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{
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"results": [
{
"id": "mp-1111732",
"created_at": "2022-09-04T14:41:03.890755Z",
"structure_string": "Rb2 Eu1 Ag1 Cl6\n1.0\n0.000000 5.406270 5.406270\n5.406270 0.000000 5.406270\n5.406270 5.406270 0.000000\nRb Eu Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Ag\n0.747778 0.252222 0.252222 Cl\n0.252222 0.252222 0.747778 Cl\n0.252222 0.747778 0.747778 Cl\n0.252222 0.747778 0.252222 Cl\n0.747778 0.252222 0.747778 Cl\n0.747778 0.747778 0.252222 Cl\n",
"nsites": 10,
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"elements": [
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],
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"volume": 316.0262734309438,
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"formula_full": "Rb2 Eu1 Ag1 Cl6",
"formula_reduced": "Rb2EuAgCl6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:35:10.386000Z",
"spacegroup": 225
},
{
"id": "mp-553919",
"created_at": "2022-09-04T14:41:25.861424Z",
"structure_string": "Ag6 Mo2 Cl1 O7 F3\n1.0\n3.798269 -6.578795 0.000000\n3.798269 6.578795 0.000000\n0.000000 0.000000 6.019885\nAg Mo Cl O F\n6 2 1 7 3\ndirect\n0.157162 0.842838 0.189034 Ag\n0.828398 0.171602 0.729923 Ag\n0.828398 0.656796 0.729923 Ag\n0.157162 0.314323 0.189034 Ag\n0.685677 0.842838 0.189034 Ag\n0.343204 0.171602 0.729923 Ag\n0.666667 0.333333 0.238392 Mo\n0.333333 0.666667 0.685252 Mo\n0.000000 0.000000 0.492365 Cl\n0.210143 0.789857 0.817641 O\n0.793745 0.206255 0.124078 O\n0.579714 0.789857 0.817641 O\n0.666667 0.333333 0.543366 O\n0.412510 0.206255 0.124078 O\n0.210143 0.420286 0.817641 O\n0.793745 0.587490 0.124078 O\n0.102493 0.551246 0.439716 F\n0.448754 0.551246 0.439716 F\n0.448754 0.897507 0.439716 F\n",
"nsites": 19,
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"elements": [
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],
"chemical_system": "Ag-Cl-F-Mo-O",
"density": 5.759769569276189,
"density_atomic": 0.06315435990924873,
"volume": 300.85017134687985,
"volume_molar": 9.535589892215944,
"formula_full": "Ag6 Mo2 Cl1 O7 F3",
"formula_reduced": "Ag6Mo2ClO7F3",
"formula_anonymous": "AB2C3D6E7",
"energy": -106.79218694,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.877000Z",
"spacegroup": 156
},
{
"id": "mp-1229269",
"created_at": "2022-09-04T14:45:27.294371Z",
"structure_string": "Ag4 Pb8 Cl12 O4 F4\n1.0\n-5.057131 5.057131 7.207046\n5.057131 -5.057131 7.207046\n5.057131 5.057131 -7.207046\nAg Pb Cl O F\n4 8 12 4 4\ndirect\n0.251474 0.502241 0.250767 Ag\n0.251474 0.000707 0.749233 Ag\n0.750707 0.501474 0.249233 Ag\n0.252241 0.501474 0.750767 Ag\n0.538789 0.226575 0.687786 Pb\n0.538789 0.851002 0.312214 Pb\n0.913095 0.221090 0.692005 Pb\n0.529085 0.221090 0.307995 Pb\n0.971090 0.779085 0.807995 Pb\n0.971090 0.163095 0.192005 Pb\n0.601002 0.788789 0.812214 Pb\n0.976575 0.788789 0.187786 Pb\n0.932604 0.432604 0.500000 Cl\n0.319600 0.819600 0.500000 Cl\n0.325718 0.826994 0.903186 Cl\n0.923808 0.422532 0.096814 Cl\n0.325718 0.422532 0.498723 Cl\n0.923808 0.826994 0.501277 Cl\n0.569600 0.569600 0.000000 Cl\n0.182604 0.182604 0.000000 Cl\n0.172532 0.173808 0.596814 Cl\n0.576994 0.575718 0.403186 Cl\n0.172532 0.575718 0.998723 Cl\n0.576994 0.173808 0.001277 Cl\n0.693585 0.075664 0.382079 O\n0.693585 0.311506 0.617921 O\n0.061506 0.943585 0.117921 O\n0.825664 0.943585 0.882079 O\n0.399736 0.044434 0.355302 F\n0.689132 0.044434 0.644698 F\n0.794434 0.939132 0.144698 F\n0.794434 0.649736 0.855302 F\n",
"nsites": 32,
"nelements": 5,
"elements": [
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"Pb",
"Cl",
"O",
"F"
],
"chemical_system": "Ag-Cl-F-O-Pb",
"density": 5.9786913892742195,
"density_atomic": 0.04340345339086126,
"volume": 737.2685235856763,
"volume_molar": 13.87479633421976,
"formula_full": "Ag4 Pb8 Cl12 O4 F4",
"formula_reduced": "AgPb2Cl3OF",
"formula_anonymous": "ABCD2E3",
"energy": -134.57090335,
"energy_per_atom": -4.2053407296875,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:05.074000Z",
"spacegroup": 109
},
{
"id": "mp-1112469",
"created_at": "2022-09-04T14:42:44.981468Z",
"structure_string": "K2 Ga1 Ag1 Cl6\n1.0\n0.000000 5.112531 5.112531\n5.112531 0.000000 5.112531\n5.112531 5.112531 0.000000\nK Ga Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.764783 0.235217 0.235217 Cl\n0.235217 0.235217 0.764783 Cl\n0.235217 0.764783 0.764783 Cl\n0.235217 0.764783 0.235217 Cl\n0.764783 0.235217 0.764783 Cl\n0.764783 0.764783 0.235217 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ga",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Ga-K",
"density": 2.9108927899070722,
"density_atomic": 0.037416412185606714,
"volume": 267.2623967897912,
"volume_molar": 16.094917733230943,
"formula_full": "K2 Ga1 Ag1 Cl6",
"formula_reduced": "K2GaAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -35.78767464,
"energy_per_atom": -3.578767464,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -32.10367464,
"band_gap": 1.1817,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0010648,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.881000Z",
"spacegroup": 225
},
{
"id": "mp-1111121",
"created_at": "2022-09-04T14:41:34.281999Z",
"structure_string": "Na2 Ga1 Ag1 Cl6\n1.0\n0.000000 5.058345 5.058345\n5.058345 0.000000 5.058345\n5.058345 5.058345 0.000000\nNa Ga Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.763685 0.236315 0.236315 Cl\n0.236315 0.236315 0.763685 Cl\n0.236315 0.763685 0.763685 Cl\n0.236315 0.763685 0.236315 Cl\n0.763685 0.236315 0.763685 Cl\n0.763685 0.763685 0.236315 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Ga",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Ga-Na",
"density": 2.7987735754908676,
"density_atomic": 0.038631775113950544,
"volume": 258.85427139973285,
"volume_molar": 15.588568586964335,
"formula_full": "Na2 Ga1 Ag1 Cl6",
"formula_reduced": "Na2GaAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -34.38501177,
"energy_per_atom": -3.438501177,
"energy_above_hull": null,
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"energy_uncorrected": -30.70101177,
"band_gap": 1.1607,
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"total_magnetization": 4.49e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.098000Z",
"spacegroup": 225
},
{
"id": "mp-1111468",
"created_at": "2022-09-04T14:46:03.333996Z",
"structure_string": "Rb2 Ga1 Ag1 Cl6\n1.0\n0.000000 5.150257 5.150257\n5.150257 0.000000 5.150257\n5.150257 5.150257 0.000000\nRb Ga Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.765539 0.234461 0.234461 Cl\n0.234461 0.234461 0.765539 Cl\n0.234461 0.765539 0.765539 Cl\n0.234461 0.765539 0.234461 Cl\n0.765539 0.234461 0.765539 Cl\n0.765539 0.765539 0.234461 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ga",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Ga-Rb",
"density": 3.4110236366816262,
"density_atomic": 0.03660018673292405,
"volume": 273.22264973594804,
"volume_molar": 16.45385255530056,
"formula_full": "Rb2 Ga1 Ag1 Cl6",
"formula_reduced": "Rb2GaAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -35.7850743,
"energy_per_atom": -3.5785074299999997,
"energy_above_hull": null,
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"band_gap": 1.213,
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"total_magnetization": 4.62e-05,
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"updated_at": "2021-11-28T01:37:19.635000Z",
"spacegroup": 225
},
{
"id": "mp-1225073",
"created_at": "2022-09-04T14:47:45.011592Z",
"structure_string": "Ga6 Ag1 Sb7 Te8 Cl24\n1.0\n11.976259 0.000000 0.000000\n-2.332587 12.232931 0.000000\n-4.667769 -5.794593 10.289377\nGa Ag Sb Te Cl\n6 1 7 8 24\ndirect\n0.970793 0.791727 0.210882 Ga\n0.029811 0.207797 0.786769 Ga\n0.621704 0.335936 0.759394 Ga\n0.379975 0.666195 0.240448 Ga\n0.080624 0.285776 0.387562 Ga\n0.919549 0.714086 0.612650 Ga\n0.020434 0.475584 0.026296 Ag\n0.647102 0.729041 0.908310 Sb\n0.354330 0.270409 0.092439 Sb\n0.500024 0.999771 0.999923 Sb\n0.645223 0.960243 0.745036 Sb\n0.354437 0.039482 0.255151 Sb\n0.293896 0.698646 0.636663 Sb\n0.706155 0.301734 0.363967 Sb\n0.398091 0.966205 0.724778 Te\n0.601772 0.033895 0.275167 Te\n0.536409 0.690418 0.638908 Te\n0.463779 0.309592 0.361512 Te\n0.757037 0.995863 0.007195 Te\n0.242708 0.003833 0.992860 Te\n0.607720 0.285132 0.111584 Te\n0.392636 0.715023 0.888728 Te\n0.121929 0.163098 0.239117 Cl\n0.878058 0.837174 0.760859 Cl\n0.271367 0.414706 0.563362 Cl\n0.728623 0.585300 0.436662 Cl\n0.967374 0.793644 0.036979 Cl\n0.032167 0.209339 0.963390 Cl\n0.955781 0.176535 0.430188 Cl\n0.044100 0.823512 0.569909 Cl\n0.523148 0.425898 0.859905 Cl\n0.477114 0.573653 0.140393 Cl\n0.942520 0.597464 0.181131 Cl\n0.056261 0.403989 0.827134 Cl\n0.150069 0.930042 0.385921 Cl\n0.849743 0.069358 0.614004 Cl\n0.751546 0.276422 0.884408 Cl\n0.247806 0.722880 0.115889 Cl\n0.730541 0.465444 0.721646 Cl\n0.266289 0.534085 0.274602 Cl\n0.978839 0.392902 0.314677 Cl\n0.021365 0.606977 0.685179 Cl\n0.485127 0.159117 0.576099 Cl\n0.515376 0.840930 0.425019 Cl\n0.791525 0.818981 0.209474 Cl\n0.208621 0.180065 0.790330 Cl\n",
"nsites": 46,
"nelements": 5,
"elements": [
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],
"chemical_system": "Ag-Cl-Ga-Sb-Te",
"density": 3.5802896029298137,
"density_atomic": 0.030515257994466555,
"volume": 1507.442604887737,
"volume_molar": 19.73485120490221,
"formula_full": "Ga6 Ag1 Sb7 Te8 Cl24",
"formula_reduced": "Ga6AgSb7(TeCl3)8",
"formula_anonymous": "AB6C7D8E24",
"energy": -173.31135845,
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"updated_at": "2021-11-28T01:38:22.265000Z",
"spacegroup": 1
},
{
"id": "mp-1111486",
"created_at": "2022-09-04T14:41:35.705349Z",
"structure_string": "Rb2 Gd1 Ag1 Cl6\n1.0\n0.000000 5.410341 5.410341\n5.410341 0.000000 5.410341\n5.410341 5.410341 0.000000\nRb Gd Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Ag\n0.753740 0.246260 0.246260 Cl\n0.246260 0.246260 0.753740 Cl\n0.246260 0.753740 0.753740 Cl\n0.246260 0.753740 0.246260 Cl\n0.753740 0.246260 0.753740 Cl\n0.753740 0.753740 0.246260 Cl\n",
"nsites": 10,
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"elements": [
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"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Gd-Rb",
"density": 3.401239003793903,
"density_atomic": 0.031571563447004715,
"volume": 316.7407283071605,
"volume_molar": 19.07457250290637,
"formula_full": "Rb2 Gd1 Ag1 Cl6",
"formula_reduced": "Rb2GdAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -51.69890319,
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"updated_at": "2021-11-28T01:35:25.641000Z",
"spacegroup": 225
},
{
"id": "mp-1214971",
"created_at": "2022-09-04T14:45:38.268435Z",
"structure_string": "Ag24 Ge4 S16 Cl8\n1.0\n6.485246 0.000000 0.000000\n0.000000 7.710243 0.000000\n0.000000 0.000000 23.249289\nAg Ge S Cl\n24 4 16 8\ndirect\n0.440474 0.250000 0.645062 Ag\n0.559526 0.750000 0.354938 Ag\n0.059526 0.750000 0.145062 Ag\n0.940474 0.250000 0.854938 Ag\n0.098134 0.038600 0.280953 Ag\n0.901866 0.961400 0.719047 Ag\n0.401866 0.961400 0.780953 Ag\n0.901866 0.538600 0.719047 Ag\n0.598134 0.038600 0.219047 Ag\n0.098134 0.461400 0.280953 Ag\n0.598134 0.461400 0.219047 Ag\n0.401866 0.538600 0.780953 Ag\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.008702 0.058409 0.429714 Ag\n0.991298 0.941591 0.570286 Ag\n0.491298 0.941591 0.929714 Ag\n0.991298 0.558409 0.570286 Ag\n0.508702 0.058409 0.070286 Ag\n0.008702 0.441591 0.429714 Ag\n0.508702 0.441591 0.070286 Ag\n0.491298 0.558409 0.929714 Ag\n0.011937 0.250000 0.130955 Ge\n0.988063 0.750000 0.869045 Ge\n0.488063 0.750000 0.630955 Ge\n0.511937 0.250000 0.369045 Ge\n0.321903 0.006341 0.372649 S\n0.678097 0.993659 0.627351 S\n0.178097 0.993659 0.872649 S\n0.678097 0.506341 0.627351 S\n0.821903 0.006341 0.127351 S\n0.321903 0.493659 0.372649 S\n0.821903 0.493659 0.127351 S\n0.178097 0.506341 0.872649 S\n0.227371 0.250000 0.205606 S\n0.772629 0.750000 0.794394 S\n0.272629 0.750000 0.705606 S\n0.727371 0.250000 0.294394 S\n0.195748 0.250000 0.046342 S\n0.804252 0.750000 0.953658 S\n0.304252 0.750000 0.546342 S\n0.695748 0.250000 0.453658 S\n0.168624 0.250000 0.543089 Cl\n0.831376 0.750000 0.456911 Cl\n0.331376 0.750000 0.043089 Cl\n0.668624 0.250000 0.956911 Cl\n0.125334 0.250000 0.711201 Cl\n0.874666 0.750000 0.288799 Cl\n0.374666 0.750000 0.211201 Cl\n0.625334 0.250000 0.788799 Cl\n",
"nsites": 52,
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"elements": [
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"Cl"
],
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"volume": 1162.530072856738,
"volume_molar": 13.463307185531406,
"formula_full": "Ag24 Ge4 S16 Cl8",
"formula_reduced": "Ag6Ge(S2Cl)2",
"formula_anonymous": "AB2C4D6",
"energy": -193.96101511,
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"updated_at": "2021-11-28T01:37:17.357000Z",
"spacegroup": 62
},
{
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{
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]
}