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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=12110",
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"results": [
{
"id": "mp-1229157",
"created_at": "2022-09-04T14:47:16.034270Z",
"structure_string": "Ag2 Sb6 Pb2 S12\n1.0\n0.000000 0.000000 4.211703\n6.521926 0.000000 2.105852\n0.000000 19.350776 0.000000\nAg Sb Pb S\n2 6 2 12\ndirect\n0.589154 0.821692 0.129839 Ag\n0.410846 0.178308 0.629839 Ag\n0.858178 0.283644 0.057921 Sb\n0.119419 0.761162 0.951104 Sb\n0.880581 0.238838 0.451104 Sb\n0.141822 0.716356 0.557921 Sb\n0.382261 0.235477 0.865697 Sb\n0.617739 0.764523 0.365697 Sb\n0.665383 0.669234 0.739977 Pb\n0.334617 0.330766 0.239977 Pb\n0.961181 0.077638 0.162613 S\n0.010624 0.978751 0.841311 S\n0.989376 0.021249 0.341311 S\n0.038819 0.922362 0.662613 S\n0.682203 0.635594 0.245506 S\n0.317797 0.364406 0.745506 S\n0.740889 0.518222 0.899287 S\n0.252861 0.494278 0.093223 S\n0.747139 0.505722 0.593223 S\n0.259111 0.481778 0.399287 S\n0.515702 0.968595 0.005020 S\n0.484298 0.031405 0.505020 S\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ag",
"Sb",
"Pb",
"S"
],
"chemical_system": "Ag-Pb-S-Sb",
"density": 5.45294463330292,
"density_atomic": 0.04138954862356606,
"volume": 531.535151544847,
"volume_molar": 14.549906824959095,
"formula_full": "Ag2 Sb6 Pb2 S12",
"formula_reduced": "AgSb3PbS6",
"formula_anonymous": "ABC3D6",
"energy": -98.88299261,
"energy_per_atom": -4.4946814822727275,
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"band_gap": 0.1754999999999995,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.171000Z",
"spacegroup": 36
},
{
"id": "mp-1229272",
"created_at": "2022-09-04T14:39:21.298892Z",
"structure_string": "Ag2 Sb6 Pb2 S12\n1.0\n0.000000 0.000000 5.463259\n10.719602 7.376540 0.000000\n-9.997830 6.204830 0.000000\nAg Sb Pb S\n2 6 2 12\ndirect\n0.384285 0.943524 0.256470 Ag\n0.615715 0.443524 0.756470 Ag\n0.638338 0.703243 0.044303 Sb\n0.711937 0.772476 0.499010 Sb\n0.280970 0.549500 0.244331 Sb\n0.719030 0.049500 0.744331 Sb\n0.288063 0.272476 0.999010 Sb\n0.361662 0.203243 0.544303 Sb\n0.662810 0.255660 0.287086 Pb\n0.337190 0.755660 0.787086 Pb\n0.540840 0.102259 0.955612 S\n0.519510 0.373571 0.530884 S\n0.480490 0.873571 0.030884 S\n0.459160 0.602259 0.455612 S\n0.192082 0.290185 0.209949 S\n0.807918 0.790185 0.709949 S\n0.592631 0.432866 0.090960 S\n0.407369 0.932866 0.590960 S\n0.348134 0.589104 0.887606 S\n0.651866 0.089104 0.387606 S\n0.411440 0.737612 0.243788 S\n0.588560 0.237612 0.743788 S\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ag",
"Sb",
"Pb",
"S"
],
"chemical_system": "Ag-Pb-S-Sb",
"density": 3.782414250961574,
"density_atomic": 0.028709702570337194,
"volume": 766.2914635253085,
"volume_molar": 20.975977529708246,
"formula_full": "Ag2 Sb6 Pb2 S12",
"formula_reduced": "AgSb3PbS6",
"formula_anonymous": "ABC3D6",
"energy": -97.13039254,
"energy_per_atom": -4.415017842727273,
"energy_above_hull": null,
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"band_gap": 1.5029,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.900000Z",
"spacegroup": 7
},
{
"id": "mp-1198276",
"created_at": "2022-09-04T14:40:29.823018Z",
"structure_string": "Ag16 Sb48 Pb16 S96\n1.0\n0.026455 0.000000 -13.257310\n0.000000 -17.279359 0.000000\n-19.461453 0.000000 0.041630\nAg Sb Pb S\n16 48 16 96\ndirect\n0.650674 0.313672 0.643943 Ag\n0.849326 0.813672 0.356057 Ag\n0.349326 0.686328 0.356057 Ag\n0.150674 0.186328 0.643943 Ag\n0.165795 0.678039 0.856868 Ag\n0.334205 0.178039 0.143132 Ag\n0.834205 0.321961 0.143132 Ag\n0.665795 0.821961 0.856868 Ag\n0.674598 0.552343 0.644394 Ag\n0.825402 0.052343 0.355606 Ag\n0.325402 0.447657 0.355606 Ag\n0.174598 0.947657 0.644394 Ag\n0.165591 0.432818 0.866921 Ag\n0.334409 0.932818 0.133079 Ag\n0.834409 0.567182 0.133079 Ag\n0.665591 0.067182 0.866921 Ag\n0.153570 0.189828 0.876968 Sb\n0.346430 0.689828 0.123032 Sb\n0.846430 0.810172 0.123032 Sb\n0.653570 0.310172 0.876968 Sb\n0.114128 0.800423 0.044213 Sb\n0.385872 0.300423 0.955787 Sb\n0.885872 0.199577 0.955787 Sb\n0.614128 0.699577 0.044213 Sb\n0.375961 0.316597 0.553925 Sb\n0.124039 0.816597 0.446075 Sb\n0.624039 0.683403 0.446075 Sb\n0.875961 0.183403 0.553925 Sb\n0.874676 0.685422 0.552353 Sb\n0.625324 0.185422 0.447647 Sb\n0.125324 0.314578 0.447647 Sb\n0.374676 0.814578 0.552353 Sb\n0.365562 0.828157 0.941640 Sb\n0.134438 0.328157 0.058360 Sb\n0.634438 0.171843 0.058360 Sb\n0.865562 0.671843 0.941640 Sb\n0.125908 0.689944 0.636501 Sb\n0.374092 0.189944 0.363499 Sb\n0.874092 0.310056 0.363499 Sb\n0.625908 0.810056 0.636501 Sb\n0.622581 0.567112 0.851555 Sb\n0.877419 0.067112 0.148445 Sb\n0.377419 0.432888 0.148445 Sb\n0.122581 0.932888 0.851555 Sb\n0.376385 0.564440 0.939332 Sb\n0.123615 0.064440 0.060668 Sb\n0.623615 0.435560 0.060668 Sb\n0.876385 0.935560 0.939332 Sb\n0.147341 0.433841 0.627153 Sb\n0.352659 0.933841 0.372847 Sb\n0.852659 0.566159 0.372847 Sb\n0.647341 0.066159 0.627153 Sb\n0.868098 0.420808 0.559633 Sb\n0.631902 0.920808 0.440367 Sb\n0.131902 0.579192 0.440367 Sb\n0.368098 0.079192 0.559633 Sb\n0.381248 0.063269 0.954767 Sb\n0.118752 0.563269 0.045233 Sb\n0.618752 0.936731 0.045233 Sb\n0.881248 0.436731 0.954767 Sb\n0.619842 0.447138 0.454627 Sb\n0.880158 0.947138 0.545373 Sb\n0.380158 0.552862 0.545373 Sb\n0.119842 0.052862 0.454627 Sb\n0.927519 0.325126 0.756575 Pb\n0.572481 0.825126 0.243425 Pb\n0.072481 0.674874 0.243425 Pb\n0.427519 0.174874 0.756575 Pb\n0.897458 0.807662 0.750249 Pb\n0.602542 0.307662 0.249751 Pb\n0.102542 0.192338 0.249751 Pb\n0.397458 0.692338 0.750249 Pb\n0.912629 0.567960 0.743843 Pb\n0.587371 0.067960 0.256157 Pb\n0.087371 0.432040 0.256157 Pb\n0.412629 0.932040 0.743843 Pb\n0.412640 0.437420 0.749857 Pb\n0.087360 0.937420 0.250143 Pb\n0.587360 0.562580 0.250143 Pb\n0.912640 0.062580 0.749857 Pb\n0.474345 0.200276 0.600264 S\n0.025655 0.700276 0.399736 S\n0.525655 0.799724 0.399736 S\n0.974345 0.299724 0.600264 S\n0.208125 0.699103 0.983787 S\n0.291875 0.199103 0.016213 S\n0.791875 0.300897 0.016213 S\n0.708125 0.800897 0.983787 S\n0.492682 0.669599 0.893646 S\n0.007318 0.169599 0.106354 S\n0.507318 0.330401 0.106354 S\n0.992682 0.830401 0.893646 S\n0.281574 0.293145 0.845779 S\n0.218426 0.793145 0.154221 S\n0.718426 0.706855 0.154221 S\n0.781574 0.206855 0.845779 S\n0.510061 0.148758 0.905934 S\n0.989939 0.648758 0.094066 S\n0.489939 0.851242 0.094066 S\n0.010061 0.351242 0.905934 S\n0.734369 0.335443 0.504076 S\n0.765631 0.835443 0.495924 S\n0.265631 0.664557 0.495924 S\n0.234369 0.164557 0.504076 S\n0.280398 0.813235 0.828884 S\n0.219602 0.313235 0.171116 S\n0.719602 0.186765 0.171116 S\n0.780398 0.686765 0.828884 S\n0.065520 0.190045 0.765875 S\n0.434480 0.690045 0.234125 S\n0.934480 0.809955 0.234125 S\n0.565520 0.309955 0.765875 S\n0.996196 0.788445 0.591970 S\n0.503804 0.288445 0.408030 S\n0.003804 0.211555 0.408030 S\n0.496196 0.711555 0.591970 S\n0.772629 0.687507 0.658437 S\n0.727371 0.187507 0.341563 S\n0.227371 0.312493 0.341563 S\n0.272629 0.812493 0.658437 S\n0.050933 0.694643 0.755474 S\n0.449067 0.194643 0.244526 S\n0.949067 0.305357 0.244526 S\n0.550933 0.805357 0.755474 S\n0.259698 0.321028 0.658788 S\n0.240302 0.821028 0.341212 S\n0.740302 0.678972 0.341212 S\n0.759698 0.178972 0.658788 S\n0.498692 0.462316 0.901990 S\n0.001308 0.962316 0.098010 S\n0.501308 0.537684 0.098010 S\n0.998692 0.037684 0.901990 S\n0.227003 0.909535 0.997241 S\n0.272997 0.409535 0.002759 S\n0.772997 0.090465 0.002759 S\n0.727003 0.590465 0.997241 S\n0.273235 0.540940 0.655838 S\n0.226765 0.040940 0.344162 S\n0.726765 0.459060 0.344162 S\n0.773235 0.959060 0.655838 S\n0.471107 0.942254 0.902417 S\n0.028893 0.442254 0.097583 S\n0.528893 0.057746 0.097583 S\n0.971107 0.557746 0.902417 S\n0.266492 0.076315 0.847814 S\n0.233508 0.576315 0.152186 S\n0.733508 0.923685 0.152186 S\n0.766492 0.423685 0.847814 S\n0.721445 0.543012 0.516619 S\n0.778555 0.043012 0.483381 S\n0.278555 0.456988 0.483381 S\n0.221445 0.956988 0.516619 S\n0.072777 0.444794 0.742552 S\n0.427223 0.944794 0.257448 S\n0.927223 0.555206 0.257448 S\n0.572777 0.055206 0.742552 S\n0.497282 0.411781 0.598911 S\n0.002718 0.911781 0.401089 S\n0.502718 0.588219 0.401089 S\n0.997282 0.088219 0.598911 S\n0.992677 0.582009 0.597127 S\n0.507323 0.082009 0.402873 S\n0.007323 0.417991 0.402873 S\n0.492677 0.917991 0.597127 S\n0.271882 0.552159 0.836711 S\n0.228118 0.052159 0.163289 S\n0.728118 0.447841 0.163289 S\n0.771882 0.947841 0.836711 S\n0.541904 0.563933 0.733412 S\n0.958096 0.063933 0.266588 S\n0.458096 0.436067 0.266588 S\n0.041904 0.936067 0.733412 S\n0.786266 0.428446 0.671489 S\n0.713734 0.928446 0.328511 S\n0.213734 0.571554 0.328511 S\n0.286266 0.071554 0.671489 S\n",
"nsites": 176,
"nelements": 4,
"elements": [
"Ag",
"Sb",
"Pb",
"S"
],
"chemical_system": "Ag-Pb-S-Sb",
"density": 5.201116939925757,
"density_atomic": 0.03947809797428976,
"volume": 4458.168175037728,
"volume_molar": 15.254384251039498,
"formula_full": "Ag16 Sb48 Pb16 S96",
"formula_reduced": "AgSb3PbS6",
"formula_anonymous": "ABC3D6",
"energy": -796.58884941,
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"updated_at": "2021-11-28T01:35:07.855000Z",
"spacegroup": 14
},
{
"id": "mp-1236920",
"created_at": "2022-09-04T14:45:17.934812Z",
"structure_string": "Ag2 Sb6 Pb2 S12\n1.0\n5.864253 0.000000 0.000000\n0.000000 7.586258 0.000000\n0.000000 4.200440 14.751674\nAg Sb Pb S\n2 6 2 12\ndirect\n0.820986 0.260164 0.710155 Ag\n0.179014 0.260164 0.210155 Ag\n0.265927 0.341967 0.969373 Sb\n0.314671 0.668430 0.532748 Sb\n0.712241 0.650422 0.749370 Sb\n0.287759 0.650422 0.249370 Sb\n0.685329 0.668430 0.032748 Sb\n0.734073 0.341967 0.469373 Sb\n0.324760 0.015095 0.775498 Pb\n0.675240 0.015095 0.275498 Pb\n0.823593 0.929641 0.795743 S\n0.176407 0.929641 0.295743 S\n0.068045 0.531062 0.700039 S\n0.931955 0.531062 0.200039 S\n0.466769 0.860228 0.111760 S\n0.470802 0.218425 0.382613 S\n0.529198 0.218425 0.882613 S\n0.533231 0.860228 0.611760 S\n0.328381 0.679578 0.925536 S\n0.671619 0.679578 0.425536 S\n0.543628 0.344989 0.097165 S\n0.456372 0.344989 0.597165 S\n",
"nsites": 22,
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"elements": [
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],
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"density": 4.416532852230934,
"density_atomic": 0.0335228603126795,
"volume": 656.2685819407493,
"volume_molar": 17.964280803694486,
"formula_full": "Ag2 Sb6 Pb2 S12",
"formula_reduced": "AgSb3PbS6",
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"energy": -97.29953093999998,
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"updated_at": "2021-11-28T01:36:59.019000Z",
"spacegroup": 7
},
{
"id": "mp-1199846",
"created_at": "2022-09-04T14:41:05.399887Z",
"structure_string": "Ag2 Sb6 I2 F48\n1.0\n9.145450 5.340018 0.000000\n-9.145450 5.340018 0.000000\n0.000000 0.517905 9.815344\nAg Sb I F\n2 6 2 48\ndirect\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.341981 0.174582 0.751506 Sb\n0.825418 0.658019 0.748494 Sb\n0.828585 0.171415 0.750000 Sb\n0.174582 0.341981 0.251506 Sb\n0.171415 0.828585 0.250000 Sb\n0.658019 0.825418 0.248494 Sb\n0.333409 0.666591 0.750000 I\n0.666591 0.333409 0.250000 I\n0.327606 0.318037 0.853216 F\n0.988777 0.673838 0.840303 F\n0.680425 0.008588 0.852884 F\n0.318037 0.327606 0.353216 F\n0.008588 0.680425 0.352884 F\n0.673838 0.988777 0.340303 F\n0.672394 0.681963 0.146784 F\n0.011223 0.326162 0.159697 F\n0.319575 0.991412 0.147116 F\n0.681963 0.672394 0.646784 F\n0.991412 0.319575 0.647116 F\n0.326162 0.011223 0.659697 F\n0.485521 0.311670 0.625372 F\n0.834875 0.527326 0.625850 F\n0.694045 0.174499 0.628365 F\n0.311670 0.485521 0.125372 F\n0.174499 0.694045 0.128365 F\n0.527326 0.834875 0.125850 F\n0.514479 0.688330 0.374628 F\n0.165125 0.472674 0.374150 F\n0.305955 0.825501 0.371635 F\n0.688330 0.514479 0.874628 F\n0.825501 0.305955 0.871635 F\n0.472674 0.165125 0.874150 F\n0.190754 0.524576 0.861354 F\n0.330444 0.803723 0.856126 F\n0.470443 0.662639 0.856162 F\n0.524576 0.190754 0.361354 F\n0.662639 0.470443 0.356162 F\n0.803723 0.330444 0.356126 F\n0.809246 0.475424 0.138646 F\n0.669556 0.196277 0.143874 F\n0.529557 0.337361 0.143838 F\n0.475424 0.809246 0.638646 F\n0.337361 0.529557 0.643838 F\n0.196277 0.669556 0.643874 F\n0.189339 0.166905 0.640898 F\n0.976394 0.821886 0.625477 F\n0.843061 0.027216 0.635078 F\n0.166905 0.189339 0.140898 F\n0.027216 0.843061 0.135078 F\n0.821886 0.976394 0.125477 F\n0.810661 0.833095 0.359102 F\n0.023606 0.178114 0.374523 F\n0.156939 0.972784 0.364922 F\n0.833095 0.810661 0.859102 F\n0.972784 0.156939 0.864922 F\n0.178114 0.023606 0.874523 F\n",
"nsites": 58,
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"elements": [
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"I",
"F"
],
"chemical_system": "Ag-F-I-Sb",
"density": 3.6581843738680955,
"density_atomic": 0.06049850910598431,
"volume": 958.7013111082242,
"volume_molar": 9.954196969465997,
"formula_full": "Ag2 Sb6 I2 F48",
"formula_reduced": "AgSb3IF24",
"formula_anonymous": "ABC3D24",
"energy": -256.55839506,
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"updated_at": "2021-11-28T01:34:57.950000Z",
"spacegroup": 15
},
{
"id": "mp-14653",
"created_at": "2022-09-04T14:42:04.302549Z",
"structure_string": "Ag1 Sb2 F12\n1.0\n-5.430271 0.000000 0.000000\n2.343906 5.092776 0.000000\n-0.231209 -2.305547 -8.732147\nAg Sb F\n1 2 12\ndirect\n0.500000 0.500000 0.500000 Ag\n0.269088 0.011548 0.764973 Sb\n0.730912 0.988452 0.235027 Sb\n0.772751 0.772911 0.372530 F\n0.227249 0.227089 0.627470 F\n0.352633 0.773417 0.228632 F\n0.306282 0.769067 0.865730 F\n0.693718 0.230933 0.134270 F\n0.886317 0.795552 0.710440 F\n0.113683 0.204448 0.289560 F\n0.306162 0.771987 0.567575 F\n0.693838 0.228013 0.432425 F\n0.208232 0.240320 0.937031 F\n0.791768 0.759680 0.062969 F\n0.647367 0.226583 0.771368 F\n",
"nsites": 15,
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"elements": [
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"F"
],
"chemical_system": "Ag-F-Sb",
"density": 3.983889312503917,
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