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{
"id": "jvasp-9123",
"created_at": "2022-09-04T14:37:29.485602Z",
"updated_at": "2022-09-04T14:37:29.485628Z",
"structure_string": "Tb6 O9\n1.0\n3.525911 0.000000 0.000000\n-1.762955 6.913566 -1.237760\n0.000000 0.014040 8.690921\nTb O\n6 9\ndirect\n0.033158 0.066318 0.812969 Tb\n0.966840 0.933683 0.187031 Tb\n0.309465 0.618931 0.862585 Tb\n0.690534 0.381069 0.137415 Tb\n0.364979 0.729959 0.512691 Tb\n0.635020 0.270041 0.487309 Tb\n0.500000 0.000000 0.000000 O\n0.528339 0.056679 0.656116 O\n0.471660 0.943321 0.343885 O\n0.205569 0.411138 0.624368 O\n0.794430 0.588863 0.375632 O\n0.174890 0.349781 0.970191 O\n0.128198 0.256398 0.283034 O\n0.871801 0.743603 0.716966 O\n0.825108 0.650220 0.029809 O\n",
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"structure_string": "Li2 Ca2 Mg2 Si2 N6\n1.0\n-5.533322 0.000000 0.676214\n-2.766661 -4.938711 0.338107\n0.014741 0.000000 6.008632\nLi Ca Mg Si N\n2 2 2 2 6\ndirect\n0.680378 0.000000 0.091204 Li\n0.319622 0.000000 0.908795 Li\n0.319664 0.360672 0.500000 Ca\n0.680335 0.639328 0.500000 Ca\n0.235530 0.528941 0.000000 Mg\n0.764470 0.471059 -0.000000 Mg\n0.130207 0.000000 0.320670 Si\n0.869792 0.000000 0.679329 Si\n0.807340 0.000000 0.389109 N\n0.192659 0.000000 0.610890 N\n0.607915 0.290725 0.810574 N\n0.898640 0.709275 0.810574 N\n0.392085 0.709275 0.189425 N\n0.101359 0.290725 0.189425 N\n",
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"formula_full": "Li2 Ca2 Mg2 Si2 N6",
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{
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"created_at": "2022-09-04T14:37:29.596608Z",
"updated_at": "2022-09-04T14:37:29.596628Z",
"structure_string": "Li2 Fe3 Cu1 O8\n1.0\n5.623485 -0.047739 0.056027\n-0.099590 5.789564 0.020273\n-2.720854 -2.798727 4.048390\nLi Fe Cu O\n2 3 1 8\ndirect\n-0.000000 0.499999 -0.000000 Li\n0.500001 0.499999 0.500000 Li\n0.000000 -0.000000 0.500000 Fe\n0.500001 0.000000 0.000000 Fe\n0.500001 -0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Cu\n0.241740 0.212081 0.970344 O\n0.720856 0.210677 0.959449 O\n0.251220 0.210614 0.489734 O\n0.739738 0.215415 0.475691 O\n0.260263 0.784583 0.524309 O\n0.748781 0.789385 0.510266 O\n0.279145 0.789322 0.040551 O\n0.758261 0.787918 0.029656 O\n",
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"formula_full": "Li2 Fe3 Cu1 O8",
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{
"id": "jvasp-58387",
"created_at": "2022-09-04T14:37:29.864711Z",
"updated_at": "2022-09-04T14:37:29.864739Z",
"structure_string": "Cu2 P2 O7\n1.0\n4.491952 -0.042742 -0.989758\n-1.361818 5.134697 -0.891747\n-0.027093 0.026444 5.386413\nCu P O\n2 2 7\ndirect\n0.500000 0.311550 0.688449 Cu\n0.500000 0.688451 0.311549 Cu\n0.908064 0.199255 0.199255 P\n0.091935 0.800745 0.800744 P\n0.272514 0.952255 0.642588 O\n0.727486 0.357411 0.047744 O\n0.727486 0.047745 0.357410 O\n0.272514 0.642589 0.952254 O\n0.000000 0.000000 0.000000 O\n0.779969 0.620486 0.620485 O\n0.220031 0.379514 0.379514 O\n",
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{
"id": "jvasp-56209",
"created_at": "2022-09-04T14:37:29.733561Z",
"updated_at": "2022-09-04T14:37:29.733581Z",
"structure_string": "P3 Cl15\n1.0\n8.099574 0.000000 0.000000\n-4.049787 6.335394 -4.060715\n0.000000 0.031775 8.753147\nP Cl\n3 15\ndirect\n0.267450 0.534901 0.781277 P\n0.732549 0.465097 0.218723 P\n0.500000 -0.000000 0.500000 P\n0.155305 0.709678 0.832988 Cl\n0.350496 0.080078 0.702376 Cl\n0.853138 0.706276 0.472197 Cl\n0.211972 0.423943 0.940841 Cl\n0.445627 0.290321 0.167013 Cl\n0.788027 0.576055 0.059159 Cl\n0.729582 0.080078 0.702376 Cl\n0.000000 0.000000 0.000000 Cl\n0.662155 0.324312 0.566845 Cl\n0.554372 0.709678 0.832988 Cl\n0.146861 0.293723 0.527803 Cl\n0.649503 0.919920 0.297624 Cl\n0.337843 0.675686 0.433155 Cl\n0.270416 0.919920 0.297624 Cl\n0.844694 0.290321 0.167013 Cl\n",
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"elements": [
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"volume": 450.20400141179744,
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{
"id": "jvasp-58381",
"created_at": "2022-09-04T14:37:29.857095Z",
"updated_at": "2022-09-04T14:37:29.857116Z",
"structure_string": "Co4 Mo8 S16\n1.0\n6.435621 -0.000017 0.000238\n-3.216943 -5.913155 -0.001404\n-3.216150 0.712452 -11.286849\nCo Mo S\n4 8 16\ndirect\n0.512418 0.807095 0.967739 Co\n0.762421 0.307099 0.467742 Co\n0.262444 0.307153 0.467739 Co\n0.012443 0.807149 0.967736 Co\n0.864500 0.250724 0.728433 Mo\n0.614651 0.750725 0.228433 Mo\n0.160242 0.363543 0.207053 Mo\n0.910363 0.863540 0.707053 Mo\n0.660339 0.363492 0.207061 Mo\n0.364670 0.250763 0.728427 Mo\n0.114511 0.750765 0.228426 Mo\n0.410225 0.863490 0.707061 Mo\n0.868576 0.151159 0.336015 S\n0.645728 0.975610 0.565860 S\n0.395753 0.475611 0.065861 S\n0.656324 0.463101 0.599467 S\n0.906297 0.963101 0.099467 S\n0.118541 0.651155 0.836015 S\n0.156295 0.463066 0.599491 S\n0.145771 0.975666 0.565833 S\n0.618582 0.651185 0.835997 S\n0.368544 0.151187 0.335998 S\n0.629108 0.138585 0.869658 S\n0.879127 0.638585 0.369658 S\n0.379122 0.638659 0.369621 S\n0.895739 0.475668 0.065833 S\n0.406317 0.963066 0.099491 S\n0.129149 0.138657 0.869622 S\n",
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{
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"created_at": "2022-09-04T14:37:29.988077Z",
"updated_at": "2022-09-04T14:37:29.988097Z",
"structure_string": "Ti2 V1 Se4\n1.0\n0.000000 3.556653 0.000000\n0.007827 0.000000 6.358451\n6.019676 -1.778327 -3.085447\nTi V Se\n2 1 4\ndirect\n0.253228 0.287515 0.506456 Ti\n0.746771 0.712485 0.493545 Ti\n0.000000 0.000000 0.000000 V\n0.112462 0.448489 0.224926 Se\n0.887537 0.551511 0.775076 Se\n0.369194 0.034347 0.738391 Se\n0.630805 0.965653 0.261610 Se\n",
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{
"id": "jvasp-47723",
"created_at": "2022-09-04T14:37:30.029527Z",
"updated_at": "2022-09-04T14:37:30.029546Z",
"structure_string": "Li2 V3 O6\n1.0\n5.128591 0.059259 0.036285\n0.820557 -4.294819 2.476929\n1.641115 -4.041389 -2.474478\nLi V O\n2 3 6\ndirect\n-0.000000 0.339862 0.330070 Li\n-0.000000 0.660138 0.669931 Li\n0.500000 0.684483 0.157759 V\n0.499999 -0.000001 0.500001 V\n0.499999 0.315516 0.842242 V\n0.267604 -0.000000 0.251699 O\n0.282383 0.345056 0.558899 O\n0.282383 0.654943 0.903956 O\n0.717617 0.345056 0.096046 O\n0.717616 0.654943 0.441102 O\n0.732394 -0.000001 0.748302 O\n",
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{
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"structure_string": "Y2 Re2 Si2 C1\n1.0\n0.000000 -3.995269 0.000000\n4.366733 -1.997635 -3.329377\n4.355413 -1.997635 3.624104\nY Re Si C\n2 2 2 1\ndirect\n0.427940 0.845087 0.299031 Y\n0.572058 0.154914 0.700967 Y\n0.793231 0.321134 0.092403 Re\n0.206767 0.678866 0.907596 Re\n0.857432 0.603464 0.681669 Si\n0.142566 0.396536 0.318329 Si\n0.000000 0.000000 0.000000 C\n",
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{
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"created_at": "2022-09-04T14:37:30.174447Z",
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"structure_string": "Ba2 C2 O6\n1.0\n4.290747 -0.085046 1.531346\n1.069877 4.156092 1.531346\n-0.173258 -0.131578 8.777105\nBa C O\n2 2 6\ndirect\n0.500001 0.499999 0.250001 Ba\n0.500001 0.499999 0.750001 Ba\n0.044032 0.044032 0.517374 C\n0.955969 0.955966 0.982628 C\n0.085342 0.662812 0.050159 O\n0.662813 0.085341 0.050159 O\n0.111981 0.111980 0.848467 O\n0.337188 0.914658 0.449842 O\n0.914660 0.337186 0.449842 O\n0.888021 0.888018 0.651535 O\n",
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{
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"created_at": "2022-09-04T14:37:30.115888Z",
"updated_at": "2022-09-04T14:37:30.115925Z",
"structure_string": "Li4 Ca2 Mg1 Si2 N6\n1.0\n-0.022028 0.000000 -5.621906\n-2.930408 -4.903149 0.241172\n-2.930408 4.903149 0.241172\nLi Ca Mg Si N\n4 2 1 2 6\ndirect\n0.625653 0.988358 0.332416 Li\n0.625653 0.332416 0.988358 Li\n0.374349 0.011643 0.667585 Li\n0.374349 0.667585 0.011643 Li\n0.000000 0.322235 0.677765 Ca\n0.000000 0.677765 0.322235 Ca\n0.000000 0.000000 0.000000 Mg\n0.367998 0.319813 0.319813 Si\n0.632003 0.680188 0.680188 Si\n0.311345 0.623190 0.623190 N\n0.688656 0.376811 0.376811 N\n0.253009 0.031066 0.320787 N\n0.253009 0.320787 0.031066 N\n0.746992 0.968935 0.679214 N\n0.746992 0.679214 0.968935 N\n",
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"formula_full": "Li4 Ca2 Mg1 Si2 N6",
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{
"id": "jvasp-55007",
"created_at": "2022-09-04T14:37:30.175819Z",
"updated_at": "2022-09-04T14:37:30.175839Z",
"structure_string": "Ce2 Al2 Co2\n1.0\n4.122697 -0.000000 -1.638231\n-0.462921 4.576899 -1.164964\n-0.020059 -0.055601 5.956130\nCe Al Co\n2 2 2\ndirect\n0.868654 0.670093 0.737308 Ce\n0.131347 0.329908 0.262693 Ce\n0.586036 0.815541 0.172071 Al\n0.413965 0.184460 0.827931 Al\n0.189491 0.840623 0.378984 Co\n0.810509 0.159377 0.621017 Co\n",
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}
]
}