0.451602 O\n0.298888 0.702070 0.538500 O\n0.199167 0.201765 0.548457 O\n0.598518 0.034277 0.750994 O\n0.896833 0.515137 0.751857 O\n0.210596 0.209653 0.952253 O\n0.289175 0.715115 0.976570 O\n0.994359 0.495261 0.499677 Pt\n0.503920 0.003651 0.501135 Pt\n0.987620 0.488640 0.999429 Pt\n0.512888 0.010861 0.999840 Pt\n0.505551 0.552971 0.244484 Sr\n0.008156 0.031438 0.249169 Sr\n0.474721 0.459846 0.747640 Sr\n0.015281 0.944626 0.755257 Sr\n",
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"spacegroup": 1
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{
"id": "oqmd-692111",
"created_at": "2022-09-04T15:17:40.567528Z",
"updated_at": "2022-09-04T15:17:40.567555Z",
"structure_string": "Pm4 Rh4 O11\n1.0\n5.322173 -0.041499 0.035246\n-0.045513 5.805291 -0.016535\n0.050939 -0.021988 7.741493\nO Pm Rh\n11 4 4\ndirect\n0.824040 0.808983 0.052550 O\n0.112886 0.460049 0.249282 O\n0.397996 0.962842 0.251691 O\n0.681114 0.302504 0.427547 O\n0.809624 0.798877 0.439515 O\n0.175228 0.190519 0.555151 O\n0.310449 0.697170 0.558668 O\n0.627690 0.052521 0.749042 O\n0.870573 0.536129 0.751730 O\n0.190222 0.196950 0.948037 O\n0.324278 0.691143 0.956501 O\n0.525363 0.583328 0.239477 Pm\n0.991062 0.069090 0.253671 Pm\n0.459459 0.424692 0.744595 Pm\n0.028534 0.916286 0.760158 Pm\n0.977333 0.484130 0.002574 Rh\n0.520450 0.019619 0.002939 Rh\n0.991508 0.496679 0.499233 Rh\n0.500951 0.001896 0.501532 Rh\n",
"nsites": 19,
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{
"id": "oqmd-692095",
"created_at": "2022-09-04T15:17:40.569221Z",
"updated_at": "2022-09-04T15:17:40.569241Z",
"structure_string": "Sr2 Pb2 O5\n1.0\n-3.156608 5.314520 -0.085654\n2.877682 5.145420 -0.325945\n0.126281 3.713801 -5.187340\nO Pb Sr\n5 2 2\ndirect\n0.004175 0.580030 0.182254 O\n0.286502 0.971454 0.261878 O\n0.497515 0.687636 0.745107 O\n0.063169 0.451737 0.749087 O\n0.683348 0.054641 0.763877 O\n0.633483 0.626596 0.104864 Pb\n0.330181 0.363710 0.917013 Pb\n0.870529 0.864780 0.408760 Sr\n0.103763 0.103317 0.635523 Sr\n",
"nsites": 9,
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"density_atomic": 0.05671571086665604,
"volume": 158.686188755702,
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"formula_full": "Sr2 Pb2 O5",
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"formula_anonymous": "A2B2C5",
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"spacegroup": 1
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{
"id": "oqmd-692109",
"created_at": "2022-09-04T15:17:40.687325Z",
"updated_at": "2022-09-04T15:17:40.687339Z",
"structure_string": "Pm4 Pd4 O11\n1.0\n5.450208 0.030120 0.013048\n0.032458 6.017622 -0.001401\n0.018534 -0.002003 7.549270\nO Pd Pm\n11 4 4\ndirect\n0.825143 0.810751 0.057311 O\n0.117204 0.448897 0.249368 O\n0.390617 0.961192 0.252357 O\n0.681705 0.306303 0.422071 O\n0.814059 0.803244 0.447613 O\n0.307303 0.694583 0.544476 O\n0.175636 0.184869 0.555955 O\n0.857760 0.544912 0.752374 O\n0.645048 0.068959 0.754205 O\n0.333968 0.677169 0.946262 O\n0.183000 0.192390 0.949945 O\n0.973051 0.485022 0.004099 Pd\n0.518732 0.022415 0.004516 Pd\n0.989368 0.493315 0.500010 Pd\n0.507373 0.004519 0.505843 Pd\n0.511775 0.595133 0.240186 Pm\n0.987758 0.070685 0.259015 Pm\n0.457174 0.423995 0.738820 Pm\n0.037207 0.905695 0.760114 Pm\n",
"nsites": 19,
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{
"id": "oqmd-24846",
"created_at": "2022-09-04T15:17:40.612856Z",
"updated_at": "2022-09-04T15:17:40.612872Z",
"structure_string": "Sb2 Se6 N4 Cl14\n1.0\n7.177736 0.021764 0.025969\n2.689193 6.688160 -0.009558\n1.089692 -0.297139 15.465295\nCl N Sb Se\n14 4 2 6\ndirect\n0.730737 0.330579 0.005280 Cl\n0.235833 0.162746 0.011655 Cl\n0.968576 0.988407 0.155875 Cl\n0.426487 0.431034 0.220936 Cl\n0.813324 0.199274 0.375839 Cl\n0.254902 0.236449 0.426484 Cl\n0.194035 0.786504 0.445003 Cl\n0.819575 0.462712 0.555233 Cl\n0.766025 0.011370 0.573787 Cl\n0.201396 0.054795 0.625564 Cl\n0.653309 0.634787 0.788742 Cl\n0.033845 0.020558 0.843445 Cl\n0.761543 0.845756 0.987023 Cl\n0.266856 0.677748 0.992455 Cl\n0.493256 0.845749 0.256238 N\n0.890210 0.620032 0.291736 N\n0.151914 0.542279 0.707874 N\n0.443293 0.305145 0.814648 N\n0.998879 0.003527 0.000000 Sb\n0.011917 0.122902 0.499221 Sb\n0.538924 0.674965 0.171153 Se\n0.906222 0.500842 0.192421 Se\n0.670475 0.806245 0.336910 Se\n0.357615 0.523396 0.635850 Se\n0.613043 0.352187 0.740319 Se\n0.176477 0.436720 0.810204 Se\n",
"nsites": 26,
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"elements": [
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"density_atomic": 0.03507404892362709,
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"volume_molar": 17.169790613889685,
"formula_full": "Sb2 Se6 N4 Cl14",
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"formula_anonymous": "AB2C3D7",
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"spacegroup": 1
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{
"id": "oqmd-692244",
"created_at": "2022-09-04T15:17:40.629723Z",
"updated_at": "2022-09-04T15:17:40.629748Z",
"structure_string": "Yb4 Nb4 O11\n1.0\n5.410799 -0.059307 -0.008407\n-0.062392 5.586577 -0.006187\n-0.012155 -0.008643 7.827956\nNb O Yb\n4 11 4\ndirect\n0.527440 0.021944 0.001026 Nb\n0.992179 0.496599 0.500023 Nb\n0.502262 0.002987 0.502083 Nb\n0.981328 0.477204 0.999540 Nb\n0.800808 0.785586 0.055053 O\n0.415345 0.982712 0.247141 O\n0.083745 0.457831 0.248861 O\n0.684041 0.306715 0.435986 O\n0.800681 0.798245 0.452473 O\n0.297785 0.702774 0.545283 O\n0.190504 0.197575 0.552915 O\n0.604743 0.032062 0.748837 O\n0.896356 0.523519 0.750914 O\n0.222030 0.213529 0.947384 O\n0.307804 0.702712 0.951326 O\n0.499224 0.567433 0.235917 Yb\n0.000953 0.041623 0.257503 Yb\n0.470934 0.454278 0.749966 Yb\n0.026279 0.935870 0.765963 Yb\n",
"nsites": 19,
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"elements": [
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"chemical_system": "Nb-O-Yb",
"density": 8.70146827889441,
"density_atomic": 0.08030688805657643,
"volume": 236.59240769751213,
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{
"id": "oqmd-692174",
"created_at": "2022-09-04T15:17:40.684495Z",
"updated_at": "2022-09-04T15:17:40.684505Z",
"structure_string": "Sm4 Fe4 O11\n1.0\n5.367760 -0.065571 0.023080\n-0.068887 5.701384 0.009233\n0.033710 0.011738 7.654089\nFe O Sm\n4 11 4\ndirect\n0.985542 0.496652 0.500227 Fe\n0.503714 0.004606 0.502492 Fe\n0.507582 0.001794 0.995655 Fe\n0.000267 0.494760 0.999367 Fe\n0.810689 0.819861 0.053833 O\n0.088999 0.464671 0.251078 O\n0.410021 0.974709 0.252436 O\n0.686404 0.305279 0.433307 O\n0.796981 0.798687 0.451091 O\n0.294209 0.701079 0.547031 O\n0.188212 0.193979 0.553979 O\n0.613737 0.047971 0.748138 O\n0.886337 0.522117 0.752324 O\n0.212029 0.190250 0.951227 O\n0.327514 0.681013 0.953257 O\n0.507779 0.581507 0.244579 Sm\n0.000628 0.057508 0.256961 Sm\n0.464508 0.437015 0.740360 Sm\n0.017458 0.925659 0.760718 Sm\n",
"nsites": 19,
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],
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{
"id": "oqmd-691921",
"created_at": "2022-09-04T15:17:40.695067Z",
"updated_at": "2022-09-04T15:17:40.695087Z",
"structure_string": "Ca4 Ru4 O11\n1.0\n5.314858 -0.018082 0.020647\n-0.018920 5.582856 -0.019523\n0.029642 -0.026901 7.651313\nCa O Ru\n4 11 4\ndirect\n0.509625 0.570540 0.246030 Ca\n0.993066 0.054742 0.256764 Ca\n0.471171 0.439852 0.739378 Ca\n0.020972 0.933255 0.754918 Ca\n0.809043 0.801790 0.048922 O\n0.088431 0.467233 0.249333 O\n0.409735 0.980238 0.249357 O\n0.687768 0.301989 0.436662 O\n0.802855 0.798910 0.450883 O\n0.187033 0.197613 0.551114 O\n0.301513 0.702825 0.553176 O\n0.605732 0.039076 0.750631 O\n0.894433 0.521737 0.752820 O\n0.201510 0.202307 0.954436 O\n0.324198 0.688655 0.958254 O\n0.992736 0.498505 0.499305 Ru\n0.500556 0.002614 0.500076 Ru\n0.507738 0.003521 0.998245 Ru\n0.996574 0.495259 0.998861 Ru\n",
"nsites": 19,
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"elements": [
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"formula_full": "Ca4 Ru4 O11",
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"spacegroup": 1
},
{
"id": "oqmd-692234",
"created_at": "2022-09-04T15:17:41.071528Z",
"updated_at": "2022-09-04T15:17:41.071554Z",
"structure_string": "Yb4 Ge4 O11\n1.0\n5.176592 -0.054979 0.037870\n-0.055220 5.317160 0.010692\n0.054860 0.016134 7.509386\nGe O Yb\n4 11 4\ndirect\n0.967630 0.478693 0.004511 Ge\n0.998791 0.502038 0.500184 Ge\n0.503449 0.002533 0.500332 Ge\n0.482025 0.971318 0.994377 Ge\n0.793525 0.835774 0.035995 O\n0.430697 0.993626 0.247471 O\n0.084237 0.495687 0.262481 O\n0.705770 0.292602 0.451951 O\n0.791109 0.796075 0.458462 O\n0.298294 0.711589 0.541104 O\n0.209271 0.204875 0.541387 O\n0.920503 0.510996 0.740219 O\n0.582830 0.019437 0.750309 O\n0.284478 0.687577 0.961009 O\n0.236656 0.204924 0.962318 O\n0.512125 0.554884 0.254779 Yb\n0.000562 0.051356 0.258608 Yb\n0.477173 0.449090 0.741279 Yb\n0.013536 0.945327 0.752420 Yb\n",
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"formula_full": "Yb4 Ge4 O11",
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{
"id": "oqmd-692099",
"created_at": "2022-09-04T15:17:40.834256Z",
"updated_at": "2022-09-04T15:17:40.834276Z",
"structure_string": "Pm4 Al4 O11\n1.0\n5.306906 -0.027454 -0.000974\n-0.027423 5.259079 -0.011238\n-0.001426 -0.015964 7.481057\nAl O Pm\n4 11 4\ndirect\n0.999497 0.496653 0.000000 Al\n0.503070 0.000632 0.000216 Al\n0.500626 0.998662 0.499722 Al\n0.000545 0.499654 0.500012 Al\n0.757370 0.755124 0.030870 O\n0.440839 0.993465 0.249070 O\n0.060840 0.496241 0.249305 O\n0.731791 0.268271 0.462682 O\n0.769312 0.768258 0.469542 O\n0.231635 0.229676 0.531517 O\n0.269045 0.730408 0.537344 O\n0.936528 0.494703 0.751074 O\n0.565581 0.011878 0.751142 O\n0.257873 0.741922 0.963841 O\n0.246331 0.242853 0.971026 O\n0.506428 0.508180 0.247031 Pm\n0.994373 0.014492 0.248962 Pm\n0.496538 0.485707 0.750374 Pm\n0.005904 0.988190 0.751387 Pm\n",
"nsites": 19,
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"elements": [
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],
"chemical_system": "Al-O-Pm",
"density": 6.87103342033215,
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"formula_full": "Pm4 Al4 O11",
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"spacegroup": 1
}
]
}