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{
"id": "jvasp-19301",
"created_at": "2022-09-04T14:37:10.629065Z",
"updated_at": "2022-09-04T14:37:10.629091Z",
"structure_string": "V4 Zn6 O14\n1.0\n5.172984 -0.000000 -0.000000\n-0.000000 4.973816 -1.341606\n0.000000 -0.113252 9.470793\nV Zn O\n4 6 14\ndirect\n0.756289 0.357098 0.202602 V\n0.256289 0.642903 0.797397 V\n0.256289 0.845505 0.202602 V\n0.756289 0.154496 0.797397 V\n0.718008 0.758082 -0.000000 Zn\n0.218008 0.241919 -0.000000 Zn\n0.795839 0.575344 0.601088 Zn\n0.295839 0.424657 0.398911 Zn\n0.795839 0.974255 0.398911 Zn\n0.295839 0.025746 0.601088 Zn\n0.300519 0.629270 -0.000000 O\n0.800519 0.370731 -0.000000 O\n0.443415 0.141872 0.153748 O\n0.943415 0.858129 0.846252 O\n0.072243 0.549847 0.254454 O\n0.572242 0.450155 0.745545 O\n0.182950 0.056416 0.405700 O\n0.072243 0.295392 0.745545 O\n0.682950 0.349286 0.405700 O\n0.182950 0.650715 0.594300 O\n0.943415 0.011876 0.153748 O\n0.682950 0.943586 0.594300 O\n0.572242 0.704609 0.254454 O\n0.443415 -0.011876 0.846252 O\n",
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{
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"structure_string": "Li4 Mn2 Fe2 B4 O12\n1.0\n5.149024 -0.112854 -0.054432\n0.126917 5.969120 0.050397\n0.083040 1.602439 7.912070\nLi Mn Fe B O\n4 2 2 4 12\ndirect\n0.915907 0.537662 0.147619 Li\n0.427133 0.032160 0.648048 Li\n0.572867 0.967840 0.351952 Li\n0.084092 0.462338 0.852382 Li\n0.906876 0.257814 0.502579 Mn\n0.093124 0.742187 0.497422 Mn\n0.423231 0.793312 0.014756 Fe\n0.576768 0.206689 0.985245 Fe\n0.590277 0.571159 0.670161 B\n0.928524 0.904432 0.827839 B\n0.071475 0.095569 0.172161 B\n0.409722 0.428842 0.329840 B\n0.060865 0.002920 0.682925 O\n0.950390 0.248669 0.044218 O\n0.939135 0.997081 0.317076 O\n0.336167 0.045176 0.160196 O\n0.554410 0.549316 0.196235 O\n0.518568 0.253052 0.448212 O\n0.146455 0.482541 0.342395 O\n0.853544 0.517459 0.657606 O\n0.481431 0.746949 0.551789 O\n0.445590 0.450685 0.803765 O\n0.663833 0.954825 0.839805 O\n0.049609 0.751332 0.955783 O\n",
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{
"id": "jvasp-64541",
"created_at": "2022-09-04T14:38:16.158143Z",
"updated_at": "2022-09-04T14:38:16.158170Z",
"structure_string": "Ba4 Se1 Br1\n1.0\n-0.000000 4.952026 4.952026\n4.952026 -0.000000 4.952026\n4.952026 4.952026 -0.000000\nBa Se Br\n4 1 1\ndirect\n0.122788 0.625738 0.625738 Ba\n0.625738 0.625738 0.625738 Ba\n0.625738 0.122788 0.625738 Ba\n0.625738 0.625738 0.122788 Ba\n0.000000 0.000000 0.000000 Se\n0.250000 0.250000 0.250000 Br\n",
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{
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"updated_at": "2022-09-04T14:37:42.692690Z",
"structure_string": "Dy2 Mo2 Cl2 O8\n1.0\n6.091449 0.001456 1.513380\n1.776958 5.826506 1.513380\n0.012407 0.009189 6.848161\nDy Mo Cl O\n2 2 2 8\ndirect\n0.778265 0.778266 0.108968 Dy\n0.221736 0.221736 0.891031 Dy\n0.362498 0.362498 0.269742 Mo\n0.637503 0.637504 0.730258 Mo\n0.009082 0.009081 0.237916 Cl\n0.990919 0.990920 0.762084 Cl\n0.490168 0.110308 0.153655 O\n0.110308 0.490168 0.153655 O\n0.294670 0.294670 0.536175 O\n0.889693 0.509833 0.846345 O\n0.705331 0.705332 0.463825 O\n0.509832 0.889693 0.846345 O\n0.542218 0.542219 0.201451 O\n0.457783 0.457783 0.798549 O\n",
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{
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"created_at": "2022-09-04T14:38:29.566388Z",
"updated_at": "2022-09-04T14:38:29.566416Z",
"structure_string": "Ca2 Sn2 S6\n1.0\n0.000000 0.000000 -6.315966\n-3.331712 -5.770714 0.000000\n-3.331712 5.770714 -0.000000\nCa Sn S\n2 2 6\ndirect\n0.250000 0.666729 0.333271 Ca\n0.750000 0.333271 0.666729 Ca\n0.000000 0.000000 0.000000 Sn\n0.500000 0.000000 0.000000 Sn\n0.250000 0.174295 0.825705 S\n0.250000 0.651414 0.825730 S\n0.250000 0.174269 0.348586 S\n0.750000 0.825705 0.174295 S\n0.750000 0.348586 0.174269 S\n0.750000 0.825730 0.651414 S\n",
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{
"id": "jvasp-64206",
"created_at": "2022-09-04T14:35:59.930265Z",
"updated_at": "2022-09-04T14:35:59.930296Z",
"structure_string": "Ba4 V1 Pb1\n1.0\n-0.000000 4.951965 4.951965\n4.951965 0.000000 4.951965\n4.951965 4.951965 -0.000000\nBa V Pb\n4 1 1\ndirect\n0.125840 0.624720 0.624720 Ba\n0.624720 0.624720 0.624720 Ba\n0.624720 0.125840 0.624720 Ba\n0.624720 0.624720 0.125840 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Pb\n",
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{
"id": "jvasp-119733",
"created_at": "2022-09-04T14:38:36.950490Z",
"updated_at": "2022-09-04T14:38:36.950509Z",
"structure_string": "Ti1 V4 Cu1 O12\n1.0\n6.465871 0.072844 1.730416\n0.276147 6.460382 1.730416\n-0.017400 -0.016861 5.807859\nTi V Cu O\n1 4 1 12\ndirect\n0.082805 0.917195 0.000001 Ti\n0.801927 0.615438 0.502150 V\n0.608709 0.789056 0.017529 V\n0.384562 0.198073 0.497852 V\n0.210944 0.391291 0.982472 V\n0.904462 0.095537 0.500001 Cu\n0.183307 0.029668 0.636544 O\n0.371998 0.334471 0.191794 O\n0.362787 0.906893 0.028941 O\n0.359650 0.377860 0.688345 O\n0.665528 0.628002 0.808208 O\n0.798211 0.964145 0.923867 O\n0.622140 0.640349 0.311657 O\n0.093107 0.637213 0.971060 O\n0.929132 0.385454 0.511789 O\n0.970332 0.816692 0.363457 O\n0.614545 0.070868 0.488213 O\n0.035855 0.201789 0.076134 O\n",
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"formula_full": "Ti1 V4 Cu1 O12",
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{
"id": "jvasp-12805",
"created_at": "2022-09-04T14:38:14.307683Z",
"updated_at": "2022-09-04T14:38:14.307721Z",
"structure_string": "Li12 B4 O12\n1.0\n3.236434 -0.005135 0.000000\n-1.592621 8.183737 0.000000\n0.000000 0.000000 9.171824\nLi B O\n12 4 12\ndirect\n0.506536 0.982890 0.768524 Li\n0.493464 0.517112 0.268525 Li\n0.493464 0.017111 0.231475 Li\n0.506536 0.482889 0.731475 Li\n0.723698 0.888174 0.523639 Li\n0.276301 0.611827 0.023639 Li\n0.276301 0.111827 0.476360 Li\n0.723698 0.388174 0.976360 Li\n0.091578 0.631987 0.572425 Li\n0.908422 0.868014 0.072425 Li\n0.908422 0.368015 0.427574 Li\n0.091578 0.131987 0.927574 Li\n0.801116 0.245101 0.686800 B\n0.198884 0.254900 0.186800 B\n0.198884 0.754900 0.313200 B\n0.801116 0.745101 0.813200 B\n0.969827 0.900776 0.862392 O\n0.030173 0.599225 0.362393 O\n0.030172 0.099225 0.137607 O\n0.969827 0.400776 0.637607 O\n0.772464 0.611062 0.905556 O\n0.227536 0.888939 0.405556 O\n0.227536 0.388939 0.094444 O\n0.772464 0.111062 0.594443 O\n0.636198 0.720606 0.672170 O\n0.363802 0.779395 0.172170 O\n0.363802 0.279395 0.327830 O\n0.636198 0.220606 0.827829 O\n",
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"formula_full": "Li12 B4 O12",
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{
"id": "jvasp-46406",
"created_at": "2022-09-04T14:38:03.024781Z",
"updated_at": "2022-09-04T14:38:03.024798Z",
"structure_string": "Li8 Mn2 B4 O12\n1.0\n3.291963 0.000000 0.000000\n0.000000 7.936631 -0.000000\n0.000000 0.000000 9.293771\nLi Mn B O\n8 2 4 12\ndirect\n0.499999 0.832066 0.944944 Li\n0.000000 0.994747 0.797470 Li\n0.499999 0.494747 0.702530 Li\n0.000000 0.332066 0.555056 Li\n0.000000 0.667934 0.444944 Li\n0.499999 0.505253 0.297470 Li\n0.000000 0.005253 0.202530 Li\n0.499999 0.167934 0.055056 Li\n0.000000 0.500000 0.000000 Mn\n0.499999 0.000000 0.500000 Mn\n0.499999 0.765224 0.202128 B\n0.000000 0.265224 0.297872 B\n0.499999 0.234776 0.797872 B\n0.000000 0.734776 0.702128 B\n0.000000 0.247035 0.149428 O\n0.499999 0.380987 0.884991 O\n0.000000 0.752965 0.850571 O\n0.499999 0.079932 0.862563 O\n0.000000 0.579932 0.637437 O\n0.499999 0.252965 0.649428 O\n0.000000 0.880987 0.615009 O\n0.000000 0.119013 0.384991 O\n0.499999 0.747034 0.350572 O\n0.000000 0.420068 0.362563 O\n0.499999 0.920068 0.137437 O\n0.499999 0.619013 0.115009 O\n",
"nsites": 26,
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"formula_full": "Li8 Mn2 B4 O12",
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{
"id": "jvasp-47837",
"created_at": "2022-09-04T14:37:04.983581Z",
"updated_at": "2022-09-04T14:37:04.983604Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n5.566021 0.000000 0.000000\n0.000000 5.566021 0.000000\n0.000000 0.000000 7.837684\nLi Fe Si O\n4 4 4 16\ndirect\n0.768485 0.000000 0.750000 Li\n0.231515 0.000000 0.250000 Li\n0.000000 0.768485 0.500000 Li\n0.000000 0.231515 0.000000 Li\n0.500000 0.753926 0.500000 Fe\n0.753926 0.500000 0.750000 Fe\n0.246073 0.500000 0.250000 Fe\n0.500000 0.246073 0.000000 Fe\n0.251568 0.251568 0.625000 Si\n0.748432 0.251568 0.375000 Si\n0.251568 0.748432 0.874999 Si\n0.748432 0.748432 0.125000 Si\n0.004306 0.262215 0.739460 O\n0.995694 0.262215 0.260539 O\n0.497107 0.260209 0.752703 O\n0.502893 0.260209 0.247296 O\n0.260209 0.502893 0.002703 O\n0.739791 0.502893 -0.002703 O\n0.260209 0.497107 0.497296 O\n0.262215 0.004306 0.510539 O\n0.497107 0.739791 0.747296 O\n0.502893 0.739791 0.252703 O\n0.995694 0.737785 0.239460 O\n0.004306 0.737785 0.760539 O\n0.737785 0.995694 0.010540 O\n0.737785 0.004306 0.489460 O\n0.739791 0.497107 0.502703 O\n0.262215 0.995694 0.989460 O\n",
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"formula_full": "Li4 Fe4 Si4 O16",
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"spacegroup": 95
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{
"id": "jvasp-22273",
"created_at": "2022-09-04T14:37:47.563287Z",
"updated_at": "2022-09-04T14:37:47.563308Z",
"structure_string": "Nd1 Fe4 P12\n1.0\n6.417704 0.000000 -2.269002\n-3.208852 5.557895 -2.269002\n-0.000000 -0.000000 6.807004\nNd Fe P\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 -0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.647832 0.496604 0.848772 P\n0.848772 0.352169 0.200941 P\n0.647832 0.799060 0.151228 P\n0.496604 0.848773 0.647832 P\n0.151228 0.647832 0.799059 P\n0.503396 0.151228 0.352168 P\n0.352169 0.503397 0.151228 P\n0.151228 0.352169 0.503396 P\n0.799059 0.151228 0.647831 P\n0.200941 0.848773 0.352169 P\n0.352168 0.200941 0.848772 P\n0.848772 0.647832 0.496604 P\n",
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{
"id": "jvasp-52538",
"created_at": "2022-09-04T14:38:08.582581Z",
"updated_at": "2022-09-04T14:38:08.582604Z",
"structure_string": "Li6 Fe2 S6\n1.0\n3.483996 5.626632 0.075345\n-3.483996 5.626632 -0.075345\n-1.217357 0.000000 6.166452\nLi Fe S\n6 2 6\ndirect\n0.435245 0.564755 0.684665 Li\n0.823082 0.823083 0.500000 Li\n0.176917 0.176917 0.500000 Li\n0.242839 0.242839 -0.000000 Li\n0.757161 0.757161 0.000000 Li\n0.564754 0.435245 0.315335 Li\n0.171223 0.828777 0.132200 Fe\n0.828776 0.171223 0.867800 Fe\n0.123193 0.876807 0.766303 S\n0.160120 0.513343 0.258392 S\n0.486657 0.839880 0.258392 S\n0.839879 0.486657 0.741608 S\n0.513343 0.160120 0.741608 S\n0.876807 0.123194 0.233696 S\n",
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],
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}
]
}