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{
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{
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{
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{
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"structure_string": "Ni4 Ag6 O8\n1.0\n1.504977 -2.606697 0.000000\n1.504977 2.606697 0.000000\n0.000000 0.000000 28.042553\nNi Ag O\n4 6 8\ndirect\n0.666667 0.333333 0.140913 Ni\n0.666667 0.333333 0.359087 Ni\n0.333333 0.666667 0.859087 Ni\n0.333333 0.666667 0.640913 Ni\n0.666667 0.333333 0.959297 Ag\n0.333333 0.666667 0.040703 Ag\n0.333333 0.666667 0.459297 Ag\n0.666667 0.333333 0.750000 Ag\n0.666667 0.333333 0.540703 Ag\n0.333333 0.666667 0.250000 Ag\n0.666667 0.333333 0.823410 O\n0.000000 0.000000 0.101873 O\n0.000000 0.000000 0.601873 O\n0.000000 0.000000 0.898127 O\n0.000000 0.000000 0.398127 O\n0.333333 0.666667 0.323410 O\n0.666667 0.333333 0.676590 O\n0.333333 0.666667 0.176590 O\n",
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{
"id": "mp-1185342",
"created_at": "2022-09-04T14:45:26.558851Z",
"structure_string": "Li2 Ag6\n1.0\n2.894192 -5.012888 0.000000\n2.894192 5.012888 0.000000\n0.000000 0.000000 4.766370\nLi Ag\n2 6\ndirect\n0.666667 0.333333 0.250000 Li\n0.333333 0.666667 0.750000 Li\n0.831720 0.168280 0.750000 Ag\n0.336561 0.168280 0.750000 Ag\n0.831720 0.663439 0.750000 Ag\n0.168280 0.831720 0.250000 Ag\n0.663439 0.831720 0.250000 Ag\n0.168280 0.336561 0.250000 Ag\n",
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{
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{
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"structure_string": "Ba2 Cu1 W1 O6\n1.0\n-2.806543 2.806543 4.501378\n2.806543 -2.806543 4.501378\n2.806543 2.806543 -4.501378\nBa Cu W O\n2 1 1 6\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 W\n0.758023 0.736539 0.494561 O\n0.736539 0.241977 0.978516 O\n0.263461 0.758023 0.021484 O\n0.241977 0.263461 0.505439 O\n0.283531 0.283531 0.000000 O\n0.716469 0.716469 0.000000 O\n",
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{
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"structure_string": "Li3 Fe1 Cu4 O8\n1.0\n2.964113 5.155581 0.000000\n-2.964113 5.155581 0.000000\n0.000000 3.284431 4.872119\nLi Fe Cu O\n3 1 4 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.740399 0.740399 0.772164 O\n0.728633 0.261632 0.746333 O\n0.261632 0.728633 0.746333 O\n0.224703 0.224703 0.787069 O\n0.775297 0.775297 0.212931 O\n0.738368 0.271367 0.253667 O\n0.271367 0.738368 0.253667 O\n0.259601 0.259601 0.227836 O\n",
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{
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{
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"structure_string": "Mg30 Co1 Cu1 O32\n1.0\n8.513064 0.000000 0.000000\n0.000000 8.513064 0.000000\n0.000000 0.000000 8.530888\nMg Co Cu O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.249173 0.249173 0.000000 Mg\n0.249173 0.750827 0.000000 Mg\n0.750827 0.249173 0.000000 Mg\n0.750827 0.750827 0.000000 Mg\n0.250016 0.250016 0.500000 Mg\n0.250016 0.749984 0.500000 Mg\n0.749984 0.250016 0.500000 Mg\n0.749984 0.749984 0.500000 Mg\n0.000000 0.250107 0.249144 Mg\n0.000000 0.749893 0.249144 Mg\n0.500000 0.251061 0.249833 Mg\n0.500000 0.748939 0.249833 Mg\n0.000000 0.250107 0.750856 Mg\n0.000000 0.749893 0.750856 Mg\n0.500000 0.251061 0.750167 Mg\n0.500000 0.748939 0.750167 Mg\n0.250107 0.000000 0.249144 Mg\n0.251061 0.500000 0.249833 Mg\n0.749893 0.000000 0.249144 Mg\n0.748939 0.500000 0.249833 Mg\n0.250107 0.000000 0.750856 Mg\n0.251061 0.500000 0.750167 Mg\n0.749893 0.000000 0.750856 Mg\n0.748939 0.500000 0.750167 Mg\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.250305 O\n0.000000 0.500000 0.249916 O\n0.500000 0.000000 0.249916 O\n0.500000 0.500000 0.256001 O\n0.000000 0.000000 0.749695 O\n0.000000 0.500000 0.750084 O\n0.500000 0.000000 0.750084 O\n0.500000 0.500000 0.743999 O\n0.249506 0.249506 0.249288 O\n0.249506 0.750494 0.249288 O\n0.750494 0.249506 0.249288 O\n0.750494 0.750494 0.249288 O\n0.249506 0.249506 0.750712 O\n0.249506 0.750494 0.750712 O\n0.750494 0.249506 0.750712 O\n0.750494 0.750494 0.750712 O\n0.000000 0.254934 0.000000 O\n0.000000 0.745066 0.000000 O\n0.500000 0.249634 0.000000 O\n0.500000 0.750366 0.000000 O\n0.000000 0.249422 0.500000 O\n0.000000 0.750578 0.500000 O\n0.500000 0.249276 0.500000 O\n0.500000 0.750724 0.500000 O\n0.254934 0.000000 0.000000 O\n0.249634 0.500000 0.000000 O\n0.745066 0.000000 0.000000 O\n0.750366 0.500000 0.000000 O\n0.249422 0.000000 0.500000 O\n0.249276 0.500000 0.500000 O\n0.750578 0.000000 0.500000 O\n0.750724 0.500000 0.500000 O\n",
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"nelements": 4,
"elements": [
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],
"chemical_system": "Co-Cu-Mg-O",
"density": 3.662462919200114,
"density_atomic": 0.10351753860977238,
"volume": 618.2527218045561,
"volume_molar": 5.817507681187747,
"formula_full": "Mg30 Co1 Cu1 O32",
"formula_reduced": "Mg30CoCuO32",
"formula_anonymous": "ABC30D32",
"energy": -404.31209425,
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"updated_at": "2021-11-28T01:36:59.676000Z",
"spacegroup": 123
},
{
"id": "mp-705030",
"created_at": "2022-09-04T14:45:34.029188Z",
"structure_string": "Li2 Cr2 P10 O30\n1.0\n9.699341 0.000000 0.000000\n0.000000 5.262690 0.000000\n0.000000 4.336197 12.390209\nLi Cr P O\n2 2 10 30\ndirect\n0.607546 0.050708 0.567322 Li\n0.392454 0.050708 0.067322 Li\n0.003463 0.011271 0.495613 Cr\n0.996537 0.011271 0.995613 Cr\n0.824071 0.595516 0.411574 P\n0.177977 0.428391 0.580743 P\n0.527828 0.466752 0.143480 P\n0.822023 0.428391 0.080743 P\n0.472172 0.466752 0.643480 P\n0.983204 0.011566 0.245767 P\n0.530389 0.525114 0.359901 P\n0.469611 0.525114 0.859901 P\n0.175929 0.595516 0.911574 P\n0.016796 0.011566 0.745767 P\n0.593422 0.489061 0.252748 O\n0.940793 0.972640 0.651499 O\n0.881129 0.755171 0.292205 O\n0.869302 0.299567 0.999742 O\n0.847733 0.724840 0.056743 O\n0.939739 0.048003 0.839706 O\n0.060261 0.048003 0.339706 O\n0.848148 0.296282 0.438125 O\n0.410848 0.715699 0.339790 O\n0.118421 0.266207 0.700080 O\n0.582472 0.255943 0.662515 O\n0.337019 0.358565 0.599463 O\n0.059207 0.972640 0.151499 O\n0.510326 0.743046 0.572781 O\n0.663897 0.660052 0.396056 O\n0.336103 0.660052 0.896056 O\n0.151852 0.296282 0.938125 O\n0.881579 0.266207 0.200080 O\n0.152267 0.724840 0.556743 O\n0.118871 0.755171 0.792205 O\n0.494873 0.250354 0.938948 O\n0.662981 0.358565 0.099463 O\n0.871686 0.724986 0.492491 O\n0.130698 0.299567 0.499742 O\n0.489674 0.743046 0.072781 O\n0.406578 0.489061 0.752748 O\n0.417528 0.255943 0.162515 O\n0.505127 0.250354 0.438948 O\n0.589152 0.715699 0.839790 O\n0.128314 0.724986 0.992491 O\n",
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"elements": [
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],
"chemical_system": "Cr-Li-O-P",
"density": 2.3829338066572006,
"density_atomic": 0.06957032427326407,
"volume": 632.4535706801246,
"volume_molar": 8.656191879091635,
"formula_full": "Li2 Cr2 P10 O30",
"formula_reduced": "LiCr(PO3)5",
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"updated_at": "2021-11-28T01:37:03.910000Z",
"spacegroup": 7
}
]
}