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{
"id": "jvasp-49239",
"created_at": "2022-09-04T14:37:53.569505Z",
"updated_at": "2022-09-04T14:37:53.569539Z",
"structure_string": "Ce1 Sc3 B4 O12\n1.0\n6.117905 -0.018740 -1.456156\n-1.839273 5.834911 -1.456156\n-0.013786 -0.018740 6.288797\nCe Sc B O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Ce\n-0.000000 0.451758 0.548242 Sc\n0.548242 -0.000000 0.451758 Sc\n0.451759 0.548241 -0.000001 Sc\n0.500000 0.500000 0.500000 B\n0.500000 0.049816 0.950184 B\n0.950184 0.500000 0.049816 B\n0.049817 0.950183 0.500000 B\n0.500000 0.640249 0.359750 O\n0.359750 0.500000 0.640249 O\n0.640250 0.359750 0.500000 O\n0.627373 0.030729 0.799170 O\n0.030729 0.799170 0.627373 O\n0.969272 0.372627 0.200829 O\n0.200830 0.969271 0.372626 O\n0.372627 0.200830 0.969271 O\n0.500001 0.909741 0.090258 O\n0.090258 0.500000 0.909742 O\n0.909742 0.090258 0.500000 O\n0.799171 0.627373 0.030728 O\n",
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{
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"structure_string": "Na4 Cu1 As2 O8\n1.0\n4.890821 -0.037114 -0.049311\n-1.673761 5.583195 -0.816341\n0.021809 0.073640 6.969226\nNa Cu As O\n4 1 2 8\ndirect\n0.284253 0.566834 0.168353 Na\n0.715748 0.433167 0.831648 Na\n0.156291 0.252560 0.583071 Na\n0.843710 0.747441 0.416930 Na\n0.000000 0.000000 0.000000 Cu\n0.402808 0.803825 0.732395 As\n0.597192 0.196176 0.267606 As\n0.686349 0.271790 0.509728 O\n0.225259 0.144061 0.244938 O\n0.236987 0.560442 0.844554 O\n0.774742 0.855940 0.755063 O\n0.763014 0.439559 0.155448 O\n0.671454 0.935441 0.164441 O\n0.328547 0.064561 0.835560 O\n0.313652 0.728212 0.490274 O\n",
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"formula_full": "Na4 Cu1 As2 O8",
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{
"id": "jvasp-36735",
"created_at": "2022-09-04T14:38:00.297274Z",
"updated_at": "2022-09-04T14:38:00.297284Z",
"structure_string": "Rb2 Sr2 Si2 H2 O8\n1.0\n0.000000 5.813139 -0.039090\n7.840167 0.000000 0.000000\n0.000000 -2.868135 -5.106850\nRb Sr Si H O\n2 2 2 2 8\ndirect\n0.359128 0.231445 0.718891 Rb\n0.640871 0.731445 0.281109 Rb\n0.010241 0.486746 0.006376 Sr\n0.989759 0.986746 0.993624 Sr\n0.687779 0.245461 0.374870 Si\n0.312220 0.745461 0.625130 Si\n0.507023 0.004609 0.461548 H\n0.492977 0.504609 0.538452 H\n0.853380 0.237713 0.214855 O\n0.146619 0.737713 0.785145 O\n0.876210 0.240896 0.692914 O\n0.123790 0.740896 0.307087 O\n0.474601 0.403032 0.286840 O\n0.525399 0.903032 0.713160 O\n0.489675 0.067100 0.299940 O\n0.510324 0.567100 0.700060 O\n",
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"density": 3.7837848092523254,
"density_atomic": 0.06848473675741251,
"volume": 233.62869973020995,
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"formula_full": "Rb2 Sr2 Si2 H2 O8",
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"formula_anonymous": "ABCDE4",
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"spacegroup": 4
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{
"id": "jvasp-12817",
"created_at": "2022-09-04T14:38:29.526568Z",
"updated_at": "2022-09-04T14:38:29.526580Z",
"structure_string": "Al4 Cu2 O7\n1.0\n5.191044 0.000000 2.997050\n1.730348 4.894163 2.997050\n0.000000 0.000000 5.994101\nAl Cu O\n4 2 7\ndirect\n0.620112 0.139660 0.620113 Al\n0.139661 0.620112 0.620113 Al\n0.620113 0.620112 0.139661 Al\n0.620113 0.620112 0.620113 Al\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Cu\n0.750000 0.750000 0.750000 O\n0.740205 0.259795 0.740205 O\n0.259795 0.740205 0.259795 O\n0.259795 0.740205 0.740205 O\n0.740205 0.740205 0.259795 O\n0.259795 0.259795 0.740205 O\n0.740205 0.259795 0.259795 O\n",
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"volume": 152.28502395153805,
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"formula_full": "Al4 Cu2 O7",
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"formula_anonymous": "A2B4C7",
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{
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"created_at": "2022-09-04T14:37:52.663568Z",
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"structure_string": "Mo3 Se2 S4\n1.0\n3.233971 0.000000 0.000000\n-1.616986 2.800692 0.000000\n0.000000 0.000000 27.810045\nMo Se S\n3 2 4\ndirect\n0.333324 0.666652 0.115606 Mo\n0.333324 0.666652 0.578359 Mo\n0.666660 0.333323 0.346982 Mo\n0.333328 0.666661 0.408356 Se\n0.333328 0.666661 0.285609 Se\n0.666665 0.333329 0.059806 S\n0.666648 0.333296 0.522485 S\n0.666648 0.333296 0.171480 S\n0.666665 0.333329 0.634157 S\n",
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],
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"volume": 251.88549762864076,
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"formula_full": "Mo3 Se2 S4",
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{
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"created_at": "2022-09-04T14:37:50.994418Z",
"updated_at": "2022-09-04T14:37:50.994435Z",
"structure_string": "Li4 Fe2 O4 F2\n1.0\n2.598768 4.300299 -0.018663\n-2.598768 4.300299 0.018663\n-2.024105 0.000000 4.754756\nLi Fe O F\n4 2 4 2\ndirect\n0.253060 0.245517 0.746103 Li\n0.564416 0.598480 0.770447 Li\n0.401519 0.435585 0.270447 Li\n0.754483 0.746941 0.246103 Li\n0.931157 0.865572 0.746524 Fe\n0.134428 0.068844 0.246524 Fe\n0.152082 0.706455 0.493969 O\n0.293546 0.847917 0.993969 O\n0.004421 0.484852 0.006258 O\n0.515149 -0.004422 0.506259 O\n0.663359 0.167612 0.986700 F\n0.832388 0.336642 0.486700 F\n",
"nsites": 12,
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"density_atomic": 0.11326261772514691,
"volume": 105.94846067499748,
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"formula_full": "Li4 Fe2 O4 F2",
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"formula_anonymous": "ABC2D2",
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{
"id": "jvasp-107944",
"created_at": "2022-09-04T14:35:54.340436Z",
"updated_at": "2022-09-04T14:35:54.340466Z",
"structure_string": "Li6 Rh2\n1.0\n5.312347 0.000000 0.000000\n-2.656174 4.600628 0.000000\n-0.000000 -0.000000 4.442729\nLi Rh\n6 2\ndirect\n0.175469 0.350936 0.250000 Li\n0.649065 0.824532 0.250000 Li\n0.175469 0.824532 0.250000 Li\n0.824533 0.649064 0.750000 Li\n0.350936 0.175469 0.750000 Li\n0.824532 0.175469 0.750000 Li\n0.333334 0.666667 0.750000 Rh\n0.666667 0.333334 0.250000 Rh\n",
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"formula_full": "Li6 Rh2",
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{
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"created_at": "2022-09-04T14:38:40.721641Z",
"updated_at": "2022-09-04T14:38:40.721650Z",
"structure_string": "Li1 Y1 P1\n1.0\n-1.875371 1.875371 3.955426\n1.875371 -1.875371 3.955426\n1.875371 1.875371 -3.955426\nLi Y P\n1 1 1\ndirect\n0.543809 0.543809 0.000000 Li\n0.208409 0.208409 0.000000 Y\n0.853380 0.853380 0.000000 P\n",
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{
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"created_at": "2022-09-04T14:38:48.887175Z",
"updated_at": "2022-09-04T14:38:48.887200Z",
"structure_string": "Al1 Sn1 F5\n1.0\n5.444979 0.011124 -1.566106\n-0.966666 3.426350 -4.407527\n0.023453 -0.011124 5.665681\nAl Sn F\n1 1 5\ndirect\n0.500000 0.499999 -0.000001 Al\n0.000000 0.000000 0.000000 Sn\n0.769265 0.499999 0.269264 F\n0.230734 0.500001 0.730734 F\n0.282702 0.282702 -0.000001 F\n0.717297 0.717297 -0.000002 F\n0.500000 -0.000000 0.500000 F\n",
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{
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"updated_at": "2022-09-04T14:38:49.969663Z",
"structure_string": "Li2 V1 O3\n1.0\n4.668787 -1.939961 -0.515827\n4.668787 1.939961 -0.515827\n-0.557196 0.000000 2.794178\nLi V O\n2 1 3\ndirect\n0.825341 0.825341 0.825537 Li\n0.174659 0.174659 0.174463 Li\n0.500000 0.500000 0.500000 V\n0.650286 0.650286 0.149932 O\n1.000000 1.000000 0.499999 O\n0.349714 0.349714 0.850068 O\n",
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{
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"structure_string": "Pa2 Cl10\n1.0\n6.786320 -0.047537 -1.103565\n-2.564879 6.283135 -1.103565\n-0.040652 -0.060048 8.447630\nPa Cl\n2 10\ndirect\n0.073153 0.926848 0.250001 Pa\n0.926847 0.073152 0.750000 Pa\n0.147295 0.884341 0.938929 Cl\n0.115659 0.852706 0.561072 Cl\n0.704456 0.295544 0.750000 Cl\n0.295545 0.704456 0.250001 Cl\n0.599685 0.737652 0.655667 Cl\n0.262348 0.400315 0.844334 Cl\n0.400315 0.262348 0.344334 Cl\n0.737652 0.599685 0.155667 Cl\n0.884341 0.147294 0.438929 Cl\n0.852705 0.115659 0.061072 Cl\n",
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{
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"created_at": "2022-09-04T14:36:02.428671Z",
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"structure_string": "Li2 Sb2 S4\n1.0\n3.150972 3.943174 -2.322029\n-3.150972 3.943174 2.322029\n3.274040 -3.943174 4.396275\nLi Sb S\n2 2 4\ndirect\n0.872368 0.122368 0.250000 Li\n0.127631 0.877630 0.750000 Li\n0.642658 0.392658 0.749999 Sb\n0.357341 0.607341 0.250000 Sb\n0.620744 0.849980 0.757962 S\n0.092019 0.362782 0.742037 S\n0.379256 0.150019 0.242038 S\n0.907980 0.637217 0.257962 S\n",
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"formula_full": "Li2 Sb2 S4",
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"formula_anonymous": "ABC2",
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}
]
}