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{
"id": "jvasp-86934",
"created_at": "2022-09-04T14:35:59.776561Z",
"updated_at": "2022-09-04T14:35:59.776590Z",
"structure_string": "Na2 La2 Ti2 O8\n1.0\n3.770092 -0.000000 -0.000000\n-0.000000 3.770092 0.000000\n-0.000000 0.000000 13.204648\nNa La Ti O\n2 2 2 8\ndirect\n0.250000 0.250000 0.583301 Na\n0.750000 0.750000 0.416699 Na\n0.750000 0.750000 0.109678 La\n0.250000 0.250000 0.890322 La\n0.250000 0.250000 0.276245 Ti\n0.750000 0.750000 0.723755 Ti\n0.750000 0.750000 0.929514 O\n0.250000 0.250000 0.070486 O\n0.750000 0.750000 0.590430 O\n0.250000 0.250000 0.409570 O\n0.750000 0.250000 0.239453 O\n0.250000 0.750000 0.239453 O\n0.750000 0.250000 0.760547 O\n0.250000 0.750000 0.760547 O\n",
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{
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"structure_string": "K2 La2 Si2 S8\n1.0\n6.297995 0.000000 -1.973285\n0.000000 6.583366 0.000000\n-0.026370 0.000000 8.620182\nK La Si S\n2 2 2 8\ndirect\n0.720928 0.250000 0.932350 K\n0.279073 0.750000 0.067651 K\n0.766869 0.250000 0.446376 La\n0.233132 0.750000 0.553624 La\n0.210397 0.250000 0.308830 Si\n0.789604 0.750000 0.691170 Si\n0.001035 0.496671 0.731465 S\n-0.001035 0.996671 0.268535 S\n-0.001035 0.503330 0.268535 S\n0.001035 0.003329 0.731465 S\n0.405810 0.250000 0.154819 S\n0.594191 0.750000 0.845181 S\n0.391481 0.250000 0.562687 S\n0.608519 0.750000 0.437314 S\n",
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],
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{
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"created_at": "2022-09-04T14:35:57.120589Z",
"updated_at": "2022-09-04T14:35:57.120610Z",
"structure_string": "Li2 Ti2 V2 O8\n1.0\n2.944516 -2.916476 4.162650\n-2.929076 2.931981 4.162650\n-2.929130 -2.941720 4.202485\nLi Ti V O\n2 2 2 8\ndirect\n0.500000 0.499999 0.500000 Li\n0.500000 0.499999 0.000000 Li\n-0.000000 -0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n-0.000001 0.500000 0.500000 V\n0.500000 -0.000000 0.000000 V\n0.240634 0.759354 0.473055 O\n0.757491 0.775471 0.983528 O\n0.240645 0.759365 0.026946 O\n0.224527 0.242508 0.516473 O\n0.775472 0.757491 0.483528 O\n0.759354 0.240633 0.973055 O\n0.242508 0.224527 0.016473 O\n0.759366 0.240645 0.526946 O\n",
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"elements": [
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"formula_full": "Li2 Ti2 V2 O8",
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{
"id": "jvasp-103726",
"created_at": "2022-09-04T14:36:43.140641Z",
"updated_at": "2022-09-04T14:36:43.140656Z",
"structure_string": "Ba1 La1 Fe1 O4\n1.0\n3.868557 0.225011 -6.375269\n-0.111687 3.873485 -6.375269\n-0.206256 -0.225011 7.454344\nBa La Fe O\n1 1 1 4\ndirect\n0.645196 0.645195 -0.000001 Ba\n0.357274 0.357273 -0.000001 La\n0.987571 0.987569 -0.000002 Fe\n0.838511 0.838510 -0.000001 O\n0.193309 0.193309 -0.000000 O\n0.489068 0.989067 0.499998 O\n0.989069 0.489068 0.499999 O\n",
"nsites": 7,
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"density": 6.4873282534064565,
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"formula_full": "Ba1 La1 Fe1 O4",
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{
"id": "jvasp-104980",
"created_at": "2022-09-04T14:36:58.976934Z",
"updated_at": "2022-09-04T14:36:58.976946Z",
"structure_string": "Hf1 Cr1 Cu1 S4\n1.0\n6.106691 0.025076 2.876719\n5.083413 3.383965 2.876719\n-0.000762 -0.000232 5.926536\nHf Cr Cu S\n1 1 1 4\ndirect\n0.245570 0.245572 0.745369 Hf\n0.756453 0.756458 0.262227 Cr\n0.498422 0.498425 0.480596 Cu\n0.375569 0.375571 0.277831 S\n0.619612 0.619616 0.701714 S\n0.871380 0.871385 0.812987 S\n0.132983 0.132984 0.219279 S\n",
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"formula_full": "Hf1 Cr1 Cu1 S4",
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{
"id": "jvasp-47815",
"created_at": "2022-09-04T14:36:43.087370Z",
"updated_at": "2022-09-04T14:36:43.087381Z",
"structure_string": "Li1 Fe1 Si1 O4\n1.0\n-0.000000 4.429907 -0.000000\n2.214953 -2.214954 4.308982\n4.429907 0.000000 -0.000000\nLi Fe Si O\n1 1 1 4\ndirect\n0.500000 0.000000 0.500000 Li\n0.750001 0.500000 0.750000 Fe\n0.000000 0.000000 0.000000 Si\n0.347748 0.217635 0.084518 O\n0.697848 0.782365 0.347748 O\n0.869887 0.217635 0.697847 O\n0.084519 0.782365 0.869886 O\n",
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"formula_full": "Li1 Fe1 Si1 O4",
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"spacegroup": 82
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{
"id": "jvasp-44445",
"created_at": "2022-09-04T14:36:54.870233Z",
"updated_at": "2022-09-04T14:36:54.870245Z",
"structure_string": "Li4 Nb4 Cr4 O16\n1.0\n6.133253 0.000079 0.000156\n-0.000072 6.133254 0.000076\n-0.000089 -0.000371 8.278648\nLi Nb Cr O\n4 4 4 16\ndirect\n0.760800 -0.000000 -0.000002 Li\n0.239196 -0.000001 0.500000 Li\n0.000000 0.239198 0.250002 Li\n0.000002 0.760803 0.750002 Li\n0.754892 0.245103 0.625000 Nb\n0.245112 0.245115 0.875001 Nb\n0.754892 0.754893 0.375000 Nb\n0.245106 0.754890 0.125001 Nb\n0.499999 0.751215 0.750000 Cr\n0.248784 0.500002 0.500000 Cr\n0.751215 0.499998 0.000001 Cr\n0.500002 0.248785 0.250001 Cr\n0.018304 0.739743 0.495073 O\n-0.018308 0.739740 0.004929 O\n0.512848 0.735087 0.994727 O\n0.487147 0.735087 0.505272 O\n0.264913 0.512849 0.744729 O\n0.735088 0.512849 0.755274 O\n0.264912 0.487157 0.255271 O\n0.260260 0.018311 0.245072 O\n0.487155 0.264910 0.494731 O\n0.512851 0.264914 0.005273 O\n0.018309 0.260260 0.504927 O\n-0.018306 0.260254 -0.004927 O\n0.739741 -0.018307 0.745073 O\n0.739743 0.018303 0.254927 O\n0.735085 0.487145 0.244728 O\n0.260255 -0.018306 0.754927 O\n",
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"formula_full": "Li4 Nb4 Cr4 O16",
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{
"id": "jvasp-50110",
"created_at": "2022-09-04T14:36:59.179077Z",
"updated_at": "2022-09-04T14:36:59.179086Z",
"structure_string": "Li4 Cu4 Te4 O16\n1.0\n6.147920 0.000000 0.000000\n0.000000 6.147920 -0.000000\n-0.000000 0.000000 8.630531\nLi Cu Te O\n4 4 4 16\ndirect\n0.000000 0.206175 0.000000 Li\n0.000000 0.793825 0.500000 Li\n0.206175 0.000000 0.250000 Li\n0.793825 0.000000 0.750000 Li\n0.248741 0.248741 0.625000 Cu\n0.248741 0.751259 0.875000 Cu\n0.751259 0.248741 0.375000 Cu\n0.751259 0.751259 0.125000 Cu\n0.776861 0.500000 0.750000 Te\n0.500000 0.776861 0.500000 Te\n0.500000 0.223139 0.000000 Te\n0.223139 0.500000 0.250000 Te\n0.736660 0.978346 0.502585 O\n0.736660 0.021654 0.997415 O\n0.733702 0.482777 0.984079 O\n0.733702 0.517223 0.515920 O\n0.517223 0.733702 0.734079 O\n0.517223 0.266298 0.765920 O\n0.482777 0.733702 0.265920 O\n0.021654 0.736660 0.252585 O\n0.266298 0.517223 0.484079 O\n0.266298 0.482777 0.015920 O\n0.263340 0.978346 0.497415 O\n0.263340 0.021654 0.002585 O\n0.978346 0.263340 0.752585 O\n0.021654 0.263340 0.247415 O\n0.482777 0.266298 0.234080 O\n0.978346 0.736660 0.747415 O\n",
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"formula_full": "Li4 Cu4 Te4 O16",
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{
"id": "jvasp-47897",
"created_at": "2022-09-04T14:36:50.849869Z",
"updated_at": "2022-09-04T14:36:50.849899Z",
"structure_string": "Li2 Co2 Si2 O8\n1.0\n2.620807 4.070036 0.000000\n-2.620807 4.070036 0.000000\n0.000000 0.000000 5.943863\nLi Co Si O\n2 2 2 8\ndirect\n0.332030 0.332030 0.750000 Li\n0.667971 0.667971 0.250000 Li\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.342170 0.342170 0.250000 Si\n0.657831 0.657831 0.750000 Si\n0.272721 0.771001 0.750000 O\n0.229000 0.727280 0.250000 O\n0.232300 0.232300 0.025157 O\n0.232300 0.232300 0.474842 O\n0.767701 0.767701 0.525157 O\n0.767701 0.767701 0.974842 O\n0.727280 0.229000 0.250000 O\n0.771001 0.272721 0.750000 O\n",
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"formula_full": "Li2 Co2 Si2 O8",
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{
"id": "jvasp-102679",
"created_at": "2022-09-04T14:36:52.559914Z",
"updated_at": "2022-09-04T14:36:52.559939Z",
"structure_string": "Sr1 Ce1 V1 O4\n1.0\n3.708763 0.058823 -5.751534\n-0.272392 3.699214 -5.751534\n-0.053788 -0.058823 6.843404\nSr Ce V O\n1 1 1 4\ndirect\n0.643760 0.643759 -0.000000 Sr\n0.356396 0.356396 -0.000000 Ce\n-0.002302 -0.002302 0.000000 V\n0.996610 0.496610 0.499999 O\n0.496610 0.996610 0.499999 O\n0.834749 0.834747 -0.000001 O\n0.174174 0.174173 -0.000000 O\n",
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},
{
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"created_at": "2022-09-04T14:36:45.537805Z",
"updated_at": "2022-09-04T14:36:45.537830Z",
"structure_string": "Li2 Co2 Ni2 O8\n1.0\n5.663432 -0.024818 0.008650\n0.085097 5.662847 0.008650\n2.786644 -2.846308 4.025991\nLi Co Ni O\n2 2 2 8\ndirect\n0.500000 -0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.500000 -0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Ni\n-0.000000 -0.000000 0.500000 Ni\n0.213949 0.763556 0.022495 O\n0.239547 0.229285 0.968835 O\n0.241060 0.236444 0.522494 O\n0.239551 0.791618 0.531165 O\n0.760449 0.208382 0.468835 O\n0.758940 0.763555 0.477505 O\n0.760453 0.770715 0.031165 O\n0.786050 0.236444 0.977505 O\n",
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"formula_full": "Li2 Co2 Ni2 O8",
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{
"id": "jvasp-11129",
"created_at": "2022-09-04T14:36:49.042566Z",
"updated_at": "2022-09-04T14:36:49.042599Z",
"structure_string": "K2 Pr2 Si2 Se8\n1.0\n0.000000 6.818563 0.001438\n6.997282 0.000000 0.000000\n0.000000 -2.753278 -8.476168\nK Pr Si Se\n2 2 2 8\ndirect\n0.766531 0.294274 0.065510 K\n0.233469 0.794274 0.934490 K\n0.729412 0.302787 0.552285 Pr\n0.270588 0.802787 0.447716 Pr\n0.714370 0.773456 0.312932 Si\n0.285630 0.273456 0.687068 Si\n0.527396 0.033359 0.737083 Se\n0.089219 0.271487 0.850337 Se\n0.910780 0.771487 0.149663 Se\n0.487548 0.542654 0.723367 Se\n0.512451 0.042654 0.276633 Se\n0.091533 0.229972 0.428020 Se\n0.908466 0.729972 0.571981 Se\n0.472603 0.533359 0.262918 Se\n",
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}
]
}