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{
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{
"id": "mp-1203024",
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"structure_string": "Sb4 Ir2 C6 O6 F26\n1.0\n-8.661461 0.000000 0.000000\n-0.239179 -8.930832 0.000000\n2.433779 3.784051 9.942800\nSb Ir C O F\n4 2 6 6 26\ndirect\n0.321399 0.248308 0.639243 Sb\n0.678601 0.751692 0.360757 Sb\n0.680330 0.794434 0.838756 Sb\n0.319670 0.205566 0.161244 Sb\n0.218656 0.697829 0.703506 Ir\n0.781344 0.302171 0.296494 Ir\n0.117481 0.891724 0.751459 C\n0.882519 0.108276 0.248541 C\n0.198583 0.701406 0.518180 C\n0.801417 0.298594 0.481820 C\n0.233796 0.685322 0.884521 C\n0.766204 0.314678 0.115479 C\n0.052960 0.008000 0.778982 O\n0.947040 0.992000 0.221018 O\n0.190057 0.705886 0.414167 O\n0.809943 0.294114 0.585833 O\n0.237906 0.674129 0.985594 O\n0.762094 0.325871 0.014406 O\n0.019271 0.569938 0.645230 F\n0.980729 0.430062 0.354770 F\n0.333229 0.483669 0.644733 F\n0.666771 0.516331 0.355267 F\n0.136303 0.213102 0.497218 F\n0.863697 0.786898 0.502782 F\n0.454599 0.201289 0.515755 F\n0.545401 0.798711 0.484245 F\n0.191843 0.330000 0.765921 F\n0.808157 0.670000 0.234079 F\n0.297950 0.033698 0.632311 F\n0.702050 0.966302 0.367689 F\n0.503928 0.302554 0.782714 F\n0.496072 0.697446 0.217286 F\n0.442553 0.818942 0.761790 F\n0.557447 0.181058 0.238210 F\n0.671998 0.976673 0.995953 F\n0.328002 0.023327 0.004047 F\n0.668892 0.615624 0.677235 F\n0.331108 0.384376 0.322765 F\n0.598873 0.664089 0.917415 F\n0.401127 0.335911 0.082585 F\n0.726933 0.939548 0.758679 F\n0.273067 0.060452 0.241321 F\n0.899100 0.773092 0.907370 F\n0.100900 0.226908 0.092630 F\n",
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},
{
"id": "mp-29484",
"created_at": "2022-09-04T14:39:59.325633Z",
"structure_string": "K4 Hg1 As2\n1.0\n9.574917 -2.905913 0.000000\n9.574917 2.905913 0.000000\n8.692996 0.000000 4.955321\nK Hg As\n4 1 2\ndirect\n0.207855 0.207855 0.207855 K\n0.792145 0.792145 0.792145 K\n0.388888 0.388888 0.388888 K\n0.611112 0.611112 0.611112 K\n0.000000 0.000000 0.000000 Hg\n0.910631 0.910631 0.910631 As\n0.089369 0.089369 0.089369 As\n",
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"elements": [
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],
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"density": 3.052030798611282,
"density_atomic": 0.025385085219733625,
"volume": 275.75247194988356,
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"updated_at": "2021-11-28T01:34:43.099000Z",
"spacegroup": 166
},
{
"id": "mp-1201766",
"created_at": "2022-09-04T14:39:59.327903Z",
"structure_string": "Na2 Cu2 H56 C2 S12 N8 O28\n1.0\n15.644135 0.000000 0.000000\n0.000000 6.718798 0.000000\n0.000000 6.063126 10.994284\nNa Cu H C S N O\n2 2 56 2 12 8 28\ndirect\n0.878695 0.198557 0.044479 Na\n0.121305 0.198557 0.544479 Na\n0.694422 0.498522 0.500226 Cu\n0.305578 0.498522 0.000226 Cu\n0.910795 0.606143 0.798821 H\n0.089205 0.606143 0.298821 H\n0.955945 0.633945 0.914641 H\n0.044055 0.633945 0.414641 H\n0.917131 0.865839 0.788287 H\n0.082869 0.865839 0.288287 H\n0.006956 0.731370 0.777857 H\n0.993044 0.731370 0.277857 H\n0.729407 0.043906 0.295463 H\n0.270593 0.043906 0.795463 H\n0.728186 0.293805 0.297333 H\n0.271814 0.293805 0.797333 H\n0.732251 0.046020 0.430671 H\n0.267749 0.046020 0.930671 H\n0.640281 0.122593 0.345880 H\n0.359719 0.122593 0.845880 H\n0.605790 0.862660 0.029628 H\n0.394210 0.862660 0.529628 H\n0.691298 0.982503 0.062394 H\n0.308702 0.982503 0.562394 H\n0.656716 0.091422 0.916693 H\n0.343284 0.091422 0.416693 H\n0.596800 0.119209 0.021055 H\n0.403200 0.119209 0.521055 H\n0.656490 0.872678 0.643540 H\n0.343510 0.872678 0.143540 H\n0.562591 0.000750 0.645305 H\n0.437409 0.000750 0.145305 H\n0.560145 0.761009 0.633451 H\n0.439855 0.761009 0.133451 H\n0.590763 0.747645 0.766166 H\n0.409237 0.747645 0.266166 H\n0.066927 0.289984 0.973660 H\n0.933073 0.289984 0.473660 H\n0.985046 0.994925 0.902683 H\n0.014954 0.994925 0.402683 H\n0.084765 0.923211 0.982031 H\n0.915235 0.923211 0.482031 H\n0.076988 0.166014 0.833388 H\n0.923012 0.166014 0.333388 H\n0.936149 0.561866 0.124884 H\n0.063851 0.561866 0.624884 H\n0.020228 0.444881 0.117867 H\n0.979772 0.444881 0.617867 H\n0.725607 0.523909 0.950791 H\n0.274393 0.523909 0.450791 H\n0.778546 0.548642 0.047243 H\n0.221454 0.548642 0.547243 H\n0.793826 0.768830 0.627025 H\n0.206174 0.768830 0.127025 H\n0.791857 0.004031 0.628350 H\n0.208143 0.004031 0.128350 H\n0.464605 0.316718 0.844350 H\n0.535395 0.316718 0.344350 H\n0.485177 0.197448 0.766430 H\n0.514823 0.197448 0.266430 H\n0.043379 0.064218 0.920182 C\n0.956621 0.064218 0.420182 C\n0.577802 0.603559 0.389377 S\n0.422198 0.603559 0.889377 S\n0.691032 0.320656 0.701324 S\n0.308968 0.320656 0.201324 S\n0.823374 0.567468 0.417851 S\n0.176626 0.567468 0.917851 S\n0.475984 0.505568 0.508793 S\n0.524016 0.505568 0.008793 S\n0.817175 0.265762 0.755665 S\n0.182825 0.265762 0.255665 S\n0.812497 0.722655 0.232480 S\n0.187503 0.722655 0.732480 S\n0.948011 0.709652 0.820843 N\n0.051989 0.709652 0.320843 N\n0.707761 0.125382 0.342659 N\n0.292239 0.125382 0.842659 N\n0.638125 0.013334 0.007128 N\n0.361875 0.013334 0.507128 N\n0.592375 0.846355 0.671708 N\n0.407625 0.846355 0.171708 N\n0.477257 0.628607 0.580296 O\n0.522743 0.628607 0.080296 O\n0.398242 0.565348 0.430673 O\n0.601758 0.565348 0.930673 O\n0.479864 0.254669 0.592174 O\n0.520136 0.254669 0.092174 O\n0.861048 0.491710 0.707166 O\n0.138952 0.491710 0.207166 O\n0.858875 0.132979 0.702644 O\n0.141125 0.132979 0.202644 O\n0.817552 0.139959 0.889498 O\n0.182448 0.139959 0.389498 O\n0.763431 0.579957 0.193597 O\n0.236569 0.579957 0.693597 O\n0.901555 0.761518 0.182114 O\n0.098445 0.761518 0.682114 O\n0.769725 0.948506 0.187734 O\n0.230275 0.948506 0.687734 O\n0.016859 0.202652 0.972240 O\n0.983141 0.202652 0.472240 O\n0.960668 0.469774 0.090207 O\n0.039332 0.469774 0.590207 O\n0.784152 0.510090 0.981276 O\n0.215848 0.510090 0.481276 O\n0.763614 0.915886 0.593702 O\n0.236386 0.915886 0.093702 O\n0.469729 0.165885 0.849096 O\n0.530271 0.165885 0.349096 O\n",
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"elements": [
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],
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"formula_full": "Na2 Cu2 H56 C2 S12 N8 O28",
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"updated_at": "2021-11-28T01:34:44.477000Z",
"spacegroup": 7
},
{
"id": "mp-1200209",
"created_at": "2022-09-04T14:40:00.494224Z",
"structure_string": "Li4 B12 O18 F4\n1.0\n8.169612 2.444480 0.000000\n-8.169612 2.444480 0.000000\n0.000000 0.381015 10.158188\nLi B O F\n4 12 18 4\ndirect\n0.080784 0.154023 0.621014 Li\n0.154023 0.080784 0.121014 Li\n0.938099 0.452955 0.451200 Li\n0.452955 0.938099 0.951200 Li\n0.525036 0.790949 0.516042 B\n0.790949 0.525036 0.016042 B\n0.829060 0.897009 0.355565 B\n0.897009 0.829060 0.855565 B\n0.745981 0.452162 0.777887 B\n0.452162 0.745981 0.277887 B\n0.601190 0.089083 0.658755 B\n0.089083 0.601190 0.158755 B\n0.627841 0.302327 0.243563 B\n0.302327 0.627841 0.743563 B\n0.213000 0.025347 0.412351 B\n0.025347 0.213000 0.912351 B\n0.343686 0.580332 0.629192 O\n0.580332 0.343686 0.129192 O\n0.755435 0.870686 0.483719 O\n0.870686 0.755435 0.983719 O\n0.849085 0.687410 0.752644 O\n0.687410 0.849085 0.252644 O\n0.731764 0.341005 0.671576 O\n0.341005 0.731764 0.171576 O\n0.667331 0.339375 0.903579 O\n0.339375 0.667331 0.403579 O\n0.670209 0.062835 0.549373 O\n0.062835 0.670209 0.049373 O\n0.412662 0.873345 0.754653 O\n0.873345 0.412662 0.254653 O\n0.459585 0.158659 0.352791 O\n0.158659 0.459585 0.852791 O\n0.048043 0.980438 0.318669 O\n0.980438 0.048043 0.818669 O\n0.300241 0.195930 0.518139 F\n0.195930 0.300241 0.018139 F\n0.037372 0.756725 0.469788 F\n0.756725 0.037372 0.969788 F\n",
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{
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"structure_string": "Li4 Al4 Si4 H8 O20\n1.0\n5.109379 0.000000 0.000000\n0.000000 8.492595 0.000000\n0.000000 0.000000 11.946309\nLi Al Si H O\n4 4 4 8 20\ndirect\n0.059272 0.747160 0.395052 Li\n0.559272 0.247160 0.104948 Li\n0.559272 0.252840 0.604948 Li\n0.059272 0.752840 0.895052 Li\n0.754711 0.646916 0.653652 Al\n0.254711 0.146916 0.846348 Al\n0.754711 0.853084 0.153652 Al\n0.254711 0.353084 0.346348 Al\n0.217605 0.464909 0.724848 Si\n0.717605 0.964909 0.775152 Si\n0.717605 0.535091 0.275152 Si\n0.217605 0.035091 0.224848 Si\n0.965836 0.021329 0.376180 H\n0.465836 0.521329 0.123820 H\n0.465836 0.978671 0.623820 H\n0.289708 0.139050 0.456163 H\n0.789708 0.860950 0.543837 H\n0.789708 0.639050 0.043837 H\n0.965836 0.478671 0.876180 H\n0.289708 0.360950 0.956163 H\n0.440641 0.527010 0.341228 O\n0.940641 0.027010 0.158772 O\n0.331160 0.250529 0.971879 O\n0.137768 0.976723 0.359861 O\n0.931943 0.084263 0.823829 O\n0.931943 0.415737 0.323829 O\n0.830653 0.714525 0.262856 O\n0.830653 0.785475 0.762856 O\n0.431943 0.584263 0.676171 O\n0.431943 0.915737 0.176171 O\n0.831160 0.749471 0.028121 O\n0.331160 0.249471 0.471879 O\n0.831160 0.750529 0.528121 O\n0.330653 0.214525 0.237144 O\n0.940641 0.472990 0.658772 O\n0.137768 0.523277 0.859861 O\n0.637768 0.023277 0.640139 O\n0.330653 0.285475 0.737144 O\n0.440641 0.972990 0.841228 O\n0.637768 0.476723 0.140139 O\n",
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{
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"structure_string": "Ba2 Dy2 Nb2 Sn2 O12\n1.0\n5.937184 -0.035134 0.006262\n-0.037159 5.972507 0.020496\n0.008263 0.027949 8.491249\nBa Dy Nb Sn O\n2 2 2 2 12\ndirect\n0.504227 0.518809 0.250869 Ba\n0.495773 0.481191 0.749131 Ba\n-0.000000 0.500000 -0.000000 Dy\n0.500000 0.000000 0.500000 Dy\n0.500000 0.000000 -0.000000 Nb\n-0.000000 0.500000 0.500000 Nb\n0.003413 0.013684 0.252799 Sn\n0.996587 0.986316 0.747201 Sn\n0.232211 0.201222 0.949261 O\n0.273338 0.698722 0.519696 O\n0.767789 0.798778 0.050739 O\n0.726662 0.301278 0.480304 O\n0.302882 0.729122 0.973428 O\n0.196463 0.223719 0.543488 O\n0.697118 0.270878 0.026572 O\n0.803537 0.776281 0.456512 O\n0.408108 0.003438 0.235952 O\n0.053697 0.471081 0.264372 O\n0.591892 0.996562 0.764048 O\n0.946303 0.528919 0.735628 O\n",
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{
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"structure_string": "Li4 Al4 O8\n1.0\n5.230133 0.000000 0.000000\n0.000000 5.230133 0.000000\n0.000000 0.000000 6.326742\nLi Al O\n4 4 8\ndirect\n0.686132 0.313868 0.250000 Li\n0.186132 0.186132 0.500000 Li\n0.313868 0.686132 0.750000 Li\n0.813868 0.813868 0.000000 Li\n0.823341 0.823341 0.500000 Al\n0.676659 0.323341 0.750000 Al\n0.323341 0.676659 0.250000 Al\n0.176659 0.176659 0.000000 Al\n0.290871 0.338128 0.227366 O\n0.161872 0.790871 0.477366 O\n0.790871 0.161872 0.522634 O\n0.838128 0.209129 0.977366 O\n0.209129 0.838128 0.022634 O\n0.661872 0.709129 0.272634 O\n0.338128 0.290871 0.772634 O\n0.709129 0.661872 0.727366 O\n",
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{
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}