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{
"id": "jvasp-35514",
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"structure_string": "Fe1 Ni2 Se4\n1.0\n-0.000000 3.606763 0.000000\n0.034224 0.000000 6.187682\n5.212970 -1.803381 -2.924341\nFe Ni Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Fe\n0.263404 0.289641 0.526808 Ni\n0.736595 0.710359 0.473191 Ni\n0.114344 0.448427 0.228687 Se\n0.885655 0.551572 0.771312 Se\n0.369085 0.026635 0.738171 Se\n0.630914 0.973365 0.261828 Se\n",
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{
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"structure_string": "Te4 Rh3\n1.0\n0.000000 -4.025955 -0.000000\n-5.683419 2.012978 3.209277\n-0.018538 -0.000000 -6.905381\nTe Rh\n4 3\ndirect\n0.879921 0.759841 0.544642 Te\n0.120080 0.240160 0.455357 Te\n0.633880 0.267760 0.978413 Te\n0.366121 0.732241 0.021587 Te\n0.736604 0.473208 0.719378 Rh\n0.263397 0.526792 0.280622 Rh\n0.000000 0.000000 0.000000 Rh\n",
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{
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"structure_string": "Sm4 Ge4 Ru2\n1.0\n4.201282 0.000000 0.995420\n2.038839 5.499623 0.758552\n-0.009629 -0.024593 9.404344\nSm Ge Ru\n4 4 2\ndirect\n0.315666 0.258596 0.110070 Sm\n0.684333 0.741404 0.889929 Sm\n0.497263 0.331651 0.673822 Sm\n0.502736 0.668349 0.326177 Sm\n0.009581 0.854794 0.126043 Ge\n0.990418 0.145206 0.873956 Ge\n0.849683 0.733272 0.567363 Ge\n0.150317 0.266728 0.432637 Ge\n0.225178 0.923575 0.626067 Ru\n0.774821 0.076425 0.373932 Ru\n",
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{
"id": "jvasp-56635",
"created_at": "2022-09-04T14:37:36.050463Z",
"updated_at": "2022-09-04T14:37:36.050484Z",
"structure_string": "Na1 Fe1 Se2 O8\n1.0\n4.968414 -0.039948 0.160245\n1.918548 4.583221 0.160245\n-0.018049 -0.011907 7.047957\nNa Fe Se O\n1 1 2 8\ndirect\n0.000000 -0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Fe\n0.365592 0.365591 0.769963 Se\n0.634408 0.634407 0.230039 Se\n0.763067 0.267512 0.210722 O\n0.284398 0.284397 0.562280 O\n0.236933 0.732487 0.789280 O\n0.267513 0.763067 0.210722 O\n0.763079 0.763078 0.039044 O\n0.732487 0.236932 0.789280 O\n0.236921 0.236920 0.960958 O\n0.715602 0.715601 0.437722 O\n",
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],
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"formula_full": "Na1 Fe1 Se2 O8",
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{
"id": "jvasp-35367",
"created_at": "2022-09-04T14:37:36.134142Z",
"updated_at": "2022-09-04T14:37:36.134167Z",
"structure_string": "Cr2 Ni1 Se4\n1.0\n0.000000 3.612313 0.000000\n0.040679 0.000000 6.276854\n5.613444 -1.806156 -2.998882\nCr Ni Se\n2 1 4\ndirect\n0.259138 0.279524 0.518279 Cr\n0.740860 0.720475 0.481720 Cr\n0.000000 0.000000 0.000000 Ni\n0.116975 0.450362 0.233950 Se\n0.883023 0.549638 0.766049 Se\n0.368060 0.026320 0.736122 Se\n0.631938 0.973679 0.263877 Se\n",
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{
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"created_at": "2022-09-04T14:37:36.421051Z",
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"structure_string": "Mo2 Cl6\n1.0\n5.650047 0.038249 -0.923992\n-2.667817 4.980688 -0.923992\n0.031422 0.052883 6.340648\nMo Cl\n2 6\ndirect\n0.133397 0.866603 0.000000 Mo\n0.866603 0.133398 0.000000 Mo\n0.254874 0.254874 0.281278 Cl\n0.745126 0.745126 0.718723 Cl\n0.092055 0.432442 0.780162 Cl\n0.567557 0.907944 0.219838 Cl\n0.907944 0.567558 0.219838 Cl\n0.432442 0.092056 0.780163 Cl\n",
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{
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"created_at": "2022-09-04T14:37:36.389076Z",
"updated_at": "2022-09-04T14:37:36.389101Z",
"structure_string": "Er4 Fe2 Si4\n1.0\n4.004926 0.000000 0.949573\n1.943987 5.178133 0.721413\n0.007040 -0.055933 8.890700\nEr Fe Si\n4 2 4\ndirect\n0.188312 0.731195 0.892182 Er\n0.811690 0.268805 0.107817 Er\n0.998822 0.330532 0.671826 Er\n0.001180 0.669468 0.328173 Er\n0.728381 0.918569 0.624671 Fe\n0.271620 0.081431 0.375328 Fe\n0.497583 0.131782 0.873051 Si\n0.502418 0.868218 0.126948 Si\n0.345835 0.743596 0.564736 Si\n0.654167 0.256404 0.435263 Si\n",
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"formula_full": "Er4 Fe2 Si4",
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{
"id": "jvasp-22216",
"created_at": "2022-09-04T14:37:36.404704Z",
"updated_at": "2022-09-04T14:37:36.404729Z",
"structure_string": "Na4 U2 S6\n1.0\n6.791484 0.001361 -1.151240\n-3.685708 5.704367 -1.151240\n0.011571 0.021259 6.967761\nNa U S\n4 2 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.840640 0.159359 0.500000 Na\n0.159359 0.840641 0.500000 Na\n0.667184 0.332815 -0.000000 U\n0.332815 0.667185 0.000000 U\n0.724340 0.724341 0.230587 S\n0.922848 0.569220 0.769914 S\n0.569219 0.922849 0.769915 S\n0.275659 0.275660 0.769412 S\n0.077151 0.430781 0.230085 S\n0.430780 0.077151 0.230085 S\n",
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"density": 4.671315025546719,
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"formula_full": "Na4 U2 S6",
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{
"id": "jvasp-24818",
"created_at": "2022-09-04T14:37:37.005292Z",
"updated_at": "2022-09-04T14:37:37.005324Z",
"structure_string": "Ca4 Fe2 N4\n1.0\n4.586752 0.000000 1.843389\n1.650054 5.107855 2.522420\n0.047605 0.065926 6.509661\nCa Fe N\n4 2 4\ndirect\n0.680802 0.245513 0.392883 Ca\n0.319197 0.754488 0.607117 Ca\n0.037939 0.697606 0.226515 Ca\n0.962060 0.302395 0.773485 Ca\n0.373058 0.125600 0.128284 Fe\n0.626941 0.874402 0.871715 Fe\n0.190561 0.239026 0.379853 N\n0.809438 0.760976 0.620147 N\n0.480599 0.237749 0.801054 N\n0.519400 0.762253 0.198946 N\n",
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{
"id": "jvasp-52766",
"created_at": "2022-09-04T14:37:36.923628Z",
"updated_at": "2022-09-04T14:37:36.923649Z",
"structure_string": "Li1 Mn3 Al2 H6 O12\n1.0\n5.030389 -0.037320 0.010987\n-2.482786 4.375112 0.010761\n-0.869362 -1.479678 9.465502\nLi Mn Al H O\n1 3 2 6 12\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.666599 0.333401 0.000000 Mn\n0.333400 0.666599 0.000000 Mn\n0.166668 0.833332 0.500000 Al\n0.833332 0.166667 0.500000 Al\n0.569583 0.917417 0.708940 H\n0.917422 0.569584 0.708941 H\n0.221830 0.221829 0.708930 H\n0.430416 0.082582 0.291060 H\n0.778170 0.778170 0.291070 H\n0.082577 0.430415 0.291059 H\n0.299047 0.299046 0.897397 O\n0.823732 0.823731 0.394981 O\n0.700952 0.700953 0.102603 O\n0.465032 0.106321 0.394972 O\n0.367495 0.034040 0.102584 O\n0.106319 0.465031 0.394973 O\n0.034039 0.367495 0.102584 O\n0.965961 0.632504 0.897416 O\n0.893680 0.534968 0.605027 O\n0.632504 0.965959 0.897416 O\n0.534967 0.893678 0.605028 O\n0.176268 0.176268 0.605019 O\n",
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{
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"structure_string": "K4 Sc4 F16\n1.0\n4.105280 -0.000000 0.000000\n-2.052639 7.364701 -2.402229\n0.000000 0.033488 13.386592\nK Sc F\n4 4 16\ndirect\n0.633383 0.266767 0.363761 K\n0.366617 0.733233 0.636239 K\n0.244183 0.488365 0.135877 K\n0.755817 0.511635 0.864122 K\n0.972374 0.944749 0.139592 Sc\n0.876933 0.753868 0.386532 Sc\n0.123067 0.246132 0.613467 Sc\n0.027626 0.055251 0.860408 Sc\n0.162468 0.324935 0.929261 F\n0.837532 0.675065 0.070738 F\n0.179898 0.359796 0.501406 F\n0.820102 0.640204 0.498594 F\n0.000000 0.000000 0.500000 F\n0.895762 0.791524 0.782461 F\n0.104237 0.208476 0.217539 F\n0.763537 0.527075 0.268005 F\n0.236463 0.472925 0.731995 F\n0.470252 0.940504 0.143907 F\n0.529748 0.059496 0.856093 F\n0.954821 0.909641 0.284834 F\n0.045179 0.090359 0.715166 F\n0.000000 0.000000 0.000000 F\n0.380567 0.761135 0.382485 F\n0.619433 0.238865 0.617515 F\n",
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{
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"structure_string": "Bi4 Rh6 S4\n1.0\n-5.760412 -4.202713 0.049359\n5.760412 -4.202713 -0.049359\n0.152514 4.202713 5.858216\nBi Rh S\n4 6 4\ndirect\n0.252853 0.994286 0.247138 Bi\n0.748651 0.497883 0.246533 Bi\n0.251350 0.502117 0.753468 Bi\n0.747148 0.005714 0.752863 Bi\n-0.000000 0.499999 -0.000000 Rh\n0.246251 0.246251 -0.000000 Rh\n0.753748 0.753748 -0.000000 Rh\n0.500000 0.000001 0.000000 Rh\n0.004317 0.243582 0.247897 Rh\n-0.004315 0.756418 0.752103 Rh\n0.304210 0.548313 0.308082 S\n0.759769 0.003872 0.308082 S\n0.695790 0.451688 0.691918 S\n0.240231 0.996129 0.691919 S\n",
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}
]
}