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{
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{
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{
"id": "mp-38505",
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"structure_string": "Ga2 Cu2 Se4\n1.0\n-2.650821 2.650821 5.339373\n2.650821 -2.650821 5.339373\n2.650821 2.650821 -5.339373\nGa Cu Se\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.749737 0.749737 0.000000 Se\n0.250263 0.250263 0.000000 Se\n0.000263 0.500263 0.500000 Se\n0.499737 0.999737 0.500000 Se\n",
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{
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"structure_string": "Ca2 Nb4 P12 O42\n1.0\n5.388054 6.744510 0.000000\n-5.388054 6.744510 0.000000\n0.000000 1.343414 12.539746\nCa Nb P O\n2 4 12 42\ndirect\n0.224704 0.224704 0.862580 Ca\n0.775296 0.775296 0.137420 Ca\n0.285540 0.285540 0.179056 Nb\n0.244961 0.755039 0.500000 Nb\n0.755039 0.244961 0.500000 Nb\n0.714460 0.714460 0.820944 Nb\n0.677870 0.202665 0.102692 P\n0.140497 0.140497 0.590044 P\n0.343260 0.343260 0.456975 P\n0.202665 0.677870 0.102692 P\n0.350352 0.869915 0.233602 P\n0.649648 0.130085 0.766398 P\n0.322130 0.797335 0.897308 P\n0.656740 0.656740 0.543025 P\n0.130085 0.649648 0.766398 P\n0.869915 0.350352 0.233602 P\n0.859503 0.859503 0.409956 P\n0.797335 0.322130 0.897308 P\n0.296588 0.816435 0.349802 O\n0.183565 0.703412 0.650198 O\n0.828563 0.220041 0.162293 O\n0.171437 0.779959 0.837707 O\n0.016773 0.785493 0.464901 O\n0.725950 0.725950 0.958496 O\n0.266966 0.528963 0.173544 O\n0.296504 0.962551 0.929615 O\n0.983227 0.214507 0.535099 O\n0.214507 0.983227 0.535099 O\n0.816435 0.296588 0.349802 O\n0.528963 0.266966 0.173544 O\n0.477160 0.713026 0.526691 O\n0.703412 0.183565 0.650198 O\n0.220041 0.828563 0.162293 O\n0.962551 0.296504 0.929615 O\n0.788488 0.514903 0.200721 O\n0.298906 0.298906 0.353868 O\n0.733034 0.471037 0.826456 O\n0.485097 0.211512 0.799279 O\n0.127887 0.127887 0.708503 O\n0.948112 0.684969 0.775929 O\n0.703496 0.037449 0.070385 O\n0.471037 0.733034 0.826456 O\n0.211512 0.485097 0.799279 O\n0.522840 0.286974 0.473309 O\n0.713026 0.477160 0.526691 O\n0.684969 0.948112 0.775929 O\n0.785493 0.016773 0.464901 O\n0.671374 0.328626 0.000000 O\n0.779959 0.171437 0.837707 O\n0.259085 0.259085 0.556101 O\n0.514903 0.788488 0.200721 O\n0.315031 0.051888 0.224071 O\n0.274050 0.274050 0.041504 O\n0.286974 0.522840 0.473309 O\n0.037449 0.703496 0.070385 O\n0.872113 0.872113 0.291497 O\n0.740915 0.740915 0.443899 O\n0.701094 0.701094 0.646132 O\n0.051888 0.315031 0.224071 O\n0.328626 0.671374 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:42:44.364417Z",
"structure_string": "Ba4 Li1 Ge4 O12\n1.0\n4.714742 0.029159 -0.022586\n0.035214 5.940828 -0.084162\n-0.067814 -0.194799 13.008092\nBa Li Ge O\n4 1 4 12\ndirect\n0.259642 0.790902 0.852801 Ba\n0.765702 0.671697 0.139635 Ba\n0.700937 0.301866 0.646116 Ba\n0.215686 0.123190 0.340348 Ba\n0.156760 0.457028 0.518585 Li\n0.806642 0.283340 0.923956 Ge\n0.312482 0.186962 0.077217 Ge\n0.200514 0.865291 0.590832 Ge\n0.693334 0.710184 0.435960 Ge\n0.751692 0.572676 0.908857 O\n0.254916 0.906320 0.106988 O\n0.247227 0.156823 0.543961 O\n0.803600 0.427225 0.431130 O\n0.729381 0.088755 0.825473 O\n0.246637 0.393395 0.172258 O\n0.230647 0.589624 0.662655 O\n0.740550 0.872670 0.326114 O\n0.314418 0.723930 0.461145 O\n0.812286 0.840266 0.556780 O\n0.693144 0.206713 0.051721 O\n0.188805 0.247812 0.947876 O\n",
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{
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{
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{
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{
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{
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{
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"created_at": "2022-09-04T14:42:44.619333Z",
"structure_string": "Li1 Cu1 S2\n1.0\n1.710553 3.866076 0.000000\n-1.710553 3.866076 0.000000\n0.000000 2.801074 5.372651\nLi Cu S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Cu\n0.873162 0.873162 0.265665 S\n0.126838 0.126838 0.734335 S\n",
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"elements": [
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],
"chemical_system": "Cu-Li-S",
"density": 3.14574458133786,
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"formula_full": "Li1 Cu1 S2",
"formula_reduced": "LiCuS2",
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"updated_at": "2021-11-28T01:35:59.558000Z",
"spacegroup": 12
},
{
"id": "mp-776825",
"created_at": "2022-09-04T14:42:44.933914Z",
"structure_string": "Ba4 Y12 F44\n1.0\n6.270447 0.000000 0.000000\n0.000000 7.855297 0.000000\n0.000000 0.000000 29.681134\nBa Y F\n4 12 44\ndirect\n0.229687 0.905991 0.209561 Ba\n0.270313 0.094009 0.709561 Ba\n0.729687 0.594009 0.790439 Ba\n0.770313 0.405991 0.290439 Ba\n0.241467 0.250309 0.086348 Y\n0.241410 0.589921 0.968787 Y\n0.235027 0.940626 0.852631 Y\n0.264973 0.059374 0.352631 Y\n0.258590 0.410079 0.468787 Y\n0.258533 0.749691 0.586348 Y\n0.741467 0.249691 0.913652 Y\n0.741410 0.910079 0.031213 Y\n0.735027 0.559374 0.147369 Y\n0.764973 0.440626 0.647369 Y\n0.758590 0.089921 0.531213 Y\n0.758533 0.750309 0.413652 Y\n0.020741 0.105558 0.890976 F\n0.015499 0.429872 0.118229 F\n0.091280 0.233496 0.307309 F\n0.000729 0.757786 0.000345 F\n0.017821 0.583886 0.438947 F\n0.021378 0.933367 0.559019 F\n0.044592 0.308892 0.673156 F\n0.228599 0.108986 0.793873 F\n0.240737 0.130296 0.151603 F\n0.237378 0.420682 0.027471 F\n0.245581 0.246154 0.409049 F\n0.254419 0.753846 0.909049 F\n0.262622 0.579318 0.527471 F\n0.259263 0.869704 0.651603 F\n0.271401 0.891014 0.293873 F\n0.455408 0.691108 0.173156 F\n0.478622 0.066633 0.059019 F\n0.482179 0.416114 0.938947 F\n0.499271 0.242214 0.500345 F\n0.408720 0.766504 0.807309 F\n0.484501 0.570128 0.618229 F\n0.479259 0.894442 0.390976 F\n0.520741 0.394442 0.109024 F\n0.515499 0.070128 0.881771 F\n0.591280 0.266504 0.692691 F\n0.500729 0.742214 0.999655 F\n0.517821 0.916114 0.561053 F\n0.521378 0.566633 0.440981 F\n0.544592 0.191108 0.326844 F\n0.728599 0.391014 0.206127 F\n0.740737 0.369704 0.848397 F\n0.737378 0.079318 0.972529 F\n0.745581 0.253846 0.590951 F\n0.754419 0.746154 0.090951 F\n0.762622 0.920682 0.472529 F\n0.759263 0.630296 0.348397 F\n0.771401 0.608986 0.706127 F\n0.955408 0.808892 0.826844 F\n0.978622 0.433367 0.940981 F\n0.982179 0.083886 0.061053 F\n0.999271 0.257786 0.499655 F\n0.908720 0.733496 0.192691 F\n0.984501 0.929872 0.381771 F\n0.979259 0.605558 0.609024 F\n",
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"elements": [
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],
"chemical_system": "Ba-F-Y",
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"formula_full": "Ba4 Y12 F44",
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"updated_at": "2021-11-28T01:35:56.699000Z",
"spacegroup": 19
}
]
}