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{
"id": "jvasp-94297",
"created_at": "2022-09-04T14:35:48.923163Z",
"updated_at": "2022-09-04T14:35:48.923197Z",
"structure_string": "Ba2 Ag4\n1.0\n-4.888085 0.000000 0.000000\n-2.444043 -4.303734 4.234786\n-2.444043 4.303734 4.234786\nBa Ag\n2 4\ndirect\n0.000017 0.249982 0.749982 Ba\n0.999981 0.750019 0.250019 Ba\n0.333369 0.666588 0.666673 Ag\n0.666629 0.333413 0.333328 Ag\n0.666628 0.833329 0.833414 Ag\n0.333370 0.166672 0.166587 Ag\n",
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{
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"structure_string": "La8 P16\n1.0\n7.828010 -0.000546 -4.167373\n-2.280652 7.539599 -4.227931\n0.005508 -0.001698 9.417595\nLa P\n8 16\ndirect\n0.421658 0.225562 0.045791 La\n0.836182 0.983494 0.414258 La\n0.421925 0.069236 0.585742 La\n0.058219 0.056547 0.115824 La\n0.942395 0.440722 0.884176 La\n0.610744 0.668313 0.576828 La\n0.033916 0.591486 0.423172 La\n0.375867 0.679771 0.954209 La\n0.649302 0.604722 0.240162 P\n0.409140 0.864560 0.759838 P\n0.063534 0.805074 0.257470 P\n0.806064 0.047604 0.742530 P\n0.182910 0.278754 0.731142 P\n0.997302 0.696146 0.765678 P\n0.231624 0.430468 0.234322 P\n0.674081 0.918799 0.008975 P\n0.665107 0.409824 0.991025 P\n0.556615 0.466912 0.758425 P\n0.798190 0.208487 0.241574 P\n0.679739 0.284542 0.434315 P\n0.245424 0.350228 0.565685 P\n0.451767 0.047611 0.268857 P\n0.282106 0.681820 0.245311 P\n0.036795 0.936509 0.754689 P\n",
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{
"id": "jvasp-86049",
"created_at": "2022-09-04T14:35:55.416327Z",
"updated_at": "2022-09-04T14:35:55.416350Z",
"structure_string": "Rh4 N8\n1.0\n4.648226 0.000000 -1.541843\n0.000000 4.890577 0.000000\n0.009783 0.000000 4.917031\nRh N\n4 8\ndirect\n0.239405 0.999472 0.231032 Rh\n0.239405 0.500529 0.731032 Rh\n0.760595 0.499472 0.268968 Rh\n0.760595 0.000529 0.768968 Rh\n0.190019 0.587934 0.302218 N\n0.316286 0.084610 0.672041 N\n0.683714 0.915391 0.327960 N\n0.190018 0.912067 0.802218 N\n0.809982 0.087934 0.197783 N\n0.809981 0.412067 0.697783 N\n0.683714 0.584610 0.827960 N\n0.316286 0.415391 0.172041 N\n",
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"elements": [
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"chemical_system": "N-Rh",
"density": 7.77453866996786,
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{
"id": "jvasp-86784",
"created_at": "2022-09-04T14:35:58.916372Z",
"updated_at": "2022-09-04T14:35:58.916396Z",
"structure_string": "Ag8 Se4\n1.0\n4.550779 0.000000 0.000000\n0.000000 7.085736 0.000000\n0.000000 0.000000 7.543539\nAg Se\n8 4\ndirect\n0.007591 0.231252 0.876522 Ag\n0.697952 0.878446 0.948006 Ag\n0.492409 0.768749 0.376522 Ag\n0.197952 0.621555 0.051994 Ag\n0.802049 0.121554 0.448006 Ag\n0.992409 0.731252 0.623478 Ag\n0.302049 0.378446 0.551994 Ag\n0.507591 0.268748 0.123478 Ag\n0.878966 0.492906 0.329166 Se\n0.121034 0.992906 0.170834 Se\n0.378966 0.007095 0.670834 Se\n0.621034 0.507095 0.829166 Se\n",
"nsites": 12,
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"elements": [
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"density": 8.047075326670086,
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"formula_full": "Ag8 Se4",
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{
"id": "jvasp-587",
"created_at": "2022-09-04T14:35:54.732904Z",
"updated_at": "2022-09-04T14:35:54.732925Z",
"structure_string": "Nb1 Te2\n1.0\n1.858661 -3.219312 0.000043\n1.858661 3.219312 -0.000043\n0.000000 -0.000109 6.910533\nNb Te\n1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.333329 0.666670 0.265444 Te\n0.666671 0.333329 0.734555 Te\n",
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{
"id": "jvasp-1297",
"created_at": "2022-09-04T14:35:53.575197Z",
"updated_at": "2022-09-04T14:35:53.575222Z",
"structure_string": "Na2 Se1\n1.0\n4.159084 0.000000 2.401248\n1.386361 3.921222 2.401248\n0.000000 0.000000 4.802497\nNa Se\n2 1\ndirect\n0.749999 0.750000 0.750002 Na\n0.250000 0.250000 0.250001 Na\n0.000000 0.000000 0.000000 Se\n",
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{
"id": "jvasp-28374",
"created_at": "2022-09-04T14:35:52.395818Z",
"updated_at": "2022-09-04T14:35:52.395855Z",
"structure_string": "C2 N4\n1.0\n2.365102 0.000000 0.000000\n-1.182551 2.048240 0.000005\n0.000000 0.000059 9.477970\nC N\n2 4\ndirect\n0.000003 0.000006 0.916460 C\n-0.000003 -0.000006 0.083540 C\n0.666667 0.333334 0.463439 N\n0.333333 0.666667 0.536561 N\n0.666667 0.333335 0.863628 N\n0.333333 0.666666 0.136371 N\n",
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"elements": [
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{
"id": "jvasp-85831",
"created_at": "2022-09-04T14:36:02.321659Z",
"updated_at": "2022-09-04T14:36:02.321686Z",
"structure_string": "Zr4 Mn8\n1.0\n4.910101 -0.000000 0.000000\n-2.455051 4.252273 0.000000\n0.000000 0.000000 8.201530\nZr Mn\n4 8\ndirect\n0.333333 0.666666 0.063575 Zr\n0.666667 0.333333 0.563575 Zr\n0.666667 0.333333 0.936425 Zr\n0.333333 0.666666 0.436425 Zr\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.169890 0.339779 0.750000 Mn\n0.830110 0.169890 0.250000 Mn\n0.830110 0.660220 0.250000 Mn\n0.169890 0.830109 0.750000 Mn\n0.660221 0.830109 0.750000 Mn\n0.339779 0.169890 0.250000 Mn\n",
"nsites": 12,
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"density": 7.800364757743073,
"density_atomic": 0.07007688743456893,
"volume": 171.24048226606024,
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{
"id": "jvasp-98532",
"created_at": "2022-09-04T14:35:48.921659Z",
"updated_at": "2022-09-04T14:35:48.921682Z",
"structure_string": "Si24 O48\n1.0\n7.825457 -0.000000 2.664989\n2.589076 11.837656 5.219259\n-0.126374 -0.075677 13.192892\nSi O\n24 48\ndirect\n0.752266 0.623100 0.494138 Si\n0.866176 0.378432 0.269887 Si\n0.485507 0.769887 0.878431 Si\n0.698033 0.235498 0.735497 Si\n0.752266 0.994138 0.123099 Si\n0.130498 0.994138 0.123099 Si\n0.060662 0.377869 0.877869 Si\n0.485507 0.378432 0.269887 Si\n0.133825 0.230113 0.121568 Si\n0.869504 0.376901 0.505862 Si\n0.316399 0.622131 0.122131 Si\n0.866176 0.769887 0.878431 Si\n0.869504 0.005862 0.876900 Si\n0.669028 0.764503 0.264502 Si\n0.133825 0.621568 0.730113 Si\n0.514494 0.621568 0.730113 Si\n0.939340 0.622131 0.122131 Si\n0.330973 0.235498 0.735497 Si\n0.130498 0.623100 0.494138 Si\n0.247735 0.005862 0.876900 Si\n0.683602 0.377869 0.877869 Si\n0.301968 0.764503 0.264502 Si\n0.514494 0.230113 0.121568 Si\n0.247735 0.376901 0.505862 Si\n0.666307 0.640796 0.615879 O\n0.228635 0.900035 0.220286 O\n0.145278 0.297846 0.797846 O\n0.044241 0.368935 0.542585 O\n0.261084 0.000000 -0.000000 O\n0.738917 0.000000 -0.000000 O\n0.848914 0.401087 0.901087 O\n0.876042 0.682516 0.004207 O\n0.240970 0.702154 0.202154 O\n0.738917 0.500000 0.500000 O\n0.123959 0.317484 0.995793 O\n0.331951 0.198060 0.138038 O\n0.044241 0.042585 0.868934 O\n0.485712 0.264288 0.764288 O\n0.922982 0.359204 0.384121 O\n0.666306 0.115879 0.140796 O\n0.077019 0.115879 0.140796 O\n0.000001 0.714321 0.785679 O\n0.854723 0.702154 0.202154 O\n0.437236 0.682516 0.004207 O\n0.651045 0.900035 0.220286 O\n0.331952 0.638038 0.698060 O\n0.261084 0.500000 0.500000 O\n0.668050 0.801940 0.861961 O\n0.651045 0.720286 0.400035 O\n0.771366 0.279714 0.599965 O\n0.228635 0.720286 0.400035 O\n0.500000 0.285679 0.214321 O\n0.077020 0.640796 0.615879 O\n0.514289 0.735712 0.235711 O\n0.151088 0.598913 0.098913 O\n0.876042 0.504207 0.182516 O\n0.348957 0.099965 0.779714 O\n0.668050 0.361962 0.301940 O\n0.333695 0.359204 0.384121 O\n0.123959 0.495793 0.817484 O\n0.437236 0.504207 0.182516 O\n0.955761 0.631066 0.457414 O\n0.348957 0.279714 0.599965 O\n0.333695 0.884121 0.859203 O\n0.955761 0.957415 0.131065 O\n0.771366 0.099965 0.779714 O\n0.500001 0.714321 0.785679 O\n0.000000 0.285679 0.214321 O\n0.922982 0.884121 0.859203 O\n0.562765 0.495793 0.817484 O\n0.759032 0.297846 0.797846 O\n0.562765 0.317484 0.995793 O\n",
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{
"id": "jvasp-92307",
"created_at": "2022-09-04T14:35:49.017655Z",
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"structure_string": "Ga2 Cu4\n1.0\n-4.227599 -0.000000 0.000000\n-2.113800 -2.586982 3.664974\n-2.113800 2.586982 3.664974\nGa Cu\n2 4\ndirect\n0.499964 0.750036 0.250036 Ga\n0.500037 0.249963 0.749963 Ga\n0.166572 0.333432 0.333423 Cu\n0.833429 0.666567 0.666576 Cu\n0.833429 0.166577 0.166567 Cu\n0.166573 0.833422 0.833431 Cu\n",
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{
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"structure_string": "Mg4 Ge2\n1.0\n4.922672 -0.000000 2.842106\n1.640891 4.641140 2.842106\n0.000000 0.000000 5.684213\nMg Ge\n4 2\ndirect\n0.500000 -0.000000 0.500000 Mg\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500001 Mg\n0.500000 0.500000 0.000001 Mg\n0.125000 0.125000 0.125000 Ge\n0.874999 0.875000 0.875001 Ge\n",
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{
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"structure_string": "Ca2 Pt4\n1.0\n4.713894 -0.000000 2.721569\n1.571298 4.444302 2.721569\n-0.000000 -0.000000 5.443136\nCa Pt\n2 4\ndirect\n0.625000 0.625000 0.625001 Ca\n0.375000 0.375000 0.375001 Ca\n0.500000 0.000000 0.000000 Pt\n0.000000 0.500000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n",
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]
}