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{
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{
"id": "mp-1195324",
"created_at": "2022-09-04T14:40:43.792131Z",
"structure_string": "Pr8 Ti4 O20\n1.0\n3.900367 0.000000 0.000000\n0.000000 10.951350 0.000000\n0.000000 0.000000 11.524532\nPr Ti O\n8 4 20\ndirect\n0.250000 0.136754 0.941887 Pr\n0.250000 0.636754 0.558113 Pr\n0.750000 0.863246 0.058113 Pr\n0.750000 0.363246 0.441887 Pr\n0.750000 0.397702 0.780421 Pr\n0.750000 0.897702 0.719579 Pr\n0.250000 0.602298 0.219579 Pr\n0.250000 0.102298 0.280421 Pr\n0.250000 0.188011 0.625105 Ti\n0.250000 0.688011 0.874895 Ti\n0.750000 0.811989 0.374895 Ti\n0.750000 0.311989 0.125105 Ti\n0.250000 0.225183 0.464275 O\n0.250000 0.725183 0.035725 O\n0.750000 0.774817 0.535725 O\n0.750000 0.274817 0.964275 O\n0.250000 0.491550 0.397405 O\n0.250000 0.991550 0.102595 O\n0.750000 0.508450 0.602595 O\n0.750000 0.008450 0.897405 O\n0.250000 0.261873 0.121345 O\n0.250000 0.761873 0.378655 O\n0.750000 0.738127 0.878655 O\n0.750000 0.238127 0.621345 O\n0.250000 0.030247 0.664317 O\n0.250000 0.530247 0.835683 O\n0.750000 0.969753 0.335683 O\n0.750000 0.469753 0.164317 O\n0.250000 0.274041 0.769972 O\n0.250000 0.774041 0.730028 O\n0.750000 0.725959 0.230028 O\n0.750000 0.225959 0.269972 O\n",
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{
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"structure_string": "Sr1 Ca1 Hg2\n1.0\n0.000000 3.922430 3.922430\n3.922430 0.000000 3.922430\n3.922430 3.922430 0.000000\nSr Ca Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ca\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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"spacegroup": 225
},
{
"id": "mp-849225",
"created_at": "2022-09-04T14:40:43.796839Z",
"structure_string": "Li6 Mn8 B8 O24\n1.0\n6.176225 0.000000 0.000000\n1.101458 9.290213 0.000000\n1.633234 3.643220 8.797010\nLi Mn B O\n6 8 8 24\ndirect\n0.536094 0.871575 0.781423 Li\n0.023036 0.349760 0.783408 Li\n0.463906 0.128425 0.218577 Li\n0.530889 0.370720 0.282637 Li\n0.976964 0.650240 0.216592 Li\n0.469111 0.629280 0.717363 Li\n0.252385 0.045490 0.952484 Mn\n0.747615 0.954510 0.047516 Mn\n0.238042 0.956002 0.555840 Mn\n0.242800 0.452338 0.049837 Mn\n0.761958 0.043998 0.444160 Mn\n0.757200 0.547662 0.950163 Mn\n0.253576 0.559280 0.449016 Mn\n0.746424 0.440720 0.550984 Mn\n0.101545 0.782387 0.891145 B\n0.590374 0.783834 0.383550 B\n0.580080 0.285214 0.883050 B\n0.091700 0.288138 0.376567 B\n0.898455 0.217613 0.108855 B\n0.409626 0.216166 0.616450 B\n0.419920 0.714786 0.116950 B\n0.908300 0.711862 0.623433 B\n0.256209 0.777682 0.771348 O\n0.032254 0.920771 0.909835 O\n0.497015 0.854434 0.995890 O\n0.723682 0.775635 0.259011 O\n0.520189 0.927992 0.397090 O\n0.502985 0.145566 0.004110 O\n0.012253 0.147588 0.483814 O\n0.740534 0.277753 0.771166 O\n0.259811 0.281446 0.264593 O\n0.987747 0.852412 0.516186 O\n0.967746 0.079229 0.090165 O\n0.479811 0.072008 0.602910 O\n0.501662 0.427544 0.892894 O\n0.009773 0.430298 0.385150 O\n0.017373 0.646304 0.003567 O\n0.743791 0.222318 0.228652 O\n0.276318 0.224365 0.740989 O\n0.982627 0.353696 0.996433 O\n0.478463 0.352437 0.494504 O\n0.498338 0.572456 0.107106 O\n0.259466 0.722247 0.228834 O\n0.521537 0.647563 0.505496 O\n0.990227 0.569702 0.614850 O\n0.740189 0.718554 0.735407 O\n",
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"elements": [
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"formula_full": "Li6 Mn8 B8 O24",
"formula_reduced": "Li3Mn4(BO3)4",
"formula_anonymous": "A3B4C4D12",
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{
"id": "mp-1213907",
"created_at": "2022-09-04T14:40:43.802035Z",
"structure_string": "Ce4 Ga18 Rh6\n1.0\n3.842461 -6.622612 0.000000\n3.842461 6.622612 0.000000\n0.000000 0.000000 9.492928\nCe Ga Rh\n4 18 6\ndirect\n0.997656 0.668452 0.250000 Ce\n0.002344 0.331548 0.750000 Ce\n0.668452 0.997656 0.250000 Ce\n0.331548 0.002344 0.750000 Ce\n0.127305 0.127305 0.250000 Ga\n0.872695 0.872695 0.750000 Ga\n0.001630 0.334181 0.077777 Ga\n0.998370 0.665819 0.922223 Ga\n0.998370 0.665819 0.577777 Ga\n0.334181 0.001630 0.422223 Ga\n0.001630 0.334181 0.422223 Ga\n0.665819 0.998370 0.577777 Ga\n0.665819 0.998370 0.922223 Ga\n0.334181 0.001630 0.077777 Ga\n0.334077 0.334077 0.562402 Ga\n0.665923 0.665923 0.437598 Ga\n0.665923 0.665923 0.062402 Ga\n0.334077 0.334077 0.937598 Ga\n0.338091 0.544426 0.250000 Ga\n0.661909 0.455574 0.750000 Ga\n0.544426 0.338091 0.250000 Ga\n0.455574 0.661909 0.750000 Ga\n0.671054 0.328946 0.000000 Rh\n0.328946 0.671054 0.000000 Rh\n0.328946 0.671054 0.500000 Rh\n0.671054 0.328946 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "Ce-Ga-Rh",
"density": 8.361926713238427,
"density_atomic": 0.05795475427835989,
"volume": 483.1355140514349,
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"formula_full": "Ce4 Ga18 Rh6",
"formula_reduced": "Ce2(Ga3Rh)3",
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"updated_at": "2021-11-28T01:35:07.967000Z",
"spacegroup": 63
},
{
"id": "mp-30865",
"created_at": "2022-09-04T14:40:43.804832Z",
"structure_string": "Tm2 Rh4\n1.0\n0.000000 3.757324 3.757324\n3.757324 0.000000 3.757324\n3.757324 3.757324 0.000000\nTm Rh\n2 4\ndirect\n0.750000 0.750000 0.750000 Tm\n0.500000 0.500000 0.500000 Tm\n0.125000 0.625000 0.125000 Rh\n0.125000 0.125000 0.625000 Rh\n0.625000 0.125000 0.125000 Rh\n0.125000 0.125000 0.125000 Rh\n",
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"formula_full": "Tm2 Rh4",
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"updated_at": "2021-11-28T01:35:09.221000Z",
"spacegroup": 227
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{
"id": "mp-1208485",
"created_at": "2022-09-04T14:40:43.835507Z",
"structure_string": "Tb16 Mg4 Ge16\n1.0\n7.269717 0.000000 0.000000\n0.000000 7.821010 0.000000\n0.000000 0.000000 14.666673\nTb Mg Ge\n16 4 16\ndirect\n0.329685 0.178216 0.627122 Tb\n0.670315 0.821784 0.372878 Tb\n0.170315 0.678216 0.372878 Tb\n0.670315 0.821784 0.127122 Tb\n0.829685 0.321784 0.627122 Tb\n0.329685 0.178216 0.872878 Tb\n0.829685 0.321784 0.872878 Tb\n0.170315 0.678216 0.127122 Tb\n0.011858 0.183074 0.095598 Tb\n0.988142 0.816926 0.904402 Tb\n0.488142 0.683074 0.904402 Tb\n0.988142 0.816926 0.595598 Tb\n0.511858 0.316926 0.095598 Tb\n0.011858 0.183074 0.404402 Tb\n0.511858 0.316926 0.404402 Tb\n0.488142 0.683074 0.595598 Tb\n0.159800 0.518896 0.750000 Mg\n0.840200 0.481104 0.250000 Mg\n0.340200 0.018896 0.250000 Mg\n0.659800 0.981104 0.750000 Mg\n0.286208 0.862779 0.750000 Ge\n0.713792 0.137221 0.250000 Ge\n0.213792 0.362779 0.250000 Ge\n0.786208 0.637221 0.750000 Ge\n0.022908 0.088056 0.750000 Ge\n0.977092 0.911944 0.250000 Ge\n0.477092 0.588056 0.250000 Ge\n0.522908 0.411944 0.750000 Ge\n0.168825 0.466439 0.535959 Ge\n0.831175 0.533561 0.464041 Ge\n0.331175 0.966439 0.464041 Ge\n0.831175 0.533561 0.035959 Ge\n0.668825 0.033561 0.535959 Ge\n0.168825 0.466439 0.964041 Ge\n0.668825 0.033561 0.964041 Ge\n0.331175 0.966439 0.035959 Ge\n",
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{
"id": "mp-1228636",
"created_at": "2022-09-04T14:40:43.933897Z",
"structure_string": "Ba1 Nb4 Bi4 Pb1 O18\n1.0\n2.840774 -12.504521 0.000000\n2.840774 12.504521 0.000000\n0.000000 0.000000 5.667690\nBa Nb Bi Pb O\n1 4 4 1 18\ndirect\n0.241597 0.241597 0.500000 Ba\n0.824458 0.650008 0.500000 Nb\n0.325613 0.150203 0.000000 Nb\n0.150203 0.325613 0.000000 Nb\n0.650008 0.824458 0.500000 Nb\n0.490522 0.086121 0.500000 Bi\n0.902540 0.500757 0.000000 Bi\n0.500757 0.902540 0.000000 Bi\n0.086121 0.490522 0.500000 Bi\n0.711240 0.711240 0.000000 Pb\n0.772724 0.772724 0.500000 O\n0.247824 0.247824 0.000000 O\n0.098209 0.924000 0.254586 O\n0.098209 0.924000 0.745414 O\n0.924000 0.098209 0.254586 O\n0.924000 0.098209 0.745414 O\n0.246656 0.752920 0.250472 O\n0.246656 0.752920 0.749528 O\n0.752920 0.246656 0.250472 O\n0.752920 0.246656 0.749528 O\n0.437164 0.586298 0.245016 O\n0.437164 0.586298 0.754984 O\n0.586298 0.437164 0.245016 O\n0.586298 0.437164 0.754984 O\n0.846188 0.521826 0.500000 O\n0.480592 0.157338 0.000000 O\n0.157338 0.480592 0.000000 O\n0.521826 0.846188 0.500000 O\n",
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"formula_full": "Ba1 Nb4 Bi4 Pb1 O18",
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{
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"structure_string": "W6 O18\n1.0\n3.060980 -5.301772 0.000000\n3.060980 5.301772 0.000000\n0.000000 0.000000 11.277705\nW O\n6 18\ndirect\n0.667759 0.000000 0.503340 W\n0.667759 0.667759 0.003340 W\n0.000000 0.332241 0.003340 W\n0.000000 0.667759 0.503340 W\n0.332241 0.332241 0.503340 W\n0.332241 0.000000 0.003340 W\n0.666667 0.333333 0.023648 O\n0.333333 0.666667 0.523648 O\n0.666667 0.333333 0.523648 O\n0.333333 0.666667 0.023648 O\n0.000000 0.000000 0.964577 O\n0.000000 0.000000 0.464577 O\n0.385459 0.000000 0.845284 O\n0.385459 0.385459 0.345284 O\n0.000000 0.614541 0.345284 O\n0.000000 0.385459 0.845284 O\n0.614541 0.614541 0.845284 O\n0.614541 0.000000 0.345284 O\n0.265086 0.000000 0.158395 O\n0.265086 0.265086 0.658395 O\n0.000000 0.734914 0.658395 O\n0.000000 0.265086 0.158395 O\n0.734914 0.734914 0.158395 O\n0.734914 0.000000 0.658395 O\n",
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{
"id": "mp-1226440",
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"structure_string": "Cs2 Al2 Si10 O24\n1.0\n-0.021375 0.000000 -5.103900\n-0.010688 -6.978813 -2.551950\n-17.354286 0.000000 -0.071675\nCs Al Si O\n2 2 10 24\ndirect\n0.810075 0.410803 0.267849 Cs\n0.220878 0.589197 0.767849 Cs\n0.986256 0.853333 0.341696 Al\n0.839588 0.146667 0.841696 Al\n0.366719 0.050062 0.411546 Si\n0.428867 0.950044 0.586816 Si\n0.378911 0.049956 0.086816 Si\n0.416780 0.949938 0.911546 Si\n0.300245 0.483662 0.446074 Si\n0.779748 0.520399 0.551419 Si\n0.300147 0.479601 0.051419 Si\n0.783907 0.516338 0.946074 Si\n0.844294 0.150078 0.654601 Si\n0.994373 0.849922 0.154601 Si\n0.121246 0.037247 0.355829 O\n0.163044 0.991921 0.646511 O\n0.154965 0.008079 0.146511 O\n0.158493 0.962753 0.855829 O\n0.211824 0.633680 0.376442 O\n0.841598 0.353968 0.617200 O\n0.195565 0.646032 0.117200 O\n0.845504 0.366320 0.876442 O\n0.598847 0.480908 0.481440 O\n0.075753 0.527582 0.518257 O\n0.603335 0.472418 0.018257 O\n0.079755 0.519092 0.981440 O\n0.937532 0.818433 0.243443 O\n0.755965 0.181567 0.743443 O\n0.667878 0.906249 0.387700 O\n0.621892 0.077530 0.607717 O\n0.699422 0.922470 0.107717 O\n0.574126 0.093751 0.887700 O\n0.302042 0.003311 0.501444 O\n0.305353 0.996689 0.001444 O\n0.350045 0.275404 0.407298 O\n0.613867 0.721844 0.596717 O\n0.335711 0.278156 0.096717 O\n0.625449 0.724596 0.907298 O\n",
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