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{
"id": "mp-693682",
"created_at": "2022-09-04T14:43:17.448671Z",
"structure_string": "Na25 Zr11 Sc5 Si12 P12 O96\n1.0\n-9.119735 0.000000 0.000000\n-4.508828 -7.933961 0.000000\n-4.472942 -2.388113 30.758348\nNa Zr Sc Si P O\n25 11 5 12 12 96\ndirect\n0.302226 0.179827 0.076901 Na\n0.609355 0.162728 0.123207 Na\n0.580640 0.794167 0.187932 Na\n0.543615 0.719101 0.461175 Na\n0.826164 0.395117 0.370665 Na\n0.995880 0.499463 0.004725 Na\n0.963829 0.806305 0.047693 Na\n0.921458 0.705769 0.316015 Na\n0.943839 0.087757 0.170864 Na\n0.819154 0.039464 0.442278 Na\n0.792987 0.968401 0.711510 Na\n0.077865 0.644991 0.621879 Na\n0.271621 0.711160 0.248239 Na\n0.203663 0.054484 0.296293 Na\n0.181113 0.953540 0.565626 Na\n0.189646 0.336491 0.422256 Na\n0.070418 0.288266 0.692411 Na\n0.058081 0.170022 0.951872 Na\n0.329384 0.894217 0.875164 Na\n0.456451 0.271863 0.539804 Na\n0.432178 0.202547 0.815984 Na\n0.440563 0.587226 0.671990 Na\n0.329074 0.547427 0.941214 Na\n0.706137 0.521514 0.790287 Na\n0.680795 0.840141 0.922892 Na\n0.298127 0.774811 0.138232 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0.154109 O\n0.648080 0.778924 0.646283 O\n0.783125 0.907157 0.193975 O\n0.715210 0.847701 0.428918 O\n0.880486 0.513628 0.446755 O\n0.955935 0.619689 0.234020 O\n0.637878 0.016836 0.572942 O\n0.759478 0.050984 0.278422 O\n0.088207 0.367352 0.312454 O\n0.745724 0.081072 0.358457 O\n0.026457 0.646044 0.387375 O\n0.674186 0.371461 0.439701 O\n0.988550 0.716161 0.470455 O\n0.096424 0.752769 0.179762 O\n0.796657 0.135901 0.514142 O\n0.877402 0.224378 0.305422 O\n0.880381 0.771692 0.772608 O\n0.028508 0.906022 0.315080 O\n0.988839 0.837499 0.558152 O\n0.101934 0.990777 0.103615 O\n0.848504 0.115173 0.596625 O\n0.238968 0.539155 0.311005 O\n0.745699 0.463843 0.683234 O\n0.143651 0.902926 0.402517 O\n0.892835 0.017948 0.897467 O\n0.036345 0.155116 0.444732 O\n0.965529 0.097492 0.679534 O\n0.110784 0.226130 0.230865 O\n0.129984 0.763192 0.696840 O\n0.218274 0.858467 0.480834 O\n0.888955 0.263812 0.823359 O\n0.010731 0.300045 0.529319 O\n0.336957 0.616997 0.561414 O\n0.986389 0.343056 0.609137 O\n0.276639 0.894049 0.637676 O\n0.923999 0.621359 0.689725 O\n0.239124 0.965267 0.720635 O\n0.347590 0.993240 0.425013 O\n0.045915 0.386344 0.764684 O\n0.123964 0.476312 0.554974 O\n0.272354 0.158687 0.568709 O\n0.239577 0.087673 0.808374 O\n0.340146 0.250365 0.355211 O\n0.097542 0.363025 0.847765 O\n0.489613 0.783902 0.562776 O\n0.993713 0.705004 0.937448 O\n0.390384 0.152474 0.653168 O\n0.286821 0.405405 0.694804 O\n0.207399 0.352804 0.933878 O\n0.362628 0.473244 0.481849 O\n0.375290 0.014943 0.945716 O\n0.468146 0.108540 0.731089 O\n0.259641 0.550021 0.779620 O\n0.588232 0.865451 0.811638 O\n0.236644 0.592450 0.859413 O\n0.516275 0.160097 0.888581 O\n0.171847 0.869542 0.939522 O\n0.487102 0.214779 0.972341 O\n0.597719 0.240890 0.674843 O\n0.372719 0.726505 0.804928 O\n0.522521 0.408787 0.818577 O\n0.590609 0.489945 0.604205 O\n0.738670 0.033460 0.813623 O\n0.654741 0.400027 0.901334 O\n0.540106 0.652979 0.943707 O\n0.612893 0.723142 0.732077 O\n0.721204 0.353675 0.979904 O\n0.854171 0.489616 0.927445 O\n0.841447 0.738977 0.854801 O\n0.862388 0.971113 0.983633 O\n",
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"elements": [
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],
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"density_atomic": 0.07234201304664298,
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"volume_molar": 8.324541309235045,
"formula_full": "Na25 Zr11 Sc5 Si12 P12 O96",
"formula_reduced": "Na25Zr11Sc5Si12(PO8)12",
"formula_anonymous": "A5B11C12D12E25F96",
"energy": -1262.41903355,
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"updated_at": "2021-11-28T01:36:10.662000Z",
"spacegroup": 1
},
{
"id": "mp-1206664",
"created_at": "2022-09-04T14:43:17.450060Z",
"structure_string": "Li2 Zr1 Al1\n1.0\n-3.286379 -3.286379 0.000000\n-3.286379 0.000000 -3.286379\n0.000000 -3.286379 -3.286379\nLi Zr Al\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 Al\n",
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"formula_full": "Li2 Zr1 Al1",
"formula_reduced": "Li2ZrAl",
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"spacegroup": 216
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{
"id": "mp-1199103",
"created_at": "2022-09-04T14:43:17.445959Z",
"structure_string": "U2 Al40 Cr4\n1.0\n0.000000 7.179369 7.179369\n7.179369 0.000000 7.179369\n7.179369 7.179369 0.000000\nU Al Cr\n2 40 4\ndirect\n0.500000 0.500000 0.500000 U\n0.750000 0.750000 0.750000 U\n0.125000 0.625000 0.625000 Al\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.625000 0.625000 0.625000 Al\n0.863602 0.863602 0.136398 Al\n0.136398 0.136398 0.863602 Al\n0.863602 0.136398 0.863602 Al\n0.136398 0.863602 0.136398 Al\n0.136398 0.863602 0.863602 Al\n0.863602 0.136398 0.136398 Al\n0.386398 0.386398 0.113602 Al\n0.113602 0.113602 0.386398 Al\n0.386398 0.113602 0.386398 Al\n0.113602 0.386398 0.113602 Al\n0.113602 0.386398 0.386398 Al\n0.386398 0.113602 0.113602 Al\n0.568123 0.299833 0.299833 Al\n0.299833 0.568123 0.832211 Al\n0.299833 0.832211 0.568123 Al\n0.832211 0.299833 0.299833 Al\n0.299833 0.299833 0.568123 Al\n0.568123 0.832211 0.299833 Al\n0.832211 0.568123 0.299833 Al\n0.299833 0.299833 0.832211 Al\n0.299833 0.568123 0.299833 Al\n0.832211 0.299833 0.568123 Al\n0.568123 0.299833 0.832211 Al\n0.299833 0.832211 0.299833 Al\n0.681877 0.950167 0.950167 Al\n0.950167 0.681877 0.417789 Al\n0.950167 0.417789 0.681877 Al\n0.417789 0.950167 0.950167 Al\n0.950167 0.950167 0.681877 Al\n0.681877 0.417789 0.950167 Al\n0.417789 0.681877 0.950167 Al\n0.950167 0.950167 0.417789 Al\n0.950167 0.681877 0.950167 Al\n0.417789 0.950167 0.681877 Al\n0.681877 0.950167 0.417789 Al\n0.950167 0.417789 0.950167 Al\n0.625000 0.125000 0.125000 Cr\n0.125000 0.625000 0.125000 Cr\n0.125000 0.125000 0.625000 Cr\n0.125000 0.125000 0.125000 Cr\n",
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"formula_full": "U2 Al40 Cr4",
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{
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"structure_string": "Nd10 Ge6\n1.0\n4.426238 -7.666470 0.000000\n4.426238 7.666470 0.000000\n0.000000 0.000000 6.735340\nNd Ge\n10 6\ndirect\n0.000000 0.755035 0.750000 Nd\n0.000000 0.244965 0.250000 Nd\n0.755035 0.755035 0.250000 Nd\n0.755035 0.000000 0.750000 Nd\n0.244965 0.244965 0.750000 Nd\n0.244965 0.000000 0.250000 Nd\n0.333333 0.666667 0.500000 Nd\n0.666667 0.333333 0.000000 Nd\n0.666667 0.333333 0.500000 Nd\n0.333333 0.666667 0.000000 Nd\n0.392781 0.000000 0.750000 Ge\n0.392781 0.392781 0.250000 Ge\n0.000000 0.607219 0.250000 Ge\n0.000000 0.392781 0.750000 Ge\n0.607219 0.607219 0.750000 Ge\n0.607219 0.000000 0.250000 Ge\n",
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{
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"structure_string": "Rb4 W12 Br28\n1.0\n7.955516 10.481454 0.000000\n-7.955516 10.481454 0.000000\n0.000000 4.374393 9.032588\nRb W Br\n4 12 28\ndirect\n0.431099 0.568901 0.250000 Rb\n0.568901 0.431099 0.750000 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.045976 0.347424 0.052713 W\n0.652576 0.954024 0.447287 W\n0.954024 0.652576 0.947287 W\n0.347424 0.045976 0.552713 W\n0.066505 0.512218 0.130971 W\n0.487782 0.933495 0.369029 W\n0.933495 0.487782 0.869029 W\n0.512218 0.066505 0.630971 W\n0.868412 0.483227 0.152552 W\n0.516773 0.131588 0.347448 W\n0.131588 0.516773 0.847448 W\n0.483227 0.868412 0.652552 W\n0.849257 0.317269 0.072096 Br\n0.682731 0.150743 0.427904 Br\n0.150743 0.682731 0.927905 Br\n0.317269 0.849257 0.572096 Br\n0.889520 0.647616 0.230098 Br\n0.352384 0.110480 0.269902 Br\n0.110480 0.352384 0.769902 Br\n0.647616 0.889520 0.730098 Br\n0.243794 0.376410 0.029850 Br\n0.623590 0.756206 0.470150 Br\n0.756206 0.623590 0.970150 Br\n0.376410 0.243794 0.529850 Br\n0.979976 0.342966 0.336949 Br\n0.657034 0.020024 0.163051 Br\n0.020024 0.657034 0.663051 Br\n0.342966 0.979976 0.836949 Br\n0.115087 0.130676 0.131125 Br\n0.869324 0.884913 0.368875 Br\n0.884913 0.869324 0.868875 Br\n0.130676 0.115087 0.631125 Br\n0.158867 0.529523 0.312580 Br\n0.470477 0.841133 0.187420 Br\n0.841133 0.470477 0.687420 Br\n0.529523 0.158867 0.812580 Br\n0.681250 0.461408 0.364489 Br\n0.538592 0.318750 0.135511 Br\n0.318750 0.538592 0.635511 Br\n0.461408 0.681250 0.864489 Br\n",
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"formula_full": "Rb4 W12 Br28",
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{
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"structure_string": "N1 Cl1 O3\n1.0\n4.076689 1.880871 0.000000\n-4.076689 1.880871 0.000000\n0.000000 0.338658 4.755595\nN Cl O\n1 1 3\ndirect\n0.893409 0.893409 0.837663 N\n0.103753 0.103753 0.387893 Cl\n0.590833 0.590833 0.859149 O\n0.872328 0.329677 0.405147 O\n0.329677 0.872328 0.405147 O\n",
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{
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