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{
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{
"id": "mp-1216432",
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"structure_string": "Zn4 Te4 H32 N16\n1.0\n0.000000 -7.251962 0.000000\n-8.536789 0.000000 0.288739\n0.063353 0.000000 -10.891740\nZn Te H N\n4 4 32 16\ndirect\n0.560275 0.446770 0.231949 Zn\n0.439725 0.946770 0.731949 Zn\n0.787100 0.182049 0.487989 Zn\n0.212900 0.682049 0.987989 Zn\n0.443311 0.124792 0.541028 Te\n0.556689 0.624792 0.041028 Te\n0.884014 0.362984 0.309207 Te\n0.115986 0.862984 0.809207 Te\n0.632001 0.108034 0.189831 H\n0.367999 0.608034 0.689831 H\n0.406251 0.746694 0.291043 H\n0.593749 0.246694 0.791043 H\n0.077967 0.248042 0.633293 H\n0.922033 0.748042 0.133293 H\n0.968093 0.923083 0.560670 H\n0.031907 0.423083 0.060670 H\n0.312015 0.266776 0.123639 H\n0.687985 0.766776 0.623639 H\n0.927187 0.480319 0.558555 H\n0.072813 0.980319 0.058555 H\n0.328927 0.202179 0.263888 H\n0.671073 0.702179 0.763888 H\n0.706193 0.862147 0.416125 H\n0.293807 0.362147 0.916125 H\n0.443013 0.005107 0.153030 H\n0.556987 0.505107 0.653030 H\n0.020636 0.494950 0.697478 H\n0.979364 0.994950 0.197478 H\n0.884574 0.737365 0.413026 H\n0.115426 0.237365 0.913026 H\n0.892079 0.234795 0.721560 H\n0.107921 0.734795 0.221560 H\n0.259659 0.474723 0.375195 H\n0.740341 0.974723 0.875195 H\n0.436674 0.537624 0.459177 H\n0.563326 0.037624 0.959177 H\n0.339920 0.765526 0.435752 H\n0.660080 0.265526 0.935752 H\n0.064237 0.986748 0.435315 H\n0.935763 0.486748 0.935315 H\n0.940054 0.276661 0.639950 N\n0.059946 0.776661 0.139950 N\n0.512489 0.107597 0.139141 N\n0.487511 0.607597 0.639141 N\n0.319132 0.701616 0.355099 N\n0.680868 0.201616 0.855099 N\n0.938848 0.963417 0.474645 N\n0.061152 0.463417 0.974645 N\n0.377771 0.541097 0.372539 N\n0.622229 0.041097 0.872539 N\n0.404353 0.236477 0.189379 N\n0.595647 0.736477 0.689379 N\n0.914672 0.444716 0.647368 N\n0.085328 0.944716 0.147368 N\n0.843781 0.850110 0.397078 N\n0.156219 0.350110 0.897078 N\n",
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"updated_at": "2021-11-28T01:37:17.034000Z",
"spacegroup": 7
},
{
"id": "mp-1238362",
"created_at": "2022-09-04T14:39:49.507111Z",
"structure_string": "Zn4 Te4 H32 N16\n1.0\n7.216747 0.000000 0.000000\n0.000000 7.928785 0.000000\n0.000000 7.404623 12.264957\nZn Te H N\n4 4 32 16\ndirect\n0.556173 0.289898 0.267189 Zn\n0.443827 0.289898 0.767189 Zn\n0.782700 0.341564 0.505462 Zn\n0.217300 0.341564 0.005462 Zn\n0.423182 0.230352 0.591397 Te\n0.576818 0.230352 0.091397 Te\n0.878579 0.301529 0.340966 Te\n0.121421 0.301529 0.840966 Te\n0.527683 0.662779 0.165877 H\n0.472317 0.662779 0.665877 H\n0.421822 0.905322 0.320381 H\n0.578178 0.905322 0.820381 H\n0.057771 0.143813 0.641569 H\n0.942229 0.143813 0.141569 H\n0.075845 0.529728 0.585297 H\n0.924155 0.529728 0.085297 H\n0.361063 0.587170 0.112035 H\n0.638937 0.587170 0.612035 H\n0.922544 0.970646 0.556672 H\n0.077456 0.970646 0.056672 H\n0.324010 0.589015 0.225517 H\n0.675990 0.589015 0.725517 H\n0.686089 0.689452 0.429454 H\n0.313911 0.689452 0.929454 H\n0.498466 0.997021 0.153328 H\n0.501534 0.997021 0.653328 H\n0.012728 0.835091 0.679378 H\n0.987272 0.835091 0.179378 H\n0.913070 0.876025 0.417993 H\n0.086930 0.876025 0.917993 H\n0.860158 0.074162 0.714943 H\n0.139842 0.074162 0.214943 H\n0.258220 0.136882 0.395163 H\n0.741780 0.136882 0.895163 H\n0.438824 0.998777 0.459569 H\n0.561176 0.998777 0.959569 H\n0.253441 0.816624 0.418343 H\n0.746559 0.816624 0.918343 H\n0.176078 0.575647 0.352976 H\n0.823922 0.575647 0.852976 H\n0.920437 0.106435 0.641646 N\n0.079563 0.106435 0.141646 N\n0.913180 0.676139 0.026273 N\n0.086820 0.676139 0.526273 N\n0.309990 0.941832 0.350317 N\n0.690010 0.941832 0.850317 N\n0.776146 0.609387 0.492638 N\n0.223854 0.609387 0.992638 N\n0.375058 0.073897 0.384392 N\n0.624942 0.073897 0.884392 N\n0.424815 0.560838 0.184916 N\n0.575185 0.560838 0.684916 N\n0.905528 0.928716 0.636951 N\n0.094472 0.928716 0.136951 N\n0.936777 0.725910 0.462308 N\n0.063223 0.725910 0.962308 N\n",
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"elements": [
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"density_atomic": 0.07979466856765405,
"volume": 701.8012732582541,
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"formula_full": "Zn4 Te4 H32 N16",
"formula_reduced": "ZnTe(H2N)4",
"formula_anonymous": "ABC4D8",
"energy": -264.63656683,
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"updated_at": "2021-11-28T01:34:35.360000Z",
"spacegroup": 7
},
{
"id": "mp-1203210",
"created_at": "2022-09-04T14:45:56.290300Z",
"structure_string": "Zn4 Te4 H48 Se12 N16\n1.0\n6.798332 0.000000 0.000000\n0.000000 13.381338 0.000000\n0.000000 0.000000 13.618090\nZn Te H Se N\n4 4 48 12 16\ndirect\n0.972742 0.436488 0.774905 Zn\n0.027258 0.936488 0.225095 Zn\n0.972742 0.936488 0.725095 Zn\n0.027258 0.436488 0.274905 Zn\n0.388934 0.235291 0.554242 Te\n0.611066 0.735291 0.445758 Te\n0.388934 0.735291 0.945758 Te\n0.611066 0.235291 0.054242 Te\n0.713833 0.287521 0.749872 H\n0.286167 0.787521 0.250128 H\n0.713833 0.787521 0.750128 H\n0.286167 0.287521 0.249872 H\n0.920781 0.267302 0.690168 H\n0.079219 0.767302 0.309832 H\n0.920781 0.767302 0.809832 H\n0.079219 0.267302 0.190168 H\n0.910017 0.252970 0.812356 H\n0.089983 0.752970 0.187644 H\n0.910017 0.752970 0.687644 H\n0.089983 0.252970 0.312356 H\n0.001733 0.568982 0.627441 H\n0.998267 0.068982 0.372559 H\n0.001733 0.068982 0.872559 H\n0.998267 0.568982 0.127441 H\n0.113621 0.462748 0.602580 H\n0.886379 0.962748 0.397420 H\n0.113621 0.962748 0.897420 H\n0.886379 0.462748 0.102580 H\n0.868351 0.470671 0.597108 H\n0.131649 0.970671 0.402892 H\n0.868351 0.970671 0.902892 H\n0.131649 0.470671 0.097108 H\n0.270397 0.415910 0.901247 H\n0.729603 0.915910 0.098753 H\n0.270397 0.915910 0.598753 H\n0.729603 0.415910 0.401247 H\n0.308849 0.350487 0.800159 H\n0.691151 0.850487 0.199841 H\n0.308849 0.850487 0.699841 H\n0.691151 0.350487 0.300159 H\n0.337356 0.474462 0.799985 H\n0.662644 0.974462 0.200015 H\n0.337356 0.974462 0.700015 H\n0.662644 0.474462 0.299985 H\n0.743623 0.482841 0.920229 H\n0.256377 0.982841 0.079771 H\n0.743623 0.982841 0.579771 H\n0.256377 0.482841 0.420229 H\n0.892467 0.578434 0.897405 H\n0.107533 0.078434 0.102595 H\n0.892467 0.078434 0.602595 H\n0.107533 0.578434 0.397405 H\n0.696690 0.559548 0.827989 H\n0.303310 0.059548 0.172011 H\n0.696690 0.059548 0.672011 H\n0.303310 0.559548 0.327989 H\n0.467061 0.420029 0.564132 Se\n0.532939 0.920029 0.435868 Se\n0.467061 0.920029 0.935868 Se\n0.532939 0.420029 0.064132 Se\n0.400812 0.174228 0.730185 Se\n0.599188 0.674228 0.269815 Se\n0.400812 0.674228 0.769815 Se\n0.599188 0.174228 0.230185 Se\n0.028081 0.229956 0.509392 Se\n0.971919 0.729956 0.490608 Se\n0.028081 0.729956 0.990608 Se\n0.971919 0.229956 0.009392 Se\n0.864108 0.296460 0.754583 N\n0.135892 0.796460 0.245417 N\n0.864108 0.796460 0.745417 N\n0.135892 0.296460 0.254583 N\n0.989909 0.493118 0.635912 N\n0.010091 0.993118 0.364088 N\n0.989909 0.993118 0.864088 N\n0.010091 0.493118 0.135912 N\n0.251896 0.417027 0.826395 N\n0.748104 0.917027 0.173605 N\n0.251896 0.917027 0.673605 N\n0.748104 0.417027 0.326395 N\n0.809278 0.523086 0.864148 N\n0.190722 0.023086 0.135852 N\n0.809278 0.023086 0.635852 N\n0.190722 0.523086 0.364148 N\n",
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"elements": [
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"Te",
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],
"chemical_system": "H-N-Se-Te-Zn",
"density": 2.670115104671094,
"density_atomic": 0.06780491495029675,
"volume": 1238.8482466436951,
"volume_molar": 8.881569668532775,
"formula_full": "Zn4 Te4 H48 Se12 N16",
"formula_reduced": "ZnTeH12Se3N4",
"formula_anonymous": "ABC3D4E12",
"energy": -396.65434871,
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"updated_at": "2021-11-28T01:37:11.119000Z",
"spacegroup": 29
},
{
"id": "mp-560198",
"created_at": "2022-09-04T14:39:44.675582Z",
"structure_string": "Zn2 Te12 O26\n1.0\n7.125582 -5.161952 0.000000\n7.125582 5.161952 0.000000\n3.386133 0.000000 8.121192\nZn Te O\n2 12 26\ndirect\n0.742643 0.742643 0.742643 Zn\n0.257357 0.257357 0.257357 Zn\n0.012105 0.333761 0.940996 Te\n0.333761 0.940996 0.012105 Te\n0.987895 0.666239 0.059004 Te\n0.469191 0.175519 0.578693 Te\n0.059004 0.987895 0.666239 Te\n0.940996 0.012105 0.333761 Te\n0.666239 0.059004 0.987895 Te\n0.824481 0.421307 0.530809 Te\n0.421307 0.530809 0.824481 Te\n0.578693 0.469191 0.175519 Te\n0.530809 0.824481 0.421307 Te\n0.175519 0.578693 0.469191 Te\n0.701305 0.625296 0.385738 O\n0.614262 0.298695 0.374704 O\n0.087504 0.087504 0.087504 O\n0.625296 0.385738 0.701305 O\n0.696860 0.947006 0.200995 O\n0.455751 0.363694 0.115989 O\n0.897118 0.921756 0.602656 O\n0.397344 0.102882 0.078244 O\n0.636306 0.884011 0.544249 O\n0.115989 0.455751 0.363694 O\n0.921756 0.602656 0.897118 O\n0.385738 0.701305 0.625296 O\n0.303140 0.052994 0.799005 O\n0.544249 0.636306 0.884011 O\n0.884011 0.544249 0.636306 O\n0.912496 0.912496 0.912496 O\n0.374704 0.614262 0.298695 O\n0.298695 0.374704 0.614262 O\n0.200995 0.696860 0.947006 O\n0.363694 0.115989 0.455751 O\n0.078244 0.397344 0.102882 O\n0.052994 0.799005 0.303140 O\n0.602656 0.897118 0.921756 O\n0.947006 0.200995 0.696860 O\n0.799005 0.303140 0.052994 O\n0.102882 0.078244 0.397344 O\n",
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"formula_full": "Zn2 Te12 O26",
"formula_reduced": "ZnTe6O13",
"formula_anonymous": "AB6C13",
"energy": -229.4700994,
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"spacegroup": 148
},
{
"id": "mp-1042155",
"created_at": "2022-09-04T14:45:10.134528Z",
"structure_string": "Zn2 Te4 O14\n1.0\n7.820243 0.000000 0.000000\n0.000000 6.174868 -1.935027\n0.000000 -1.596424 8.050047\nZn Te O\n2 4 14\ndirect\n0.824040 0.595790 0.671589 Zn\n0.324040 0.404210 0.328411 Zn\n0.889015 0.260588 0.197274 Te\n0.389015 0.739412 0.802726 Te\n0.306384 0.859836 0.254572 Te\n0.806384 0.140164 0.745428 Te\n0.619672 0.031979 0.599562 O\n0.119671 0.968021 0.400438 O\n0.260774 0.548495 0.596745 O\n0.760774 0.451505 0.403255 O\n0.938832 0.360047 0.721823 O\n0.438832 0.639953 0.278177 O\n0.599412 0.601456 0.790758 O\n0.099412 0.398544 0.209242 O\n0.937607 0.897565 0.738190 O\n0.437607 0.102435 0.261810 O\n0.761455 0.314733 0.014787 O\n0.261455 0.685267 0.985213 O\n0.887864 0.949173 0.119309 O\n0.387864 0.050827 0.880691 O\n",
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"volume": 364.57076725076166,
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"formula_full": "Zn2 Te4 O14",
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"formula_anonymous": "AB2C7",
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"updated_at": "2021-11-28T01:36:50.352000Z",
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},
{
"id": "mp-779552",
"created_at": "2022-09-04T14:48:23.728404Z",
"structure_string": "Zn8 Te16 O40\n1.0\n8.653339 0.000000 0.000000\n0.000000 9.112506 0.000000\n0.000000 0.000000 12.359378\nZn Te O\n8 16 40\ndirect\n0.518365 0.014786 0.123010 Zn\n0.518365 0.014786 0.376990 Zn\n0.018365 0.485214 0.623010 Zn\n0.018365 0.485214 0.876990 Zn\n0.981635 0.514786 0.123010 Zn\n0.981635 0.514786 0.376990 Zn\n0.481635 0.985214 0.876990 Zn\n0.481635 0.985214 0.623010 Zn\n0.198569 0.104756 0.250000 Te\n0.838554 0.149468 0.514648 Te\n0.838554 0.149468 0.985352 Te\n0.182222 0.166684 0.750000 Te\n0.682222 0.333316 0.250000 Te\n0.338554 0.350532 0.014648 Te\n0.338554 0.350532 0.485352 Te\n0.698569 0.395244 0.750000 Te\n0.301431 0.604756 0.250000 Te\n0.661446 0.649468 0.514648 Te\n0.661446 0.649468 0.985352 Te\n0.317778 0.666684 0.750000 Te\n0.817778 0.833316 0.250000 Te\n0.161446 0.850532 0.014648 Te\n0.161446 0.850532 0.485352 Te\n0.801431 0.895244 0.750000 Te\n0.906676 0.008327 0.627733 O\n0.906676 0.008327 0.872267 O\n0.633481 0.031483 0.750000 O\n0.620407 0.118038 0.512231 O\n0.620407 0.118038 0.987769 O\n0.657984 0.123661 0.250000 O\n0.322291 0.156138 0.630548 O\n0.322291 0.156138 0.869452 O\n0.349709 0.191461 0.114182 O\n0.349709 0.191461 0.385818 O\n0.849709 0.308539 0.614182 O\n0.849709 0.308539 0.885818 O\n0.822291 0.343862 0.130548 O\n0.822291 0.343862 0.369452 O\n0.157984 0.376339 0.750000 O\n0.120407 0.381962 0.012231 O\n0.120407 0.381962 0.487769 O\n0.133481 0.468517 0.250000 O\n0.406676 0.491673 0.372267 O\n0.406676 0.491673 0.127733 O\n0.593324 0.508327 0.872267 O\n0.593324 0.508327 0.627733 O\n0.866519 0.531483 0.750000 O\n0.879593 0.618038 0.512231 O\n0.879593 0.618038 0.987769 O\n0.842016 0.623661 0.250000 O\n0.177709 0.656138 0.869452 O\n0.177709 0.656138 0.630548 O\n0.150291 0.691461 0.114182 O\n0.150291 0.691461 0.385818 O\n0.650291 0.808539 0.885818 O\n0.650291 0.808539 0.614182 O\n0.677709 0.843862 0.130548 O\n0.677709 0.843862 0.369452 O\n0.342016 0.876339 0.750000 O\n0.379593 0.881962 0.012231 O\n0.379593 0.881962 0.487769 O\n0.366519 0.968517 0.250000 O\n0.093324 0.991673 0.127733 O\n0.093324 0.991673 0.372267 O\n",
"nsites": 64,
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"elements": [
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],
"chemical_system": "O-Te-Zn",
"density": 5.4605749694373245,
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"volume": 974.5814930297074,
"volume_molar": 9.170417082993527,
"formula_full": "Zn8 Te16 O40",
"formula_reduced": "ZnTe2O5",
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