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{
"id": "mp-1030102",
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{
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"structure_string": "Li8 Mn6 Co2 O16\n1.0\n2.546615 -0.016180 -1.339339\n-1.097235 39.103378 -1.656655\n-0.048293 0.050267 3.084206\nLi Mn Co O\n8 6 2 16\ndirect\n0.301798 0.061584 0.630062 Li\n0.803478 0.561977 0.631663 Li\n0.198150 0.438337 0.370953 Li\n0.697716 0.938079 0.369224 Li\n0.935919 0.187111 0.878505 Li\n0.435423 0.687441 0.877072 Li\n0.563093 0.312759 0.121467 Li\n0.064150 0.812741 0.121209 Li\n0.749241 0.750111 0.497823 Mn\n0.121013 0.624735 0.257734 Mn\n0.379633 0.875382 0.741458 Mn\n0.248677 0.249944 0.498612 Mn\n0.621740 0.124282 0.259891 Mn\n0.878284 0.375578 0.741776 Mn\n0.000504 0.999745 0.002236 Co\n0.500424 0.500231 0.999513 Co\n0.642049 0.027849 0.331692 O\n0.139711 0.528446 0.326053 O\n0.858915 0.472108 0.670237 O\n0.361314 0.971540 0.675741 O\n0.263201 0.153380 0.531116 O\n0.762395 0.653849 0.529275 O\n0.237105 0.346450 0.470694 O\n0.737923 0.846285 0.469630 O\n0.890236 0.279072 0.770603 O\n0.390973 0.779195 0.770212 O\n0.607851 0.220824 0.227705 O\n0.108069 0.721026 0.226423 O\n0.519759 0.404737 0.012235 O\n0.021502 0.904438 0.012950 O\n0.980628 0.095102 0.989656 O\n0.479129 0.595661 0.986579 O\n",
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{
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"structure_string": "Ba4 Sn4 N8\n1.0\n7.254361 0.096035 0.000000\n11.744933 5.794257 0.000000\n0.000000 0.000000 7.948493\nBa Sn N\n4 4 8\ndirect\n0.000000 0.178248 0.584041 Ba\n0.000000 0.821752 0.415959 Ba\n0.000000 0.321752 0.084041 Ba\n0.000000 0.678248 0.915959 Ba\n0.000000 0.436191 0.651479 Sn\n0.000000 0.563809 0.348521 Sn\n0.000000 0.063809 0.151479 Sn\n0.000000 0.936191 0.848521 Sn\n0.000000 0.096065 0.888118 N\n0.000000 0.903935 0.111882 N\n0.000000 0.403935 0.388118 N\n0.000000 0.596065 0.611882 N\n0.500000 0.599970 0.750000 N\n0.500000 0.900030 0.250000 N\n0.500000 0.400030 0.250000 N\n0.500000 0.099970 0.750000 N\n",
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"formula_full": "Ba4 Sn4 N8",
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{
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"created_at": "2022-09-04T14:44:31.309539Z",
"structure_string": "K2 Li2 S2 O8\n1.0\n2.606945 -4.515362 0.000000\n2.606945 4.515362 0.000000\n0.000000 0.000000 8.812700\nK Li S O\n2 2 2 8\ndirect\n0.000000 0.000000 0.180288 K\n0.000000 0.000000 0.680288 K\n0.333333 0.666667 0.493234 Li\n0.666667 0.333333 0.993234 Li\n0.333333 0.666667 0.883056 S\n0.666667 0.333333 0.383056 S\n0.940229 0.339451 0.438015 O\n0.600778 0.660549 0.938015 O\n0.660549 0.600778 0.438015 O\n0.399222 0.059771 0.438015 O\n0.333333 0.666667 0.713878 O\n0.666667 0.333333 0.213878 O\n0.339451 0.940229 0.938015 O\n0.059771 0.399222 0.938015 O\n",
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{
"id": "mp-1210145",
"created_at": "2022-09-04T14:44:31.319528Z",
"structure_string": "Nd4 Cr4 Ge4 O20\n1.0\n5.879937 0.000000 0.000000\n0.000000 7.584835 0.000000\n0.000000 0.000000 8.636706\nNd Cr Ge O\n4 4 4 20\ndirect\n0.500000 0.358638 0.325824 Nd\n0.500000 0.641362 0.674176 Nd\n0.500000 0.141362 0.825824 Nd\n0.500000 0.858638 0.174176 Nd\n0.246580 0.000000 0.500000 Cr\n0.753420 0.000000 0.500000 Cr\n0.753420 0.500000 0.000000 Cr\n0.246580 0.500000 0.000000 Cr\n0.000000 0.115654 0.143058 Ge\n0.000000 0.884346 0.856942 Ge\n0.000000 0.384346 0.643058 Ge\n0.000000 0.615654 0.356942 Ge\n0.242862 0.104787 0.282061 O\n0.757138 0.895213 0.717939 O\n0.242862 0.895213 0.717939 O\n0.757138 0.395213 0.782061 O\n0.757138 0.104787 0.282061 O\n0.242862 0.604787 0.217939 O\n0.757138 0.604787 0.217939 O\n0.242862 0.395213 0.782061 O\n0.000000 0.338050 0.076296 O\n0.000000 0.661950 0.923704 O\n0.000000 0.161950 0.576296 O\n0.000000 0.838050 0.423704 O\n0.500000 0.335500 0.052314 O\n0.500000 0.664500 0.947686 O\n0.500000 0.164500 0.552314 O\n0.500000 0.835500 0.447686 O\n0.207012 0.000000 0.000000 O\n0.792988 0.000000 0.000000 O\n0.792988 0.500000 0.500000 O\n0.207012 0.500000 0.500000 O\n",
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{
"id": "mp-26415",
"created_at": "2022-09-04T14:44:31.321823Z",
"structure_string": "Li8 V4 P8 O32\n1.0\n0.006254 -0.000004 5.097804\n7.613094 7.765592 -0.538938\n-7.613380 7.765865 0.538908\nLi V P O\n8 4 8 32\ndirect\n0.890621 0.638619 0.229938 Li\n0.890537 0.138626 0.729978 Li\n0.609300 0.229975 0.138592 Li\n0.609267 0.729954 0.638623 Li\n0.390719 0.770056 0.861398 Li\n0.390649 0.270045 0.361371 Li\n0.109382 0.361341 0.770027 Li\n0.109308 0.861405 0.270039 Li\n0.500107 0.500088 0.499937 V\n0.000175 0.999913 0.500046 V\n0.500207 0.999991 0.000050 V\n0.999881 0.500072 0.999954 V\n0.040591 0.194570 0.993573 P\n0.040529 0.694542 0.493548 P\n0.540365 0.506431 0.805400 P\n0.540599 0.006392 0.305451 P\n0.959612 0.805450 0.006453 P\n0.959569 0.305481 0.506416 P\n0.459415 0.493604 0.194525 P\n0.459593 0.993563 0.694580 P\n0.429010 0.356526 0.207216 O\n0.428928 0.856510 0.707257 O\n0.928933 0.792759 0.143472 O\n0.929065 0.292746 0.643443 O\n0.570992 0.643478 0.792740 O\n0.571013 0.143467 0.292740 O\n0.070991 0.207192 0.856555 O\n0.070924 0.707272 0.356515 O\n0.972499 0.318461 0.056320 O\n0.972510 0.818458 0.556408 O\n0.472539 0.443642 0.681524 O\n0.472599 0.943583 0.181591 O\n0.027379 0.681542 0.943630 O\n0.027459 0.181494 0.443639 O\n0.527467 0.556415 0.318407 O\n0.527400 0.056357 0.818495 O\n0.702459 0.859344 0.955777 O\n0.702329 0.359381 0.455817 O\n0.297578 0.140588 0.044245 O\n0.297625 0.640703 0.544179 O\n0.797656 0.455800 0.859329 O\n0.797661 0.955789 0.359428 O\n0.202183 0.544195 0.140615 O\n0.202337 0.044161 0.640700 O\n0.309783 0.459997 0.898072 O\n0.309863 0.959973 0.398090 O\n0.809801 0.101933 0.040007 O\n0.809945 0.601945 0.539993 O\n0.690082 0.540055 0.101869 O\n0.690153 0.039973 0.601980 O\n0.190238 0.898039 0.960061 O\n0.190176 0.398104 0.459992 O\n",
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{
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"structure_string": "Na1 Cr2 S4\n1.0\n1.689798 7.191189 0.000000\n-1.689798 7.191189 0.000000\n0.000000 1.748804 5.353650\nNa Cr S\n1 2 4\ndirect\n0.500000 0.500000 0.500000 Na\n0.753113 0.753113 0.203473 Cr\n0.246887 0.246887 0.796527 Cr\n0.359229 0.359229 0.000597 S\n0.640771 0.640771 0.999403 S\n0.836887 0.836887 0.515837 S\n0.163113 0.163113 0.484163 S\n",
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{
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{
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"chemical_system": "Ba-O-Si",
"density": 3.6080758624167797,
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"formula_full": "Ba4 Si8 O20",
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{
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"structure_string": "Sm1 Cd1 Ag2\n1.0\n0.000000 3.553189 3.553189\n3.553189 0.000000 3.553189\n3.553189 3.553189 0.000000\nSm Cd Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n",
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"density": 8.856310479505012,
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"formula_full": "Sm1 Cd1 Ag2",
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"updated_at": "2021-11-28T01:36:45.721000Z",
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]
}