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{
"id": "mp-1190916",
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"structure_string": "Ag2 Te3 Mo3 O16\n1.0\n5.775109 5.253162 0.000000\n-5.775109 5.253162 0.000000\n0.000000 4.611362 5.973648\nAg Te Mo O\n2 3 3 16\ndirect\n0.096037 0.903963 0.500000 Ag\n0.532189 0.467811 0.000000 Ag\n0.593987 0.406013 0.500000 Te\n0.977463 0.469843 0.998535 Te\n0.530157 0.022537 0.001465 Te\n0.615577 0.937577 0.466966 Mo\n0.062423 0.384423 0.533034 Mo\n0.999498 0.000502 0.000000 Mo\n0.865120 0.457620 0.437878 O\n0.542380 0.134880 0.562122 O\n0.718230 0.489998 0.162083 O\n0.510002 0.281770 0.837917 O\n0.938534 0.521931 0.753546 O\n0.478069 0.061466 0.246454 O\n0.878881 0.183344 0.159330 O\n0.816656 0.121119 0.840670 O\n0.749684 0.865800 0.609153 O\n0.134200 0.250316 0.390847 O\n0.394357 0.738803 0.650266 O\n0.261197 0.605643 0.349734 O\n0.737294 0.832648 0.259664 O\n0.167352 0.262706 0.740336 O\n0.149637 0.961557 0.127306 O\n0.038443 0.850363 0.872694 O\n",
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{
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"structure_string": "Ag2 Te1\n1.0\n-2.461888 2.461888 3.186994\n2.461888 -2.461888 3.186994\n2.461888 2.461888 -3.186994\nAg Te\n2 1\ndirect\n0.750000 0.250000 0.500000 Ag\n0.250000 0.750000 0.500000 Ag\n0.000000 0.000000 0.000000 Te\n",
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"spacegroup": 139
},
{
"id": "mp-1183248",
"created_at": "2022-09-04T14:42:52.476976Z",
"structure_string": "Ag2 Sn6\n1.0\n3.386727 -5.865984 0.000000\n3.386727 5.865984 0.000000\n0.000000 0.000000 5.155625\nAg Sn\n2 6\ndirect\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n0.169518 0.339036 0.250000 Sn\n0.660964 0.830482 0.250000 Sn\n0.169518 0.830482 0.250000 Sn\n0.830482 0.660964 0.750000 Sn\n0.339036 0.169518 0.750000 Sn\n0.830482 0.169518 0.750000 Sn\n",
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"formula_full": "Ag2 Sn6",
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"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:35:54.206000Z",
"spacegroup": 194
},
{
"id": "mp-755834",
"created_at": "2022-09-04T14:44:14.190100Z",
"structure_string": "Ag2 Sn2 O6\n1.0\n3.780078 -5.416733 0.000000\n3.780078 5.416733 0.000000\n0.000000 0.000000 3.286703\nAg Sn O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.672534 0.932541 0.000000 O\n0.932541 0.672534 0.000000 O\n0.326566 0.673434 0.500000 O\n0.673434 0.326566 0.500000 O\n0.067459 0.327466 0.000000 O\n0.327466 0.067459 0.000000 O\n",
"nsites": 10,
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"volume": 134.59491336386625,
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"formula_full": "Ag2 Sn2 O6",
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"updated_at": "2021-11-28T01:36:28.910000Z",
"spacegroup": 65
},
{
"id": "mp-1245446",
"created_at": "2022-09-04T14:42:47.255736Z",
"structure_string": "Ag2 Sn2 N2\n1.0\n3.307725 0.000000 0.000000\n-1.653862 2.864563 0.000000\n0.000000 0.000000 10.762535\nAg Sn N\n2 2 2\ndirect\n0.666721 0.333441 0.773246 Ag\n0.333279 0.666559 0.273246 Ag\n0.999962 0.999925 0.488204 Sn\n0.000038 0.000075 0.988204 Sn\n0.333306 0.666611 0.583189 N\n0.666694 0.333389 0.083189 N\n",
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"formula_full": "Ag2 Sn2 N2",
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"updated_at": "2021-11-28T01:35:52.980000Z",
"spacegroup": 186
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{
"id": "mp-1229140",
"created_at": "2022-09-04T14:40:57.980640Z",
"structure_string": "Ag2 Sn1 Bi1 Se4\n1.0\n13.673641 -2.061282 0.000000\n13.673641 2.061282 0.000000\n13.362906 0.000000 3.556697\nAg Sn Bi Se\n2 1 1 4\ndirect\n0.506559 0.506559 0.506559 Ag\n0.241741 0.241741 0.241741 Ag\n0.756715 0.756715 0.756715 Sn\n0.996102 0.996102 0.996102 Bi\n0.874672 0.874672 0.874672 Se\n0.620669 0.620669 0.620669 Se\n0.374517 0.374517 0.374517 Se\n0.129026 0.129026 0.129026 Se\n",
"nsites": 8,
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],
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"density": 7.1167003642172535,
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"volume": 200.4926464526378,
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"formula_full": "Ag2 Sn1 Bi1 Se4",
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"formula_anonymous": "ABC2D4",
"energy": -31.18890567,
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"updated_at": "2021-11-28T01:35:09.406000Z",
"spacegroup": 160
},
{
"id": "mp-1229127",
"created_at": "2022-09-04T14:46:31.134332Z",
"structure_string": "Ag2 Sn1 Bi1 S4\n1.0\n-2.786367 2.786367 5.661030\n2.786367 -2.786367 5.661030\n2.786367 2.786367 -5.661030\nAg Sn Bi S\n2 1 1 4\ndirect\n0.500000 0.500000 0.000000 Ag\n0.250000 0.750000 0.500000 Ag\n0.000000 0.000000 0.000000 Sn\n0.750000 0.250000 0.500000 Bi\n0.498933 0.998933 0.500000 S\n0.246519 0.246519 0.000000 S\n0.001067 0.501067 0.500000 S\n0.753481 0.753481 0.000000 S\n",
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],
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"volume": 175.80534859388075,
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"formula_full": "Ag2 Sn1 Bi1 S4",
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"formula_anonymous": "ABC2D4",
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"updated_at": "2021-11-28T01:37:29.461000Z",
"spacegroup": 119
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{
"id": "mp-1101086",
"created_at": "2022-09-04T14:39:47.681377Z",
"structure_string": "Ag2 Se10\n1.0\n9.652515 5.591606 0.000000\n-9.652515 5.591606 0.000000\n0.000000 3.578689 5.911053\nAg Se\n2 10\ndirect\n0.366776 0.334194 0.704559 Ag\n0.334194 0.366776 0.204559 Ag\n0.141615 0.280036 0.029480 Se\n0.280036 0.141615 0.529480 Se\n0.144603 0.496836 0.868287 Se\n0.496836 0.144603 0.368287 Se\n0.712508 0.406803 0.158293 Se\n0.406803 0.712508 0.658293 Se\n0.652514 0.518041 0.883987 Se\n0.518041 0.652514 0.383987 Se\n0.394618 0.631656 0.155496 Se\n0.631656 0.394618 0.655496 Se\n",
"nsites": 12,
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{
"id": "mp-1229100",
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{
"id": "mp-1229291",
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"structure_string": "Ag2 Sb6 Pb2 S12\n1.0\n0.000000 0.000000 5.108727\n9.353516 6.027826 0.000000\n-10.146265 7.021851 0.000000\nAg Sb Pb S\n2 6 2 12\ndirect\n0.337693 0.988798 0.271267 Ag\n0.662307 0.488798 0.771267 Ag\n0.748577 0.705073 0.096770 Sb\n0.805221 0.810532 0.409769 Sb\n0.386254 0.490864 0.213442 Sb\n0.613746 0.990864 0.713442 Sb\n0.194779 0.310532 0.909769 Sb\n0.251423 0.205073 0.596770 Sb\n0.836837 0.205893 0.229566 Pb\n0.163163 0.705893 0.729566 Pb\n0.322094 0.331388 0.301007 S\n0.677906 0.831388 0.801007 S\n0.135397 0.743470 0.242849 S\n0.864603 0.243470 0.742849 S\n0.311068 0.085142 0.884740 S\n0.336139 0.428898 0.616507 S\n0.663861 0.928898 0.116507 S\n0.688932 0.585142 0.384740 S\n0.884547 0.348945 0.068582 S\n0.115453 0.848945 0.568582 S\n0.997895 0.610997 0.915501 S\n0.002105 0.110997 0.415501 S\n",
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{
"id": "mp-1229157",
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"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",
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{
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"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",
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"band_gap": 1.5029,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035657,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.900000Z",
"spacegroup": 7
}
]
}