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{
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{
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{
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"structure_string": "Sc4 Tl2 Cu6 Se10\n1.0\n1.991255 -7.174902 0.000000\n1.991255 7.174902 0.000000\n0.000000 0.000000 16.384875\nSc Tl Cu Se\n4 2 6 10\ndirect\n0.691935 0.308065 0.593992 Sc\n0.308065 0.691935 0.406008 Sc\n0.308065 0.691935 0.093992 Sc\n0.691935 0.308065 0.906008 Sc\n0.564835 0.435165 0.250000 Tl\n0.435165 0.564835 0.750000 Tl\n0.917406 0.082594 0.535850 Cu\n0.082594 0.917406 0.464150 Cu\n0.082594 0.917406 0.035850 Cu\n0.917406 0.082594 0.964150 Cu\n0.847313 0.152687 0.250000 Cu\n0.152687 0.847313 0.750000 Cu\n0.249503 0.750497 0.250000 Se\n0.750497 0.249503 0.750000 Se\n0.936517 0.063483 0.117053 Se\n0.063483 0.936517 0.882947 Se\n0.063483 0.936517 0.617053 Se\n0.936517 0.063483 0.382947 Se\n0.674098 0.325902 0.070867 Se\n0.325902 0.674098 0.929133 Se\n0.325902 0.674098 0.570867 Se\n0.674098 0.325902 0.429133 Se\n",
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{
"id": "mp-1032617",
"created_at": "2022-09-04T14:44:17.583672Z",
"structure_string": "Mg6 Zn1 Co1 O8\n1.0\n8.528970 0.000000 0.000000\n0.000000 4.274537 0.000000\n0.000000 0.000000 4.274537\nMg Zn Co O\n6 1 1 8\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.248650 0.000000 0.500000 Mg\n0.751350 0.000000 0.500000 Mg\n0.248650 0.500000 0.000000 Mg\n0.751350 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Co\n0.253385 0.000000 0.000000 O\n0.746615 0.000000 0.000000 O\n0.250986 0.500000 0.500000 O\n0.749014 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
"id": "mp-863367",
"created_at": "2022-09-04T14:44:17.522991Z",
"structure_string": "K6 Bi6 O18\n1.0\n5.144585 7.102830 0.000000\n-5.144585 7.102830 0.000000\n0.000000 7.083845 7.317980\nK Bi O\n6 6 18\ndirect\n0.500000 0.000000 0.000000 K\n0.680259 0.012008 0.308907 K\n0.012008 0.680259 0.308907 K\n0.000000 0.500000 0.000000 K\n0.319741 0.987992 0.691093 K\n0.987992 0.319741 0.691093 K\n0.341139 0.658861 0.500000 Bi\n0.500067 0.500067 0.159740 Bi\n0.841018 0.841018 0.660899 Bi\n0.158982 0.158982 0.339101 Bi\n0.658861 0.341139 0.500000 Bi\n0.499933 0.499933 0.840260 Bi\n0.376846 0.951759 0.339914 O\n0.005371 0.005371 0.635477 O\n0.994629 0.994629 0.364523 O\n0.360404 0.639596 0.000000 O\n0.639596 0.360404 0.000000 O\n0.332801 0.661927 0.289211 O\n0.661927 0.332801 0.289211 O\n0.048241 0.623154 0.660086 O\n0.285882 0.285882 0.049248 O\n0.287204 0.287204 0.379937 O\n0.712796 0.712796 0.620063 O\n0.714118 0.714118 0.950752 O\n0.951759 0.376846 0.339914 O\n0.640016 0.640016 0.363936 O\n0.667199 0.338073 0.710789 O\n0.338073 0.667199 0.710789 O\n0.359984 0.359984 0.636064 O\n0.623154 0.048241 0.660086 O\n",
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{
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"structure_string": "Hg4 Sb12 Xe4 F68\n1.0\n10.754459 0.000000 0.000000\n0.000000 10.820986 0.000000\n0.000000 1.098744 14.040641\nHg Sb Xe F\n4 12 4 68\ndirect\n0.136714 0.958046 0.811773 Hg\n0.636714 0.541954 0.188227 Hg\n0.363286 0.458046 0.811773 Hg\n0.863286 0.041954 0.188227 Hg\n0.243461 0.733640 0.575735 Sb\n0.520403 0.068985 0.739595 Sb\n0.756539 0.266360 0.424265 Sb\n0.872073 0.791748 0.024895 Sb\n0.020403 0.431015 0.260405 Sb\n0.372073 0.708252 0.975105 Sb\n0.743461 0.766360 0.424265 Sb\n0.979597 0.568985 0.739595 Sb\n0.256539 0.233640 0.575735 Sb\n0.127927 0.208252 0.975105 Sb\n0.627927 0.291748 0.024895 Sb\n0.479597 0.931015 0.260405 Sb\n0.089289 0.009936 0.293930 Xe\n0.589289 0.490064 0.706070 Xe\n0.910711 0.990064 0.706070 Xe\n0.410711 0.509936 0.293930 Xe\n0.178499 0.148105 0.685364 F\n0.631307 0.014140 0.217850 F\n0.539591 0.143725 0.012078 F\n0.713758 0.445741 0.052398 F\n0.883322 0.507672 0.844504 F\n0.462008 0.211534 0.798226 F\n0.460409 0.856275 0.987922 F\n0.465484 0.674931 0.863086 F\n0.037992 0.711534 0.798226 F\n0.137975 0.809947 0.481229 F\n0.150421 0.333113 0.318480 F\n0.086293 0.637383 0.623022 F\n0.362025 0.309947 0.481229 F\n0.888176 0.678029 0.461943 F\n0.650421 0.166887 0.681520 F\n0.534516 0.325069 0.136914 F\n0.213758 0.054259 0.947602 F\n0.558104 0.935628 0.665748 F\n0.960409 0.643725 0.012078 F\n0.786242 0.945741 0.052398 F\n0.388176 0.821971 0.538057 F\n0.383322 0.992328 0.155496 F\n0.616678 0.007672 0.844504 F\n0.111824 0.321971 0.538057 F\n0.268380 0.723674 0.081818 F\n0.988882 0.890173 0.946368 F\n0.637975 0.690053 0.518771 F\n0.277202 0.596519 0.504036 F\n0.011118 0.109827 0.053632 F\n0.488882 0.609827 0.053632 F\n0.286242 0.554259 0.947602 F\n0.537992 0.788466 0.201774 F\n0.586293 0.862617 0.376978 F\n0.913707 0.362617 0.376978 F\n0.731620 0.276326 0.918182 F\n0.806979 0.142244 0.339981 F\n0.941896 0.435628 0.665748 F\n0.368693 0.985860 0.782150 F\n0.306979 0.357756 0.660019 F\n0.752194 0.205699 0.107308 F\n0.693021 0.642244 0.339981 F\n0.058104 0.564372 0.334252 F\n0.511118 0.390173 0.946368 F\n0.413707 0.137383 0.623022 F\n0.722798 0.403481 0.495964 F\n0.131307 0.485860 0.782150 F\n0.039591 0.356275 0.987922 F\n0.222798 0.096519 0.504036 F\n0.747806 0.705699 0.107308 F\n0.868693 0.514140 0.217850 F\n0.962008 0.288466 0.201774 F\n0.821501 0.851895 0.314636 F\n0.441896 0.064372 0.334252 F\n0.034516 0.174931 0.863086 F\n0.678499 0.351895 0.314636 F\n0.611824 0.178029 0.461943 F\n0.965484 0.825069 0.136914 F\n0.247806 0.794301 0.892692 F\n0.768380 0.776326 0.918182 F\n0.849579 0.666887 0.681520 F\n0.349579 0.833113 0.318480 F\n0.321501 0.648105 0.685364 F\n0.231620 0.223674 0.081818 F\n0.116678 0.492328 0.155496 F\n0.777202 0.903481 0.495964 F\n0.862025 0.190053 0.518771 F\n0.193021 0.857756 0.660019 F\n0.252194 0.294301 0.892692 F\n",
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"elements": [
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],
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"formula_full": "Hg4 Sb12 Xe4 F68",
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"updated_at": "2021-11-28T01:36:41.031000Z",
"spacegroup": 14
},
{
"id": "mp-1228581",
"created_at": "2022-09-04T14:44:17.074850Z",
"structure_string": "Ba4 Na2 W2 O11\n1.0\n4.205125 -4.289268 0.000000\n4.205125 4.289268 0.000000\n0.000000 0.000000 8.709846\nBa Na W O\n4 2 2 11\ndirect\n0.021525 0.475601 0.278960 Ba\n0.021525 0.475601 0.721040 Ba\n0.524399 0.978475 0.278960 Ba\n0.524399 0.978475 0.721040 Ba\n0.516102 0.483898 0.500000 Na\n0.978506 0.021494 0.000000 Na\n0.501148 0.498852 0.000000 W\n0.020191 0.979809 0.500000 W\n0.246031 0.753968 0.500000 O\n0.789422 0.210578 0.500000 O\n0.781602 0.755705 0.500000 O\n0.244295 0.218398 0.500000 O\n0.023276 0.976724 0.271417 O\n0.023276 0.976724 0.728583 O\n0.492712 0.507288 0.777439 O\n0.492712 0.507288 0.222561 O\n0.716759 0.283241 0.000000 O\n0.597300 0.801443 0.000000 O\n0.198557 0.402700 0.000000 O\n",
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],
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"formula_full": "Ba4 Na2 W2 O11",
"formula_reduced": "Ba4Na2W2O11",
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{
"id": "mp-1177518",
"created_at": "2022-09-04T14:44:23.143650Z",
"structure_string": "Li4 Mn2 Ni3 Sn1 P6 O24\n1.0\n8.606166 0.000000 0.000000\n4.139989 7.639978 0.000000\n4.130846 2.520654 7.225201\nLi Mn Ni Sn P O\n4 2 3 1 6 24\ndirect\n0.256980 0.642698 0.852299 Li\n0.692253 0.358979 0.156451 Li\n0.361387 0.154955 0.689501 Li\n0.156148 0.683806 0.363813 Li\n0.981808 0.999546 0.998264 Mn\n0.515039 0.501281 0.498461 Mn\n0.860515 0.853094 0.850215 Ni\n0.641444 0.650901 0.648254 Ni\n0.355897 0.346775 0.349824 Ni\n0.144906 0.148010 0.152502 Sn\n0.751580 0.043939 0.458963 P\n0.448732 0.749538 0.040557 P\n0.055103 0.463451 0.753881 P\n0.947582 0.553833 0.256729 P\n0.554622 0.250018 0.950992 P\n0.253142 0.950737 0.555323 P\n0.878764 0.509994 0.720740 O\n0.700591 0.889383 0.480746 O\n0.940991 0.737668 0.090578 O\n0.442133 0.704959 0.893973 O\n0.982280 0.394421 0.194910 O\n0.759379 0.565632 0.413228 O\n0.744294 0.096948 0.921405 O\n0.541945 0.419364 0.771000 O\n0.835965 0.004298 0.595786 O\n0.404944 0.756903 0.568894 O\n0.890581 0.099211 0.244652 O\n0.604024 0.821800 0.976813 O\n0.395326 0.180927 0.996186 O\n0.100340 0.925120 0.748697 O\n0.583555 0.234042 0.453669 O\n0.188931 0.990306 0.397026 O\n0.454452 0.580202 0.227939 O\n0.240395 0.892568 0.104302 O\n0.238097 0.449619 0.580102 O\n0.051022 0.596111 0.824296 O\n0.525591 0.304761 0.108618 O\n0.097642 0.250627 0.895018 O\n0.313668 0.105891 0.522103 O\n0.107950 0.514685 0.316293 O\n",
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{
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"structure_string": "Tm8 Zn4 S16\n1.0\n6.293192 0.000000 0.000000\n0.000000 7.794250 0.000000\n0.000000 0.000000 13.395121\nTm Zn S\n8 4 16\ndirect\n0.502953 0.750000 0.765115 Tm\n0.002953 0.250000 0.734885 Tm\n0.497047 0.250000 0.234885 Tm\n0.997047 0.750000 0.265115 Tm\n0.500000 0.500000 0.500000 Tm\n0.000000 0.500000 0.000000 Tm\n0.500000 0.000000 0.500000 Tm\n0.000000 0.000000 0.000000 Tm\n0.088585 0.750000 0.591575 Zn\n0.588585 0.250000 0.908425 Zn\n0.911415 0.250000 0.408425 Zn\n0.411415 0.750000 0.091575 Zn\n0.242475 0.511608 0.168330 S\n0.742475 0.488392 0.331670 S\n0.757525 0.011608 0.831670 S\n0.257525 0.988392 0.668330 S\n0.757525 0.488392 0.831670 S\n0.257525 0.511608 0.668330 S\n0.242475 0.988392 0.168330 S\n0.742475 0.011608 0.331670 S\n0.254764 0.750000 0.929011 S\n0.754764 0.250000 0.570989 S\n0.745236 0.250000 0.070989 S\n0.245236 0.750000 0.429011 S\n0.777240 0.750000 0.090321 S\n0.277240 0.250000 0.409679 S\n0.222760 0.250000 0.909679 S\n0.722760 0.750000 0.590321 S\n",
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],
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]
}