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{
"id": "jvasp-30262",
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"updated_at": "2022-09-04T14:38:20.270950Z",
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{
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{
"id": "jvasp-71678",
"created_at": "2022-09-04T14:35:55.991450Z",
"updated_at": "2022-09-04T14:35:55.991482Z",
"structure_string": "Be1 Cu2 Ni1\n1.0\n-1.741253 1.741253 3.536379\n1.741253 -1.741253 3.536379\n1.741253 1.741253 -3.536379\nBe Cu Ni\n1 2 1\ndirect\n0.749999 0.250000 0.499999 Be\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.250000 0.749999 0.499999 Ni\n",
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},
{
"id": "jvasp-92593",
"created_at": "2022-09-04T14:36:33.408393Z",
"updated_at": "2022-09-04T14:36:33.408407Z",
"structure_string": "Zn1 Ni3 N1\n1.0\n3.770791 0.000000 -0.000000\n0.000000 3.770791 0.000000\n0.000000 0.000000 3.770791\nZn Ni N\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 N\n",
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"spacegroup": 221
},
{
"id": "jvasp-10858",
"created_at": "2022-09-04T14:36:33.907024Z",
"updated_at": "2022-09-04T14:36:33.907046Z",
"structure_string": "Mn4 Zn1 O8\n1.0\n4.868917 -0.151051 3.453572\n1.702811 4.563947 3.453572\n-0.224946 -0.151051 5.965142\nMn Zn O\n4 1 8\ndirect\n0.500000 1.000000 0.500000 Mn\n0.999999 0.500001 0.500000 Mn\n0.500000 0.500000 -0.000001 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500001 0.499998 Zn\n0.758306 0.274388 0.758306 O\n0.241692 0.241694 0.725612 O\n0.241692 0.725614 0.241692 O\n0.725611 0.241694 0.241693 O\n0.267539 0.267540 0.267539 O\n0.732460 0.732462 0.732460 O\n0.274388 0.758308 0.758306 O\n0.758307 0.758308 0.274387 O\n",
"nsites": 13,
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{
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"created_at": "2022-09-04T14:36:39.611354Z",
"updated_at": "2022-09-04T14:36:39.611374Z",
"structure_string": "Nb6 B6 C2\n1.0\n3.144394 0.000000 0.000000\n0.000000 3.277465 -0.372690\n0.000000 -0.003363 14.567899\nNb B C\n6 6 2\ndirect\n0.250000 0.453246 0.906492 Nb\n0.749999 0.546754 0.093508 Nb\n0.250000 0.787309 0.574619 Nb\n0.749999 0.212690 0.425381 Nb\n0.749999 0.362085 0.724170 Nb\n0.250000 0.637914 0.275830 Nb\n0.250000 0.015426 0.030852 B\n0.749999 0.984573 0.969148 B\n0.250000 0.888401 0.776803 B\n0.749999 0.111598 0.223197 B\n0.250000 0.078841 0.157683 B\n0.749999 0.921158 0.842317 B\n0.250000 0.712163 0.424326 C\n0.749999 0.287836 0.575674 C\n",
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"volume": 150.12760026833377,
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{
"id": "jvasp-94965",
"created_at": "2022-09-04T14:36:09.351826Z",
"updated_at": "2022-09-04T14:36:09.351845Z",
"structure_string": "B6 Pb1\n1.0\n4.218369 0.000000 0.000000\n-0.000000 4.218369 -0.000000\n-0.000000 -0.000000 4.218369\nB Pb\n6 1\ndirect\n0.202912 0.500000 0.500000 B\n0.500000 0.500000 0.797089 B\n0.500000 0.500000 0.202912 B\n0.500000 0.202912 0.500000 B\n0.500000 0.797089 0.500000 B\n0.797089 0.500000 0.500000 B\n0.000000 0.000000 0.000000 Pb\n",
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"spacegroup": 221
},
{
"id": "jvasp-45927",
"created_at": "2022-09-04T14:38:09.289241Z",
"updated_at": "2022-09-04T14:38:09.289264Z",
"structure_string": "Li4 Mn1 Cr3 P4 O16\n1.0\n0.000000 4.733118 0.003197\n6.249272 0.000000 0.000000\n0.000000 -0.122726 -10.151600\nLi Mn Cr P O\n4 1 3 4 16\ndirect\n0.994202 0.253285 0.004575 Li\n0.994202 0.746714 0.004575 Li\n0.503149 0.747497 0.498301 Li\n0.503149 0.252502 0.498301 Li\n0.964896 0.500000 0.716535 Mn\n0.553893 0.500000 0.215130 Cr\n0.437514 0.000000 0.786568 Cr\n0.056254 0.000000 0.286227 Cr\n0.088079 0.500000 0.402798 P\n0.419270 0.500000 0.909506 P\n0.577371 0.000000 0.095243 P\n0.915141 0.000000 0.592890 P\n0.216317 0.699357 0.333479 O\n0.241864 0.000000 0.601594 O\n0.250647 0.000000 0.101972 O\n0.283504 0.303450 0.838026 O\n0.283504 0.696549 0.838026 O\n0.300201 0.500000 0.052270 O\n0.684651 0.000000 0.950458 O\n0.782566 0.201432 0.658044 O\n0.713019 0.199428 0.162430 O\n0.743809 0.500000 0.908373 O\n0.761025 0.500000 0.398691 O\n0.782566 0.798568 0.658044 O\n0.216317 0.300643 0.333479 O\n0.806984 0.000000 0.446767 O\n0.713019 0.800571 0.162430 O\n0.212880 0.500000 0.545265 O\n",
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"formula_full": "Li4 Mn1 Cr3 P4 O16",
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{
"id": "jvasp-52197",
"created_at": "2022-09-04T14:38:34.838986Z",
"updated_at": "2022-09-04T14:38:34.839007Z",
"structure_string": "Li4 Cu2 Si2 O8\n1.0\n3.628470 3.817638 0.000000\n-3.628470 3.817638 0.000000\n0.000000 0.000000 6.193350\nLi Cu Si O\n4 2 2 8\ndirect\n0.314012 0.685989 0.500000 Li\n0.183534 0.183534 0.750000 Li\n0.816466 0.816466 0.250000 Li\n0.685989 0.314012 0.000000 Li\n0.179565 0.179565 0.250000 Cu\n0.820436 0.820436 0.750000 Cu\n0.324620 0.675381 0.000000 Si\n0.675381 0.324620 0.500000 Si\n0.191028 0.798745 0.219249 O\n0.201255 0.808973 0.780751 O\n0.296234 0.363396 -0.001889 O\n0.636604 0.703767 0.001889 O\n0.703767 0.636604 0.498111 O\n0.363396 0.296234 0.501889 O\n0.808973 0.201255 0.719249 O\n0.798745 0.191028 0.280751 O\n",
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"formula_full": "Li4 Cu2 Si2 O8",
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{
"id": "jvasp-117451",
"created_at": "2022-09-04T14:38:26.489519Z",
"updated_at": "2022-09-04T14:38:26.489529Z",
"structure_string": "Ni6 O2 F10\n1.0\n5.229880 0.065591 1.625529\n1.254914 5.173113 1.692006\n-0.064059 0.044904 7.148404\nNi O F\n6 2 10\ndirect\n0.333260 0.356285 0.159730 Ni\n0.324988 0.333312 0.664721 Ni\n0.678980 0.685091 0.335695 Ni\n0.642101 0.668128 0.843824 Ni\n0.994731 0.991233 0.486914 Ni\n0.021494 0.975229 0.013123 Ni\n0.926534 0.879289 0.291034 O\n0.293060 0.687342 -0.016057 O\n0.623056 0.022530 0.648815 F\n0.583551 0.542040 0.634821 F\n0.263638 0.208020 0.964386 F\n0.739201 0.789659 0.034257 F\n0.371454 0.989960 0.347180 F\n0.077317 0.106497 0.707063 F\n0.023372 0.639745 0.681400 F\n0.963281 0.360725 0.321249 F\n0.419400 0.467616 0.366477 F\n0.720581 0.297289 0.015372 F\n",
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"formula_full": "Ni6 O2 F10",
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},
{
"id": "jvasp-50649",
"created_at": "2022-09-04T14:37:06.770271Z",
"updated_at": "2022-09-04T14:37:06.770292Z",
"structure_string": "Li4 Cu2 P2 O8\n1.0\n3.637737 3.818734 0.008012\n-3.637737 3.818734 -0.008012\n0.044606 0.000000 6.176060\nLi Cu P O\n4 2 2 8\ndirect\n0.314723 0.685276 0.750843 Li\n0.178129 0.178128 0.500000 Li\n0.821871 0.821870 0.500000 Li\n0.685276 0.314723 0.249157 Li\n0.183493 0.183493 -0.000000 Cu\n0.816506 0.816506 -0.000000 Cu\n0.327241 0.672758 0.261435 P\n0.672758 0.327241 0.738565 P\n0.217104 0.782895 0.045991 O\n0.196743 0.803256 0.461272 O\n0.619214 0.705747 0.267135 O\n0.294252 0.380785 0.267135 O\n0.380785 0.294252 0.732865 O\n0.705747 0.619214 0.732865 O\n0.803257 0.196742 0.538728 O\n0.782895 0.217104 0.954009 O\n",
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"formula_full": "Li4 Cu2 P2 O8",
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},
{
"id": "jvasp-29390",
"created_at": "2022-09-04T14:38:03.870427Z",
"updated_at": "2022-09-04T14:38:03.870454Z",
"structure_string": "Mg8 Si8 O24\n1.0\n4.979775 0.000000 -1.673245\n0.000000 8.924212 0.000000\n-0.571764 0.000000 9.845198\nMg Si O\n8 8 24\ndirect\n0.691859 0.843202 0.278647 Mg\n0.191858 0.656797 0.278647 Mg\n0.349599 0.510955 0.767143 Mg\n0.308143 0.156797 0.721353 Mg\n0.808143 0.343203 0.721353 Mg\n0.650403 0.489045 0.232857 Mg\n0.150403 0.010955 0.232857 Mg\n0.849599 0.989045 0.767143 Mg\n0.242723 0.834332 0.569455 Si\n0.757278 0.165667 0.430545 Si\n0.292302 0.211430 0.985917 Si\n0.207699 0.711430 0.014083 Si\n0.742724 0.665667 0.569455 Si\n0.792302 0.288569 0.985917 Si\n0.257278 0.334332 0.430545 Si\n0.707700 0.788569 0.014083 Si\n0.463789 0.685293 0.618716 O\n0.889705 0.769733 0.906916 O\n0.110297 0.230267 0.093084 O\n0.289379 0.830459 0.150530 O\n0.765825 0.947093 0.100213 O\n0.111780 0.842579 0.390886 O\n0.388221 0.342579 0.609114 O\n0.568947 0.027457 0.348364 O\n0.610297 0.269733 0.093084 O\n0.036213 0.185293 0.381285 O\n0.710622 0.169541 0.849470 O\n0.963789 0.814706 0.618715 O\n0.536213 0.314706 0.381284 O\n0.931055 0.527457 0.651635 O\n0.234177 0.052907 0.899787 O\n0.431054 0.972542 0.651636 O\n0.888221 0.157421 0.609114 O\n0.789380 0.669541 0.150530 O\n0.068947 0.472543 0.348365 O\n0.734177 0.447093 0.899786 O\n0.611781 0.657421 0.390886 O\n0.210622 0.330459 0.849470 O\n0.389704 0.730267 0.906916 O\n0.265824 0.552907 0.100214 O\n",
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}
]
}