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{
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"results": [
{
"id": "mp-37091",
"created_at": "2022-09-04T14:42:53.896874Z",
"structure_string": "Sr1 Al2 Te4\n1.0\n-4.216842 4.216842 3.366363\n4.216842 -4.216842 3.366363\n4.216842 4.216842 -3.366363\nSr Al Te\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.921915 0.078085 0.500000 Te\n0.078085 0.578085 0.156169 Te\n0.421915 0.921915 0.843831 Te\n0.578085 0.421915 0.500000 Te\n",
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"volume": 239.439387993077,
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{
"id": "mp-571478",
"created_at": "2022-09-04T14:46:05.425386Z",
"structure_string": "Sn4 Hg28 As16 I24\n1.0\n13.504710 0.000000 0.000000\n0.000000 13.504710 0.000000\n0.000000 0.000000 13.504710\nSn Hg As I\n4 28 16 24\ndirect\n0.764977 0.764977 0.764977 Sn\n0.235023 0.264977 0.735023 Sn\n0.264977 0.735023 0.235023 Sn\n0.735023 0.235023 0.264977 Sn\n0.318307 0.097976 0.076474 Hg\n0.068806 0.499781 0.751055 Hg\n0.431194 0.500219 0.251055 Hg\n0.931194 0.999781 0.748945 Hg\n0.535098 0.464902 0.964902 Hg\n0.681693 0.597976 0.423526 Hg\n0.576474 0.181693 0.902024 Hg\n0.035098 0.035098 0.035098 Hg\n0.181693 0.902024 0.576474 Hg\n0.248945 0.568806 0.000219 Hg\n0.902024 0.576474 0.181693 Hg\n0.251055 0.431194 0.500219 Hg\n0.748945 0.931194 0.999781 Hg\n0.499781 0.751055 0.068806 Hg\n0.597976 0.423526 0.681693 Hg\n0.097976 0.076474 0.318307 Hg\n0.818307 0.402024 0.923526 Hg\n0.923526 0.818307 0.402024 Hg\n0.500219 0.251055 0.431194 Hg\n0.402024 0.923526 0.818307 Hg\n0.464902 0.964902 0.535098 Hg\n0.423526 0.681693 0.597976 Hg\n0.076474 0.318307 0.097976 Hg\n0.999781 0.748945 0.931194 Hg\n0.568806 0.000219 0.248945 Hg\n0.964902 0.535098 0.464902 Hg\n0.751055 0.068806 0.499781 Hg\n0.000219 0.248945 0.568806 Hg\n0.963819 0.463819 0.036181 As\n0.536181 0.536181 0.536181 As\n0.073767 0.426233 0.573767 As\n0.069162 0.569162 0.930838 As\n0.856357 0.643643 0.356357 As\n0.643643 0.356357 0.856357 As\n0.036181 0.963819 0.463819 As\n0.430838 0.430838 0.430838 As\n0.143643 0.143643 0.143643 As\n0.573767 0.073767 0.426233 As\n0.569162 0.930838 0.069162 As\n0.930838 0.069162 0.569162 As\n0.426233 0.573767 0.073767 As\n0.356357 0.856357 0.643643 As\n0.926233 0.926233 0.926233 As\n0.463819 0.036181 0.963819 As\n0.526307 0.736275 0.314252 I\n0.786849 0.187532 0.055428 I\n0.713151 0.812468 0.555428 I\n0.814252 0.973693 0.263725 I\n0.687532 0.444572 0.213151 I\n0.185748 0.473693 0.236275 I\n0.555428 0.713151 0.812468 I\n0.444572 0.213151 0.687532 I\n0.763725 0.685748 0.026307 I\n0.236275 0.185748 0.473693 I\n0.473693 0.236275 0.185748 I\n0.286849 0.312468 0.944572 I\n0.312468 0.944572 0.286849 I\n0.685748 0.026307 0.763725 I\n0.055428 0.786849 0.187532 I\n0.944572 0.286849 0.312468 I\n0.026307 0.763725 0.685748 I\n0.736275 0.314252 0.526307 I\n0.187532 0.055428 0.786849 I\n0.263725 0.814252 0.973693 I\n0.213151 0.687532 0.444572 I\n0.812468 0.555428 0.713151 I\n0.314252 0.526307 0.736275 I\n0.973693 0.263725 0.814252 I\n",
"nsites": 72,
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"elements": [
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"Hg",
"As",
"I"
],
"chemical_system": "As-Hg-I-Sn",
"density": 6.968478235155344,
"density_atomic": 0.029233223615900993,
"volume": 2462.951091060537,
"volume_molar": 20.600330771336292,
"formula_full": "Sn4 Hg28 As16 I24",
"formula_reduced": "SnHg7(As2I3)2",
"formula_anonymous": "AB4C6D7",
"energy": -159.5369543,
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"total_magnetization": 6.4e-06,
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"updated_at": "2021-11-28T01:37:22.470000Z",
"spacegroup": 198
},
{
"id": "mp-569826",
"created_at": "2022-09-04T14:39:18.945923Z",
"structure_string": "K16 Ge16 Se40\n1.0\n10.033828 0.000000 0.000000\n0.000000 10.250088 0.000000\n0.000000 1.399479 23.947645\nK Ge Se\n16 16 40\ndirect\n0.619576 0.840842 0.656671 K\n0.646324 0.320172 0.739184 K\n0.853676 0.320172 0.239184 K\n0.001959 0.567060 0.604764 K\n0.879467 0.317104 0.002981 K\n0.146324 0.679828 0.760816 K\n0.119576 0.159158 0.843329 K\n0.498041 0.567060 0.104764 K\n0.501959 0.432940 0.895236 K\n0.353676 0.679828 0.260816 K\n0.380424 0.159158 0.343329 K\n0.998041 0.432940 0.395236 K\n0.880424 0.840842 0.156671 K\n0.120533 0.682896 0.997019 K\n0.379467 0.682896 0.497019 K\n0.620533 0.317104 0.502981 K\n0.415625 0.839416 0.879231 Ge\n0.084375 0.839416 0.379231 Ge\n0.257625 0.273831 0.192753 Ge\n0.771568 0.739844 0.468235 Ge\n0.915625 0.160584 0.620769 Ge\n0.728186 0.053727 0.875607 Ge\n0.228186 0.946273 0.624393 Ge\n0.271568 0.260156 0.031765 Ge\n0.228432 0.260156 0.531765 Ge\n0.584375 0.160584 0.120769 Ge\n0.757625 0.726169 0.307247 Ge\n0.728432 0.739844 0.968235 Ge\n0.271814 0.946273 0.124393 Ge\n0.242375 0.273831 0.692753 Ge\n0.771814 0.053727 0.375607 Ge\n0.742375 0.726169 0.807247 Ge\n0.694354 0.630349 0.548907 Se\n0.817628 0.948984 0.795755 Se\n0.317628 0.051016 0.704245 Se\n0.010754 0.061612 0.372197 Se\n0.309646 0.039726 0.536451 Se\n0.812788 0.163285 0.124645 Se\n0.510754 0.938388 0.127803 Se\n0.512291 0.272221 0.033463 Se\n0.805646 0.630349 0.048907 Se\n0.679726 0.618463 0.393605 Se\n0.203703 0.730539 0.132800 Se\n0.182372 0.051016 0.204245 Se\n0.012291 0.727779 0.466537 Se\n0.312788 0.836715 0.375355 Se\n0.690354 0.960274 0.463549 Se\n0.320274 0.381537 0.606395 Se\n0.316392 0.386977 0.767165 Se\n0.498927 0.284505 0.196445 Se\n0.183608 0.386977 0.267165 Se\n0.187212 0.836715 0.875355 Se\n0.683608 0.613023 0.232835 Se\n0.820274 0.618463 0.893605 Se\n0.809646 0.960274 0.963549 Se\n0.687212 0.163285 0.624645 Se\n0.501073 0.715495 0.803555 Se\n0.989246 0.938388 0.627803 Se\n0.179726 0.381537 0.106395 Se\n0.194354 0.369651 0.951093 Se\n0.987709 0.272221 0.533463 Se\n0.816392 0.613023 0.732835 Se\n0.489246 0.061612 0.872197 Se\n0.998927 0.715495 0.303555 Se\n0.190354 0.039726 0.036451 Se\n0.305646 0.369651 0.451093 Se\n0.487709 0.727779 0.966537 Se\n0.796297 0.269461 0.867200 Se\n0.682372 0.948984 0.295755 Se\n0.296297 0.730539 0.632800 Se\n0.001073 0.284505 0.696445 Se\n0.703703 0.269461 0.367200 Se\n",
"nsites": 72,
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"elements": [
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],
"chemical_system": "Ge-K-Se",
"density": 3.3347619453369597,
"density_atomic": 0.029233138143293123,
"volume": 2462.9582923008475,
"volume_molar": 20.600391003117956,
"formula_full": "K16 Ge16 Se40",
"formula_reduced": "K2Ge2Se5",
"formula_anonymous": "A2B2C5",
"energy": -298.64051295,
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"updated_at": "2021-11-28T01:34:42.922000Z",
"spacegroup": 14
},
{
"id": "mp-686086",
"created_at": "2022-09-04T14:46:19.612772Z",
"structure_string": "Tl54 Sb6 Te36\n1.0\n8.985083 0.000000 0.000000\n0.000000 8.985083 0.000000\n0.000000 0.000000 40.677924\nTl Sb Te\n54 6 36\ndirect\n0.143130 0.652027 0.113908 Tl\n0.852411 0.646061 0.052391 Tl\n0.147589 0.353939 0.052391 Tl\n0.856870 0.347973 0.113908 Tl\n0.646481 0.146291 0.280946 Tl\n0.350380 0.142645 0.218702 Tl\n0.646061 0.147589 0.052391 Tl\n0.347973 0.143130 0.113908 Tl\n0.000000 0.000000 0.165861 Tl\n0.649620 0.857355 0.218702 Tl\n0.353519 0.853709 0.280946 Tl\n0.652027 0.856870 0.113908 Tl\n0.353939 0.852411 0.052391 Tl\n0.144728 0.649197 0.447593 Tl\n0.852459 0.646346 0.385891 Tl\n0.142645 0.649620 0.218702 Tl\n0.853709 0.646481 0.280946 Tl\n0.500000 0.500000 0.334247 Tl\n0.147541 0.353654 0.385891 Tl\n0.855272 0.350803 0.447593 Tl\n0.146291 0.353519 0.280946 Tl\n0.857355 0.350380 0.218702 Tl\n0.646346 0.147541 0.614109 Tl\n0.350803 0.144728 0.552407 Tl\n0.646346 0.147541 0.385891 Tl\n0.350803 0.144728 0.447593 Tl\n0.000000 0.000000 0.500000 Tl\n0.649197 0.855272 0.552407 Tl\n0.353654 0.852459 0.614109 Tl\n0.649197 0.855272 0.447593 Tl\n0.353654 0.852459 0.385891 Tl\n0.142645 0.649620 0.781298 Tl\n0.853709 0.646481 0.719054 Tl\n0.144728 0.649197 0.552407 Tl\n0.852459 0.646346 0.614109 Tl\n0.500000 0.500000 0.665753 Tl\n0.146291 0.353519 0.719054 Tl\n0.857355 0.350380 0.781298 Tl\n0.147541 0.353654 0.614109 Tl\n0.855272 0.350803 0.552407 Tl\n0.646061 0.147589 0.947609 Tl\n0.347973 0.143130 0.886092 Tl\n0.646481 0.146291 0.719054 Tl\n0.350380 0.142645 0.781298 Tl\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.834139 Tl\n0.652027 0.856870 0.886092 Tl\n0.353939 0.852411 0.947609 Tl\n0.649620 0.857355 0.781298 Tl\n0.353519 0.853709 0.719054 Tl\n0.143130 0.652027 0.886092 Tl\n0.852411 0.646061 0.947609 Tl\n0.147589 0.353939 0.947609 Tl\n0.856870 0.347973 0.886092 Tl\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.332452 Sb\n0.500000 0.500000 0.500000 Sb\n0.500000 0.500000 0.170036 Sb\n0.000000 0.000000 0.667548 Sb\n0.500000 0.500000 0.829964 Sb\n0.500000 0.500000 0.079941 Te\n0.180112 0.351772 0.167031 Te\n0.648228 0.180112 0.167031 Te\n0.000000 0.000000 0.257078 Te\n0.000000 0.000000 0.085234 Te\n0.678654 0.851071 0.333249 Te\n0.351772 0.819888 0.167031 Te\n0.148929 0.678654 0.333249 Te\n0.819888 0.648228 0.167031 Te\n0.500000 0.500000 0.421540 Te\n0.500000 0.500000 0.242535 Te\n0.179867 0.351432 0.500000 Te\n0.851071 0.321346 0.333249 Te\n0.648568 0.179867 0.500000 Te\n0.321346 0.148929 0.333249 Te\n0.000000 0.000000 0.587698 Te\n0.000000 0.000000 0.412302 Te\n0.678654 0.851071 0.666751 Te\n0.351432 0.820133 0.500000 Te\n0.148929 0.678654 0.666751 Te\n0.820133 0.648568 0.500000 Te\n0.500000 0.500000 0.757465 Te\n0.500000 0.500000 0.578460 Te\n0.180112 0.351772 0.832969 Te\n0.851071 0.321346 0.666751 Te\n0.648228 0.180112 0.832969 Te\n0.321346 0.148929 0.666751 Te\n0.000000 0.000000 0.914766 Te\n0.000000 0.000000 0.742922 Te\n0.649783 0.820060 0.000000 Te\n0.351772 0.819888 0.832969 Te\n0.179940 0.649783 0.000000 Te\n0.819888 0.648228 0.832969 Te\n0.500000 0.500000 0.920059 Te\n0.820060 0.350217 0.000000 Te\n0.350217 0.179940 0.000000 Te\n",
"nsites": 96,
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"elements": [
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],
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"density": 8.272794015631037,
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"volume": 3283.998628863555,
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"formula_full": "Tl54 Sb6 Te36",
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"energy": -307.84913058,
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"updated_at": "2021-11-28T01:37:22.909000Z",
"spacegroup": 83
},
{
"id": "mp-8704",
"created_at": "2022-09-04T14:41:03.558786Z",
"structure_string": "K6 Sb2 Se8\n1.0\n5.685806 -5.888136 0.000000\n5.685806 5.888136 0.000000\n-0.411858 0.000000 8.174895\nK Sb Se\n6 2 8\ndirect\n0.474398 0.999291 0.544940 K\n0.544940 0.474398 0.999291 K\n0.999291 0.544940 0.474398 K\n0.044940 0.499291 0.974398 K\n0.974398 0.044940 0.499291 K\n0.499291 0.974398 0.044940 K\n0.998306 0.998306 0.998306 Sb\n0.498306 0.498306 0.498306 Sb\n0.170721 0.840894 0.800786 Se\n0.682164 0.682164 0.682164 Se\n0.300786 0.340894 0.670721 Se\n0.800786 0.170721 0.840894 Se\n0.840894 0.800786 0.170721 Se\n0.340894 0.670721 0.300786 Se\n0.670721 0.300786 0.340894 Se\n0.182164 0.182164 0.182164 Se\n",
"nsites": 16,
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"elements": [
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],
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"density": 3.3667260364205362,
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"volume": 547.3713330632321,
"volume_molar": 20.602170098097663,
"formula_full": "K6 Sb2 Se8",
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"updated_at": "2021-11-28T01:35:24.484000Z",
"spacegroup": 161
},
{
"id": "mp-567144",
"created_at": "2022-09-04T14:45:26.407873Z",
"structure_string": "Sb4\n1.0\n-4.107000 4.107000 2.028685\n4.107000 -4.107000 2.028685\n4.107000 4.107000 -2.028685\nSb\n4\ndirect\n0.650122 0.849878 0.500000 Sb\n0.150122 0.650122 0.800243 Sb\n0.349878 0.150122 0.500000 Sb\n0.849878 0.349878 0.199757 Sb\n",
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"spacegroup": 140
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{
"id": "mp-683903",
"created_at": "2022-09-04T14:44:16.535752Z",
"structure_string": "Cs6 Nb4 As2 Se22\n1.0\n7.181037 7.825169 0.000000\n-7.181037 7.825169 0.000000\n0.000000 1.312513 10.352338\nCs Nb As Se\n6 4 2 22\ndirect\n0.355174 0.201283 0.654819 Cs\n0.201283 0.355174 0.154819 Cs\n0.955374 0.818736 0.396402 Cs\n0.818736 0.955374 0.896402 Cs\n0.558944 0.712797 0.567433 Cs\n0.712797 0.558944 0.067433 Cs\n0.458016 0.919359 0.169388 Nb\n0.208391 0.805312 0.983606 Nb\n0.919359 0.458016 0.669388 Nb\n0.805312 0.208391 0.483606 Nb\n0.588457 0.252205 0.227476 As\n0.252205 0.588457 0.727476 As\n0.436070 0.106973 0.325149 Se\n0.136649 0.043538 0.926101 Se\n0.378479 0.611240 0.911127 Se\n0.891249 0.468307 0.419267 Se\n0.806580 0.170989 0.235434 Se\n0.487352 0.099350 0.985185 Se\n0.611240 0.378479 0.411127 Se\n0.170989 0.806580 0.735434 Se\n0.663898 0.843290 0.224925 Se\n0.030336 0.694311 0.063976 Se\n0.694311 0.030336 0.563976 Se\n0.099350 0.487352 0.485185 Se\n0.698542 0.349922 0.681604 Se\n0.468307 0.891249 0.919267 Se\n0.186965 0.984148 0.142431 Se\n0.984148 0.186965 0.642431 Se\n0.843290 0.663898 0.724925 Se\n0.823557 0.308405 0.863136 Se\n0.308405 0.823557 0.363136 Se\n0.043538 0.136649 0.426101 Se\n0.349922 0.698542 0.181604 Se\n0.106973 0.436070 0.825149 Se\n",
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"elements": [
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