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{
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"results": [
{
"id": "mp-1219758",
"created_at": "2022-09-04T14:41:23.357581Z",
"structure_string": "Rb4 Cr2 Br2 Cl6\n1.0\n3.620502 -8.283266 0.000000\n3.620502 8.283266 0.000000\n0.000000 0.000000 7.243168\nRb Cr Br Cl\n4 2 2 6\ndirect\n0.863878 0.136122 0.500000 Rb\n0.363878 0.636122 0.000000 Rb\n0.139378 0.860622 0.500000 Rb\n0.639378 0.360622 0.000000 Rb\n0.496535 0.503465 0.500000 Cr\n0.996535 0.003465 0.000000 Cr\n0.655443 0.344557 0.500000 Br\n0.155443 0.844557 0.000000 Br\n0.348180 0.651820 0.500000 Cl\n0.848180 0.151820 0.000000 Cl\n0.739759 0.743174 0.739803 Cl\n0.256826 0.260241 0.260197 Cl\n0.756826 0.760241 0.239803 Cl\n0.239759 0.243174 0.760197 Cl\n",
"nsites": 14,
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"elements": [
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"Br",
"Cl"
],
"chemical_system": "Br-Cl-Cr-Rb",
"density": 3.128096477448428,
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"volume": 434.43914859679666,
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"updated_at": "2021-11-28T01:35:21.611000Z",
"spacegroup": 41
},
{
"id": "mp-1076656",
"created_at": "2022-09-04T14:41:23.358076Z",
"structure_string": "La20 Sm12 Ni28 Ag4 O80\n1.0\n0.015810 -0.010319 11.028186\n11.513124 -0.039031 0.016658\n-5.816404 15.664316 -5.537021\nLa Sm Ni Ag O\n20 12 28 4 80\ndirect\n0.306381 0.061362 0.608149 La\n0.309413 0.565162 0.609474 La\n0.804527 0.063572 0.609017 La\n0.805012 0.563825 0.610636 La\n0.196978 0.435850 0.390464 La\n0.190302 0.436718 0.887414 La\n0.194220 0.936695 0.387728 La\n0.695994 0.435402 0.389534 La\n0.697917 0.936869 0.389182 La\n0.054992 0.302180 0.114530 La\n0.055577 0.296182 0.609078 La\n0.054091 0.798177 0.610348 La\n0.557008 0.297210 0.610219 La\n0.447246 0.202711 0.389515 La\n0.442579 0.205165 0.890016 La\n0.444841 0.702998 0.389243 La\n0.434818 0.695686 0.887209 La\n0.946423 0.202476 0.389129 La\n0.941422 0.198289 0.885231 La\n0.948448 0.704008 0.389622 La\n0.299638 0.066613 0.113712 Sm\n0.308683 0.564671 0.112557 Sm\n0.793591 0.070236 0.112572 Sm\n0.794165 0.560237 0.114275 Sm\n0.186570 0.935400 0.887185 Sm\n0.684744 0.433500 0.888899 Sm\n0.684129 0.934345 0.880159 Sm\n0.057657 0.792142 0.114117 Sm\n0.554159 0.300115 0.112475 Sm\n0.541130 0.794374 0.113485 Sm\n0.554611 0.792623 0.606411 Sm\n0.943414 0.707481 0.886083 Sm\n0.004544 0.000174 0.500109 Ni\n0.004817 0.500592 0.500329 Ni\n0.504999 0.998764 0.499601 Ni\n0.501138 0.496916 0.001404 Ni\n0.504617 0.499960 0.499429 Ni\n0.256417 0.252164 0.000967 Ni\n0.254945 0.249599 0.500090 Ni\n0.253482 0.750214 0.002990 Ni\n0.255097 0.750598 0.500493 Ni\n0.750231 0.251546 0.999908 Ni\n0.754013 0.249986 0.499788 Ni\n0.753881 0.749625 0.499240 Ni\n0.107320 0.096045 0.250268 Ni\n0.109746 0.095769 0.751331 Ni\n0.108729 0.600411 0.250000 Ni\n0.108128 0.599947 0.751069 Ni\n0.608837 0.095473 0.250019 Ni\n0.605911 0.096831 0.749248 Ni\n0.608383 0.597516 0.249434 Ni\n0.611563 0.600033 0.750148 Ni\n0.360085 0.401272 0.247226 Ni\n0.359901 0.402669 0.749021 Ni\n0.356976 0.902501 0.248326 Ni\n0.361124 0.902284 0.748403 Ni\n0.855603 0.400481 0.248353 Ni\n0.855119 0.404354 0.749221 Ni\n0.857674 0.900435 0.247175 Ni\n0.855021 0.898502 0.747084 Ni\n0.999606 0.003940 0.003061 Ag\n0.001405 0.500323 0.000376 Ag\n0.496353 0.000338 0.001694 Ag\n0.747499 0.748589 0.002828 Ag\n0.118569 0.119249 0.483682 O\n0.117486 0.122571 0.975822 O\n0.119044 0.619065 0.483701 O\n0.110525 0.626479 0.974721 O\n0.617642 0.117211 0.481471 O\n0.616178 0.121665 0.979722 O\n0.616707 0.619749 0.482195 O\n0.607545 0.603231 0.973208 O\n0.148221 0.384613 0.032107 O\n0.136221 0.382039 0.518445 O\n0.140000 0.880987 0.028687 O\n0.135651 0.881643 0.518417 O\n0.632381 0.380247 0.023076 O\n0.635335 0.381728 0.516847 O\n0.636813 0.887599 0.041567 O\n0.634374 0.879331 0.518958 O\n0.368157 0.111885 0.482211 O\n0.350180 0.108756 0.968741 O\n0.369430 0.614495 0.482124 O\n0.366883 0.613083 0.987154 O\n0.869301 0.114654 0.483308 O\n0.848423 0.108714 0.969551 O\n0.868175 0.613347 0.481009 O\n0.853143 0.602496 0.960650 O\n0.388566 0.389075 0.024516 O\n0.385518 0.385510 0.515809 O\n0.381140 0.888402 0.030186 O\n0.390370 0.883709 0.518826 O\n0.873203 0.394150 0.024507 O\n0.885565 0.386835 0.516746 O\n0.884777 0.895000 0.032860 O\n0.885310 0.886109 0.516740 O\n0.130146 0.137533 0.158174 O\n0.083968 0.107335 0.638893 O\n0.136314 0.632381 0.156931 O\n0.082813 0.610603 0.638905 O\n0.623700 0.139218 0.157403 O\n0.586345 0.109052 0.637964 O\n0.596661 0.611992 0.138861 O\n0.580557 0.608601 0.635511 O\n0.446160 0.391512 0.360828 O\n0.450809 0.392461 0.861358 O\n0.443464 0.892199 0.361469 O\n0.471728 0.865011 0.845968 O\n0.944723 0.391593 0.361228 O\n0.963151 0.365521 0.844545 O\n0.942991 0.895439 0.363056 O\n0.973370 0.872977 0.844544 O\n0.355898 0.274000 0.138382 O\n0.336025 0.279798 0.636909 O\n0.348729 0.776610 0.140251 O\n0.340101 0.781297 0.635207 O\n0.843758 0.277446 0.136872 O\n0.827636 0.282151 0.634826 O\n0.881197 0.761489 0.155605 O\n0.827597 0.777441 0.633357 O\n0.192075 0.218258 0.364886 O\n0.201505 0.223964 0.861568 O\n0.190146 0.722586 0.365341 O\n0.209159 0.723807 0.863830 O\n0.693999 0.218259 0.364731 O\n0.694043 0.224454 0.861270 O\n0.695361 0.720010 0.362041 O\n0.726783 0.734603 0.844481 O\n0.423812 0.064950 0.246295 O\n0.423651 0.067778 0.749512 O\n0.426393 0.564917 0.246487 O\n0.428022 0.564766 0.749332 O\n0.920796 0.065618 0.245475 O\n0.924804 0.061265 0.747802 O\n0.922323 0.561914 0.246306 O\n0.927404 0.568664 0.753291 O\n0.179370 0.438006 0.252183 O\n0.178696 0.437119 0.749851 O\n0.173391 0.931871 0.246525 O\n0.180795 0.933303 0.754210 O\n0.672699 0.433242 0.246607 O\n0.673049 0.434361 0.754521 O\n0.670947 0.927654 0.246551 O\n0.670260 0.931217 0.745992 O\n",
"nsites": 144,
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"elements": [
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"Sm",
"Ni",
"Ag",
"O"
],
"chemical_system": "Ag-La-Ni-O-Sm",
"density": 6.6374664644355414,
"density_atomic": 0.07251779886353636,
"volume": 1985.7193993295148,
"volume_molar": 8.304362314322907,
"formula_full": "La20 Sm12 Ni28 Ag4 O80",
"formula_reduced": "La5Sm3Ni7AgO20",
"formula_anonymous": "AB3C5D7E20",
"energy": -1039.67160945,
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"updated_at": "2021-11-28T01:35:23.216000Z",
"spacegroup": 1
},
{
"id": "mp-571410",
"created_at": "2022-09-04T14:41:23.361823Z",
"structure_string": "Cs2 Zr12 B2 I28\n1.0\n7.468763 -8.103936 0.000000\n7.468763 8.103936 0.000000\n0.000000 0.000000 13.226738\nCs Zr B I\n2 12 2 28\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Cs\n0.869173 0.869173 0.596706 Zr\n0.369173 0.369173 0.903294 Zr\n0.542683 0.331860 0.108087 Zr\n0.130827 0.130827 0.403294 Zr\n0.957317 0.168140 0.608087 Zr\n0.668140 0.457317 0.891913 Zr\n0.457317 0.668140 0.891913 Zr\n0.168140 0.957317 0.608087 Zr\n0.042683 0.831860 0.391913 Zr\n0.630827 0.630827 0.096706 Zr\n0.331860 0.542683 0.108087 Zr\n0.831860 0.042683 0.391913 Zr\n0.500000 0.500000 0.000000 B\n0.000000 0.000000 0.500000 B\n0.711083 0.464367 0.247041 I\n0.288917 0.535633 0.752959 I\n0.396289 0.896289 0.750000 I\n0.111349 0.359836 0.506785 I\n0.345566 0.345566 0.257435 I\n0.388651 0.140164 0.006785 I\n0.154434 0.154434 0.757435 I\n0.248574 0.751426 0.500000 I\n0.654434 0.654434 0.742565 I\n0.640164 0.888651 0.493215 I\n0.751426 0.248574 0.500000 I\n0.788917 0.035633 0.747041 I\n0.859836 0.611349 0.993215 I\n0.603711 0.103711 0.250000 I\n0.464367 0.711083 0.247041 I\n0.251426 0.748574 0.000000 I\n0.896289 0.396289 0.750000 I\n0.611349 0.859836 0.993215 I\n0.535633 0.288917 0.752959 I\n0.359836 0.111349 0.506785 I\n0.748574 0.251426 0.000000 I\n0.035633 0.788917 0.747041 I\n0.888651 0.640164 0.493215 I\n0.964367 0.211083 0.252959 I\n0.845566 0.845566 0.242565 I\n0.211083 0.964367 0.252959 I\n0.140164 0.388651 0.006785 I\n0.103711 0.603711 0.250000 I\n",
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{
"id": "mp-1147773",
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"structure_string": "K4 Zn2 S4\n1.0\n-3.124443 3.397634 6.334651\n3.124443 -3.397634 6.334651\n3.124443 3.397634 -6.334651\nK Zn S\n4 2 4\ndirect\n0.809193 0.645887 0.163306 K\n0.190807 0.354113 0.836694 K\n0.482581 0.145887 0.336694 K\n0.517419 0.854113 0.663306 K\n0.000000 0.750000 0.750000 Zn\n0.000000 0.250000 0.250000 Zn\n0.709988 0.398094 0.311894 S\n0.290012 0.601906 0.688106 S\n0.086200 0.898094 0.188106 S\n0.913800 0.101906 0.811894 S\n",
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],
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"formula_full": "K4 Zn2 S4",
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"spacegroup": 72
},
{
"id": "mp-567749",
"created_at": "2022-09-04T14:41:23.371889Z",
"structure_string": "Y1 Si2 Os2\n1.0\n-2.096244 2.096244 4.825431\n2.096244 -2.096244 4.825431\n2.096244 2.096244 -4.825431\nY Si Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.370911 0.370911 0.000000 Si\n0.629089 0.629089 0.000000 Si\n0.250000 0.750000 0.500000 Os\n0.750000 0.250000 0.500000 Os\n",
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"formula_full": "Y1 Si2 Os2",
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"updated_at": "2021-11-28T01:35:17.709000Z",
"spacegroup": 139
},
{
"id": "mp-1177149",
"created_at": "2022-09-04T14:41:23.377352Z",
"structure_string": "Li10 Mn8 P16 O56\n1.0\n9.764073 0.000000 0.000000\n0.040860 9.874167 0.000000\n0.036549 2.013022 10.978244\nLi Mn P O\n10 8 16 56\ndirect\n0.712918 0.117579 0.550741 Li\n0.104849 0.089788 0.979455 Li\n0.600205 0.423528 0.020998 Li\n0.204765 0.391766 0.455371 Li\n0.798364 0.602860 0.542717 Li\n0.593894 0.851599 0.047278 Li\n0.095594 0.645065 0.950033 Li\n0.892005 0.909390 0.024943 Li\n0.574866 0.831684 0.543797 Li\n0.282860 0.886188 0.450612 Li\n0.925273 0.197844 0.333362 Mn\n0.226214 0.285459 0.160581 Mn\n0.709237 0.238810 0.827831 Mn\n0.423595 0.303068 0.665823 Mn\n0.580266 0.699786 0.326802 Mn\n0.289289 0.766765 0.167101 Mn\n0.777892 0.723248 0.832024 Mn\n0.071368 0.799483 0.670932 Mn\n0.439993 0.028831 0.243627 P\n0.707977 0.123159 0.118229 P\n0.931073 0.057261 0.758675 P\n0.146634 0.129228 0.566667 P\n0.647045 0.372264 0.429388 P\n0.424971 0.438146 0.241897 P\n0.061627 0.537882 0.238207 P\n0.210516 0.378654 0.880671 P\n0.798594 0.616405 0.112131 P\n0.944686 0.461594 0.755356 P\n0.571686 0.562426 0.750976 P\n0.343092 0.627080 0.581307 P\n0.856447 0.873863 0.437447 P\n0.067657 0.942620 0.243915 P\n0.289505 0.884088 0.882433 P\n0.557455 0.973903 0.766193 P\n0.421809 0.009395 0.378596 O\n0.845647 0.023091 0.453969 O\n0.075711 0.090131 0.274233 O\n0.335007 0.116020 0.161250 O\n0.585377 0.104133 0.217061 O\n0.824882 0.182762 0.184946 O\n0.658404 0.229085 0.005972 O\n0.252175 0.021813 0.908136 O\n0.065578 0.125804 0.693694 O\n0.939960 0.060339 0.892520 O\n0.546356 0.126384 0.789715 O\n0.279926 0.204366 0.583394 O\n0.808651 0.147432 0.703153 O\n0.064075 0.221187 0.464520 O\n0.565376 0.282117 0.533651 O\n0.307300 0.344141 0.305725 O\n0.780135 0.294663 0.412703 O\n0.060394 0.392616 0.197807 O\n0.564571 0.375374 0.303828 O\n0.425746 0.415657 0.111475 O\n0.764972 0.478671 0.084088 O\n0.165671 0.270844 0.995944 O\n0.329597 0.315648 0.817015 O\n0.088523 0.381247 0.783050 O\n0.577891 0.408604 0.731700 O\n0.841473 0.377010 0.846909 O\n0.103316 0.538522 0.366096 O\n0.334119 0.480349 0.557190 O\n0.665579 0.521399 0.442276 O\n0.912883 0.463001 0.624636 O\n0.147602 0.636756 0.138758 O\n0.412447 0.588337 0.261693 O\n0.907697 0.594327 0.224939 O\n0.679080 0.694770 0.159397 O\n0.872650 0.715079 0.005868 O\n0.229274 0.516584 0.913782 O\n0.594641 0.575733 0.881954 O\n0.420008 0.616492 0.711256 O\n0.960537 0.606654 0.791689 O\n0.203356 0.691324 0.599119 O\n0.672367 0.657728 0.669587 O\n0.426412 0.725427 0.486262 O\n0.937327 0.778110 0.537407 O\n0.190904 0.851531 0.297709 O\n0.717220 0.808350 0.423111 O\n0.452502 0.883269 0.197828 O\n0.056777 0.938794 0.110262 O\n0.932112 0.872553 0.308765 O\n0.733524 0.983678 0.085861 O\n0.351314 0.785466 0.995088 O\n0.174092 0.806064 0.825618 O\n0.406874 0.905791 0.777862 O\n0.646118 0.888366 0.865220 O\n0.922016 0.907646 0.730550 O\n0.162415 0.978731 0.553937 O\n0.598441 0.969768 0.636407 O\n",
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"formula_full": "Li10 Mn8 P16 O56",
"formula_reduced": "Li5Mn4(P2O7)4",
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