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{
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{
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{
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"structure_string": "Ba1 Cu5 Ag1 P2\n1.0\n4.111769 0.000000 0.000000\n0.000000 4.111769 0.000000\n0.000000 0.000000 9.206927\nBa Cu Ag P\n1 5 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.188447 Cu\n0.000000 0.500000 0.811553 Cu\n0.500000 0.000000 0.188447 Cu\n0.500000 0.000000 0.811553 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.298392 P\n0.000000 0.000000 0.701608 P\n",
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{
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{
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"structure_string": "Ba1 Y1 Cu1 Ag1 O5\n1.0\n3.982349 0.000000 0.000000\n0.000000 3.982349 0.000000\n0.000000 0.000000 8.012438\nBa Y Cu Ag O\n1 1 1 1 5\ndirect\n0.500000 0.500000 0.998636 Ba\n0.500000 0.500000 0.456580 Y\n0.000000 0.000000 0.238210 Cu\n0.000000 0.000000 0.695839 Ag\n0.500000 0.000000 0.626540 O\n0.000000 0.500000 0.626540 O\n0.500000 0.000000 0.279654 O\n0.000000 0.500000 0.279654 O\n0.000000 0.000000 0.986300 O\n",
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{
"id": "mp-1192702",
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"structure_string": "Ba2 V4 Cu2 Ag4 O16\n1.0\n5.478991 0.000000 0.000000\n-2.662789 5.046517 0.000000\n-0.123066 -1.493687 14.449349\nBa V Cu Ag O\n2 4 2 4 16\ndirect\n0.467241 0.956165 0.748700 Ba\n0.532759 0.043835 0.251300 Ba\n0.840856 0.682248 0.873147 V\n0.159144 0.317752 0.126853 V\n0.142532 0.283734 0.625085 V\n0.857468 0.716266 0.374915 V\n0.500000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.170147 0.331615 0.910330 Ag\n0.829853 0.668385 0.089670 Ag\n0.810501 0.623679 0.588104 Ag\n0.189499 0.376321 0.411896 Ag\n0.578457 0.762192 0.913219 O\n0.421543 0.237808 0.086781 O\n0.176609 0.921458 0.919349 O\n0.823391 0.078542 0.080651 O\n0.234135 0.033669 0.584779 O\n0.765865 0.966331 0.415221 O\n0.784542 0.180900 0.600612 O\n0.215458 0.819100 0.399388 O\n0.854597 0.705067 0.756386 O\n0.145403 0.294933 0.243614 O\n0.201095 0.336610 0.742743 O\n0.798905 0.663390 0.257257 O\n0.648404 0.416829 0.419031 O\n0.351596 0.583171 0.580969 O\n0.760388 0.360310 0.896058 O\n0.239612 0.639690 0.103942 O\n",
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{
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"structure_string": "Ba2 Cu4 Ag4 O8\n1.0\n6.526884 0.000000 0.000000\n0.000000 6.526884 0.000000\n0.000000 0.000000 6.927858\nBa Cu Ag O\n2 4 4 8\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.500000 0.222410 Cu\n0.500000 0.000000 0.777590 Cu\n0.000000 0.500000 0.777590 Cu\n0.500000 0.000000 0.222410 Cu\n0.750000 0.750000 0.500000 Ag\n0.250000 0.250000 0.500000 Ag\n0.750000 0.250000 0.500000 Ag\n0.250000 0.750000 0.500000 Ag\n0.194046 0.694046 0.211252 O\n0.805954 0.305954 0.211252 O\n0.694046 0.194046 0.788748 O\n0.305954 0.805954 0.788748 O\n0.194046 0.305954 0.788748 O\n0.805954 0.694046 0.788748 O\n0.694046 0.805954 0.211252 O\n0.305954 0.194046 0.211252 O\n",
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{
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{
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"formula_full": "Ba2 Co1 Ag2 Se2 O2",
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},
{
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"created_at": "2022-09-04T14:45:07.496850Z",
"structure_string": "Ba12 Cd2 Ag4 Sn8 S32\n1.0\n-7.483853 7.483853 7.462259\n7.483853 -7.483853 7.462259\n7.483853 7.483853 -7.462259\nBa Cd Ag Sn S\n12 2 4 8 32\ndirect\n0.357506 0.357506 0.000000 Ba\n0.625000 0.892946 0.767946 Ba\n0.107054 0.875000 0.732054 Ba\n0.625000 0.605931 0.480931 Ba\n0.142946 0.375000 0.267946 Ba\n0.642494 0.642494 0.000000 Ba\n0.394069 0.875000 0.019069 Ba\n0.125000 0.857054 0.232054 Ba\n0.892494 0.392494 0.500000 Ba\n0.855931 0.375000 0.980931 Ba\n0.607506 0.107506 0.500000 Ba\n0.125000 0.144069 0.519069 Ba\n0.250000 0.750000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.625000 0.250051 0.125051 Ag\n0.500051 0.375000 0.625051 Ag\n0.125000 0.499949 0.874949 Ag\n0.749949 0.875000 0.374949 Ag\n0.420785 0.127150 0.753544 Sn\n0.917241 0.123606 0.746456 Sn\n0.872850 0.626394 0.293635 Sn\n0.332759 0.579215 0.706365 Sn\n0.829215 0.082759 0.206365 Sn\n0.876394 0.622850 0.793635 Sn\n0.377150 0.170785 0.253544 Sn\n0.373606 0.667241 0.246456 Sn\n0.602009 0.123396 0.748971 S\n0.852176 0.276838 0.207610 S\n0.919499 0.142173 0.943698 S\n0.683670 0.450363 0.099256 S\n0.103037 0.124424 0.751029 S\n0.051525 0.607827 0.277326 S\n0.723162 0.930772 0.575338 S\n0.392173 0.669499 0.443698 S\n0.397824 0.105434 0.924662 S\n0.024199 0.080501 0.222674 S\n0.857827 0.801525 0.777326 S\n0.198475 0.975801 0.056302 S\n0.526838 0.602176 0.707610 S\n0.146963 0.397991 0.521387 S\n0.876604 0.625576 0.478613 S\n0.373396 0.352009 0.248971 S\n0.330501 0.774199 0.722674 S\n0.069228 0.644566 0.792390 S\n0.875576 0.626604 0.978613 S\n0.647991 0.896963 0.021387 S\n0.700363 0.433670 0.599256 S\n0.415586 0.316330 0.766693 S\n0.355434 0.147824 0.424662 S\n0.566330 0.165586 0.266693 S\n0.351106 0.584414 0.900744 S\n0.898894 0.299637 0.733307 S\n0.549637 0.648894 0.233307 S\n0.180772 0.473162 0.075338 S\n0.225801 0.948475 0.556302 S\n0.834414 0.101106 0.400744 S\n0.374424 0.853037 0.251029 S\n0.894566 0.819228 0.292390 S\n",
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"elements": [
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],
"chemical_system": "Ag-Ba-Cd-S-Sn",
"density": 4.251184060983624,
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"volume_molar": 17.35816112569339,
"formula_full": "Ba12 Cd2 Ag4 Sn8 S32",
"formula_reduced": "Ba6CdAg2(SnS4)4",
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"energy_uncorrected": -267.49705372,
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"total_magnetization": 0.0008395,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.562000Z",
"spacegroup": 122
},
{
"id": "mp-1093931",
"created_at": "2022-09-04T14:41:00.215002Z",
"structure_string": "Ba2 Cd1 Ag1\n1.0\n-6.961103 7.128764 9.828739\n6.961103 -7.128764 9.828739\n6.961103 7.128764 -9.828739\nBa Cd Ag\n2 1 1\ndirect\n0.766302 0.000000 0.766302 Ba\n0.233698 0.000000 0.233698 Ba\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
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"elements": [
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"Ag"
],
"chemical_system": "Ag-Ba-Cd",
"density": 0.4212555088935082,
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"volume": 1950.9677537893353,
"volume_molar": 293.72506078851,
"formula_full": "Ba2 Cd1 Ag1",
"formula_reduced": "Ba2CdAg",
"formula_anonymous": "ABC2",
"energy": -3.34931346,
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"energy_uncorrected": -3.34931346,
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"updated_at": "2021-11-28T01:35:11.348000Z",
"spacegroup": 71
}
]
}