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{
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{
"id": "mp-777812",
"created_at": "2022-09-04T14:47:09.571118Z",
"structure_string": "Li6 Mn2 F12\n1.0\n4.475520 2.549780 0.000000\n-4.475520 2.549780 0.000000\n0.000000 0.440409 9.636684\nLi Mn F\n6 2 12\ndirect\n0.355692 0.668564 0.051123 Li\n0.993408 0.980499 0.749081 Li\n0.980499 0.993408 0.249081 Li\n0.324999 0.665562 0.448561 Li\n0.665562 0.324999 0.948561 Li\n0.668564 0.355692 0.551123 Li\n0.333274 0.665448 0.750294 Mn\n0.665448 0.333274 0.250294 Mn\n0.321748 0.362980 0.633230 F\n0.036017 0.355657 0.868543 F\n0.657713 0.668275 0.874717 F\n0.639389 0.974191 0.633727 F\n0.022098 0.680860 0.623726 F\n0.680860 0.022098 0.123726 F\n0.329985 0.960782 0.866721 F\n0.960782 0.329985 0.366721 F\n0.355657 0.036017 0.368543 F\n0.362980 0.321748 0.133230 F\n0.974191 0.639389 0.133727 F\n0.668275 0.657713 0.374717 F\n",
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},
{
"id": "mp-867739",
"created_at": "2022-09-04T14:47:07.094480Z",
"structure_string": "Nb6 Ge2 S12\n1.0\n2.911979 -5.043696 0.000000\n2.911979 5.043696 0.000000\n0.000000 0.000000 13.659647\nNb Ge S\n6 2 12\ndirect\n0.333333 0.666667 0.250000 Nb\n0.000000 0.000000 0.250000 Nb\n0.000000 0.000000 0.750000 Nb\n0.333333 0.666667 0.750000 Nb\n0.666667 0.333333 0.750000 Nb\n0.666667 0.333333 0.250000 Nb\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n0.000000 0.665666 0.635135 S\n0.000000 0.665666 0.864865 S\n0.000000 0.334334 0.135135 S\n0.000000 0.334334 0.364865 S\n0.334334 0.334334 0.635135 S\n0.334334 0.334334 0.864865 S\n0.665666 0.665666 0.135135 S\n0.665666 0.665666 0.364865 S\n0.334334 0.000000 0.135135 S\n0.334334 0.000000 0.364865 S\n0.665666 0.000000 0.635135 S\n0.665666 0.000000 0.864865 S\n",
"nsites": 20,
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"density": 4.500606709387196,
"density_atomic": 0.04984520457116756,
"volume": 401.24220919676577,
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"formula_full": "Nb6 Ge2 S12",
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"updated_at": "2021-11-28T01:37:55.151000Z",
"spacegroup": 193
},
{
"id": "mp-26762",
"created_at": "2022-09-04T14:47:06.155403Z",
"structure_string": "Sn4 P12 O36\n1.0\n8.849406 0.000000 0.000000\n0.000000 8.949357 0.000000\n0.000000 0.000000 9.098920\nSn P O\n4 12 36\ndirect\n0.127291 0.856597 0.154130 Sn\n0.372709 0.143403 0.654130 Sn\n0.627291 0.643403 0.845870 Sn\n0.872709 0.356597 0.345870 Sn\n0.032609 0.324701 0.688760 P\n0.195933 0.481918 0.187745 P\n0.195934 0.805592 0.563068 P\n0.304066 0.194408 0.063068 P\n0.304067 0.518082 0.687745 P\n0.467391 0.675299 0.188760 P\n0.532609 0.175299 0.311240 P\n0.695933 0.018082 0.812255 P\n0.695934 0.694408 0.436932 P\n0.804066 0.305592 0.936932 P\n0.804067 0.981918 0.312255 P\n0.967391 0.824701 0.811240 P\n0.042417 0.783279 0.657007 O\n0.086555 0.881238 0.915875 O\n0.109808 0.607121 0.115432 O\n0.126916 0.193335 0.639854 O\n0.125288 0.404243 0.318305 O\n0.139341 0.461578 0.740164 O\n0.150599 0.840773 0.408818 O\n0.194576 0.095128 0.144482 O\n0.236995 0.362646 0.061670 O\n0.263005 0.637354 0.561670 O\n0.305424 0.904872 0.644482 O\n0.349401 0.159227 0.908818 O\n0.360659 0.538422 0.240164 O\n0.374712 0.595757 0.818305 O\n0.373084 0.806665 0.139854 O\n0.390192 0.392879 0.615432 O\n0.413445 0.118762 0.415875 O\n0.457583 0.216721 0.157007 O\n0.542417 0.716721 0.342993 O\n0.586555 0.618762 0.084125 O\n0.609808 0.892879 0.884568 O\n0.626916 0.306665 0.360146 O\n0.625288 0.095757 0.681695 O\n0.639341 0.038422 0.259836 O\n0.650599 0.659227 0.591182 O\n0.694576 0.404872 0.855518 O\n0.736995 0.137354 0.938330 O\n0.763005 0.862646 0.438330 O\n0.805424 0.595128 0.355518 O\n0.849401 0.340773 0.091182 O\n0.860659 0.961578 0.759836 O\n0.874712 0.904243 0.181695 O\n0.873084 0.693335 0.860146 O\n0.890192 0.107121 0.384568 O\n0.913445 0.381238 0.584125 O\n0.957583 0.283279 0.842993 O\n",
"nsites": 52,
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"elements": [
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],
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"formula_full": "Sn4 P12 O36",
"formula_reduced": "Sn(PO3)3",
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},
{
"id": "mp-18033",
"created_at": "2022-09-04T14:47:01.539504Z",
"structure_string": "Na4 Cu2 Si8 O20\n1.0\n6.834510 0.103587 -1.522930\n-3.767279 6.607011 -1.697019\n-0.086430 -0.106204 9.922475\nNa Cu Si O\n4 2 8 20\ndirect\n0.341532 0.243240 0.024692 Na\n0.658468 0.756760 0.975308 Na\n0.266297 0.717987 0.579050 Na\n0.733703 0.282013 0.420950 Na\n0.767017 0.726699 0.573250 Cu\n0.232983 0.273301 0.426750 Cu\n0.929350 0.294867 0.150125 Si\n0.070650 0.705133 0.849875 Si\n0.816837 0.621284 0.249102 Si\n0.413215 0.657753 0.264353 Si\n0.586785 0.342247 0.735647 Si\n0.769378 0.065027 0.811435 Si\n0.230622 0.934973 0.188565 Si\n0.183163 0.378716 0.750898 Si\n0.815484 0.105949 0.990542 O\n0.240412 0.605083 0.856426 O\n0.670767 0.827401 0.734193 O\n0.329233 0.172599 0.265807 O\n0.832378 0.534679 0.848752 O\n0.167622 0.465321 0.151248 O\n0.889140 0.647394 0.420142 O\n0.110860 0.352606 0.579858 O\n0.950823 0.218422 0.286192 O\n0.049177 0.781578 0.713808 O\n0.479044 0.664782 0.431371 O\n0.581607 0.626224 0.179602 O\n0.585486 0.133804 0.746638 O\n0.414514 0.866196 0.253362 O\n0.008370 0.208056 0.798551 O\n0.991630 0.791944 0.201449 O\n0.184516 0.894051 0.009458 O\n0.520956 0.335218 0.568629 O\n0.418393 0.373776 0.820398 O\n0.759588 0.394917 0.143574 O\n",
"nsites": 34,
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],
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"density": 2.823017922499125,
"density_atomic": 0.0756846037031398,
"volume": 449.23271493049384,
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"formula_full": "Na4 Cu2 Si8 O20",
"formula_reduced": "Na2Cu(Si2O5)2",
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"energy": -250.47286734,
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"updated_at": "2021-11-28T01:37:55.155000Z",
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},
{
"id": "mp-752491",
"created_at": "2022-09-04T14:47:03.554188Z",
"structure_string": "Li3 V1 Cr1 P4 O14\n1.0\n5.001674 -0.009329 0.019629\n2.296429 0.020637 -6.676361\n-0.044646 8.332919 -0.065464\nLi V Cr P O\n3 1 1 4 14\ndirect\n0.175605 0.341857 0.858801 Li\n0.726263 0.092088 0.660843 Li\n0.824947 0.664369 0.353000 Li\n0.207063 0.276092 0.492400 V\n0.787007 0.724744 0.004444 Cr\n0.395931 0.480188 0.178829 P\n0.212482 0.909057 0.795184 P\n0.781650 0.083422 0.280519 P\n0.607609 0.524155 0.684576 P\n0.039725 0.144973 0.307767 O\n0.130390 0.109301 0.702553 O\n0.189104 0.527300 0.033951 O\n0.243306 0.508349 0.338549 O\n0.447413 0.370618 0.690688 O\n0.622767 0.073595 0.437317 O\n0.566674 0.244975 0.157004 O\n0.378029 0.744816 0.665162 O\n0.404040 0.905572 0.937981 O\n0.611788 0.593756 0.172552 O\n0.768336 0.517469 0.844221 O\n0.799278 0.501461 0.540832 O\n0.843053 0.884187 0.191229 O\n0.931924 0.872751 0.832705 O\n",
"nsites": 23,
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"elements": [
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],
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"density_atomic": 0.08254801898169628,
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"formula_full": "Li3 V1 Cr1 P4 O14",
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},
{
"id": "mp-1179588",
"created_at": "2022-09-04T14:47:08.539234Z",
"structure_string": "Sb4 S8 N4\n1.0\n9.943523 2.976645 -2.149915\n0.404680 5.453786 -2.140449\n-0.034949 -0.293547 7.727245\nSb S N\n4 8 4\ndirect\n0.382466 0.194172 0.703159 Sb\n0.617534 0.805828 0.296841 Sb\n0.104959 0.142505 0.834631 Sb\n0.895041 0.857495 0.165369 Sb\n0.634778 0.639682 0.893974 S\n0.365222 0.360318 0.106026 S\n0.757461 0.871817 0.737962 S\n0.242539 0.128183 0.262038 S\n0.311894 0.818362 0.672552 S\n0.688106 0.181638 0.327448 S\n0.115292 0.469415 0.731145 S\n0.884708 0.530585 0.268855 S\n0.623532 0.902392 0.609207 N\n0.376468 0.097608 0.390793 N\n0.761026 0.736992 0.892071 N\n0.238974 0.263008 0.107929 N\n",
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{
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"structure_string": "Mg8 H16\n1.0\n4.757081 0.000000 0.000000\n0.000000 4.905158 0.000000\n0.000000 0.000000 9.319372\nMg H\n8 16\ndirect\n0.269387 0.030691 0.116727 Mg\n0.230613 0.530691 0.883273 Mg\n0.730613 0.469309 0.616727 Mg\n0.769387 0.469309 0.116727 Mg\n0.769387 0.969309 0.383273 Mg\n0.269387 0.530691 0.383273 Mg\n0.230613 0.030691 0.616727 Mg\n0.730613 0.969309 0.883273 Mg\n0.512533 0.242848 0.473946 H\n0.012533 0.257152 0.473946 H\n0.012533 0.757152 0.026054 H\n0.987467 0.742848 0.526054 H\n0.333905 0.383443 0.701416 H\n0.333905 0.883443 0.798584 H\n0.487467 0.257152 0.973946 H\n0.987467 0.242848 0.973946 H\n0.833905 0.616557 0.798584 H\n0.833905 0.116557 0.701416 H\n0.512533 0.742848 0.026054 H\n0.487467 0.757152 0.526054 H\n0.666095 0.116557 0.201416 H\n0.166095 0.883443 0.298584 H\n0.166095 0.383443 0.201416 H\n0.666095 0.616557 0.298584 H\n",
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{
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"structure_string": "K3 I1 O1\n1.0\n5.381152 0.000000 0.000000\n0.000000 5.381152 0.000000\n0.000000 0.000000 5.381152\nK I O\n3 1 1\ndirect\n0.500000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 I\n0.000000 0.000000 0.000000 O\n",
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"formula_full": "K3 I1 O1",
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{
"id": "mp-1044455",
"created_at": "2022-09-04T14:47:11.633669Z",
"structure_string": "Cr12 O28\n1.0\n5.287549 0.000000 0.000000\n0.000000 10.538800 0.000000\n0.000000 0.000000 11.263933\nCr O\n12 28\ndirect\n0.294738 0.020072 0.303047 Cr\n0.794738 0.979928 0.196953 Cr\n0.705262 0.520072 0.696953 Cr\n0.205262 0.479928 0.803047 Cr\n0.296222 0.750000 0.226368 Cr\n0.796222 0.250000 0.273632 Cr\n0.703778 0.250000 0.773632 Cr\n0.203778 0.750000 0.726368 Cr\n0.794738 0.520072 0.196953 Cr\n0.294738 0.479928 0.303047 Cr\n0.205262 0.020072 0.803047 Cr\n0.705262 0.979928 0.696953 Cr\n0.937028 0.113605 0.731126 O\n0.437028 0.886395 0.768874 O\n0.062972 0.613605 0.268874 O\n0.562972 0.386395 0.231126 O\n0.062972 0.886395 0.268874 O\n0.562972 0.113605 0.231126 O\n0.937028 0.386395 0.731126 O\n0.437028 0.613605 0.768874 O\n0.468348 0.113117 0.727197 O\n0.968348 0.886883 0.772803 O\n0.531652 0.613117 0.272803 O\n0.031652 0.386884 0.227197 O\n0.531652 0.886883 0.272803 O\n0.031652 0.113117 0.227197 O\n0.468348 0.386884 0.727197 O\n0.968348 0.613117 0.772803 O\n0.190453 0.750000 0.581982 O\n0.690453 0.250000 0.918018 O\n0.809547 0.250000 0.418018 O\n0.309547 0.750000 0.081982 O\n0.214859 0.442593 0.938932 O\n0.714859 0.557406 0.561068 O\n0.785141 0.942594 0.061068 O\n0.285141 0.057407 0.438932 O\n0.785141 0.557406 0.061068 O\n0.285141 0.442593 0.438932 O\n0.214859 0.057407 0.938932 O\n0.714859 0.942594 0.561068 O\n",
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{
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{
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"formula_full": "Ta2 Rh2 O8",
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{
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}