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{
"id": "jvasp-89096",
"created_at": "2022-09-04T14:35:55.512452Z",
"updated_at": "2022-09-04T14:35:55.512478Z",
"structure_string": "Na2 Sn4 P6 O24\n1.0\n7.572103 -0.083713 4.850975\n2.610977 7.108203 4.850975\n-0.121355 -0.083713 8.991884\nNa Sn P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.499999 Na\n0.644949 0.644950 0.644949 Sn\n0.855050 0.855051 0.855049 Sn\n0.355050 0.355050 0.355050 Sn\n0.144950 0.144950 0.144950 Sn\n0.042963 0.750000 0.457036 P\n0.542963 0.957037 0.249999 P\n0.249999 0.542964 0.957036 P\n0.457036 0.042964 0.749999 P\n0.957036 0.250001 0.542962 P\n0.750000 0.457037 0.042963 P\n0.618359 0.012849 0.790870 O\n0.881639 0.709130 0.487151 O\n0.709129 0.487152 0.881639 O\n0.487152 0.881640 0.709128 O\n0.012848 0.790871 0.618360 O\n0.790871 0.618360 0.012847 O\n0.773021 0.418073 0.562621 O\n0.512848 0.118361 0.290870 O\n0.418072 0.562622 0.773021 O\n0.562621 0.773022 0.418071 O\n0.937377 0.081928 0.726978 O\n0.081927 0.726979 0.937378 O\n0.726978 0.937378 0.081927 O\n0.226978 0.581928 0.437378 O\n0.290871 0.512848 0.118360 O\n0.581927 0.437379 0.226978 O\n0.062622 0.918072 0.273021 O\n0.918072 0.273022 0.062621 O\n0.273021 0.062622 0.918072 O\n0.381640 0.987152 0.209128 O\n0.209129 0.381640 0.987151 O\n0.987151 0.209130 0.381639 O\n0.437378 0.226979 0.581927 O\n0.118360 0.290871 0.512848 O\n",
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{
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"updated_at": "2022-09-04T14:35:55.508610Z",
"structure_string": "V5 O10\n1.0\n5.272365 0.053602 0.028064\n-2.465432 -4.735799 -0.069406\n-2.450280 0.098647 -6.768934\nV O\n5 10\ndirect\n0.000776 0.010622 0.008991 V\n0.791891 0.499984 0.614840 V\n0.608320 0.500661 0.179870 V\n0.199998 0.500148 0.397349 V\n0.399324 -0.010083 0.785725 V\n0.390196 0.306588 0.612764 O\n0.827325 0.219318 0.808759 O\n0.414206 0.200074 0.003532 O\n0.787540 0.310527 0.409486 O\n0.149417 0.260615 0.204653 O\n0.985851 0.800570 0.791179 O\n0.009934 0.693952 0.181944 O\n0.250445 0.739769 0.590109 O\n0.572674 0.781257 0.985965 O\n0.612508 0.689964 0.385224 O\n",
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"formula_full": "V5 O10",
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"spacegroup": 2
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{
"id": "jvasp-28364",
"created_at": "2022-09-04T14:35:55.508404Z",
"updated_at": "2022-09-04T14:35:55.508420Z",
"structure_string": "Cr3 N2\n1.0\n-2.212975 -3.916804 -0.217084\n-2.285564 3.958714 0.000000\n-0.137141 -0.079178 -2.624887\nCr N\n3 2\ndirect\n-0.000000 0.669431 0.000000 Cr\n0.325635 0.327955 0.057843 Cr\n0.674366 0.002321 -0.057844 Cr\n0.338884 0.669587 0.497033 N\n0.661116 0.330705 0.502966 N\n",
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{
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"updated_at": "2022-09-04T14:35:55.506931Z",
"structure_string": "Ti1 Be2 Cl1\n1.0\n3.292969 -0.000000 0.000000\n0.000000 3.292969 0.000000\n0.000000 0.000000 5.315155\nTi Be Cl\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Be\n0.500000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Cl\n",
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{
"id": "jvasp-1351",
"created_at": "2022-09-04T14:35:55.503135Z",
"updated_at": "2022-09-04T14:35:55.503172Z",
"structure_string": "Yb1 S1\n1.0\n3.441637 -0.000000 1.987029\n1.147213 3.244806 1.987029\n0.000000 0.000000 3.974060\nYb S\n1 1\ndirect\n0.500000 0.500001 0.500000 Yb\n0.000000 0.000000 0.000000 S\n",
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},
{
"id": "jvasp-49950",
"created_at": "2022-09-04T14:35:55.501000Z",
"updated_at": "2022-09-04T14:35:55.501033Z",
"structure_string": "Na8 Sn4 O12\n1.0\n5.674098 -0.006878 -0.002438\n-1.836660 5.368590 -0.000273\n-1.914582 -2.679171 9.634586\nNa Sn O\n8 4 12\ndirect\n0.503826 0.006562 0.008730 Na\n0.576775 0.579518 0.154666 Na\n0.671279 0.174002 0.343660 Na\n0.744217 0.746924 0.489580 Na\n0.253828 0.256539 0.508741 Na\n0.826816 0.329479 0.654667 Na\n0.421302 0.424005 0.843662 Na\n0.994269 0.496976 0.989586 Na\n0.333326 0.836044 0.667751 Sn\n0.914730 0.917447 0.830563 Sn\n0.083319 0.086043 0.167752 Sn\n0.164728 0.667453 0.330566 Sn\n0.209116 0.211839 0.999159 O\n0.873490 0.337392 0.181954 O\n0.307363 0.848909 0.181958 O\n0.374558 0.416104 0.316362 O\n0.940695 0.904594 0.316365 O\n0.038936 0.541655 0.499160 O\n0.459118 0.961835 0.499159 O\n0.096184 0.060087 0.681957 O\n0.584671 0.626215 0.681956 O\n0.151880 0.693420 0.816364 O\n0.663389 0.127287 0.816363 O\n0.788938 0.791656 0.999160 O\n",
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],
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"formula_full": "Na8 Sn4 O12",
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"formula_anonymous": "AB2C3",
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"spacegroup": 70
},
{
"id": "jvasp-64728",
"created_at": "2022-09-04T14:35:55.498090Z",
"updated_at": "2022-09-04T14:35:55.498117Z",
"structure_string": "Ba4 Sc1 Cd1\n1.0\n-0.000000 5.119946 5.119946\n5.119946 -0.000000 5.119946\n5.119946 5.119946 0.000000\nBa Sc Cd\n4 1 1\ndirect\n0.125362 0.624880 0.624880 Ba\n0.624880 0.624880 0.624880 Ba\n0.624880 0.125362 0.624880 Ba\n0.624880 0.624880 0.125362 Ba\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 6,
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"Cd"
],
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"formula_full": "Ba4 Sc1 Cd1",
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{
"id": "jvasp-90769",
"created_at": "2022-09-04T14:35:55.493499Z",
"updated_at": "2022-09-04T14:35:55.493525Z",
"structure_string": "Mg2 Sn6\n1.0\n4.625761 -0.000000 0.000000\n0.000000 4.625761 0.000000\n0.000000 0.000000 9.854294\nMg Sn\n2 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Sn\n0.500000 0.000000 0.250000 Sn\n0.000000 0.500000 0.250000 Sn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.500000 0.750000 Sn\n0.500000 0.000000 0.750000 Sn\n",
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"volume": 210.85888013961807,
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{
"id": "jvasp-97896",
"created_at": "2022-09-04T14:35:55.492893Z",
"updated_at": "2022-09-04T14:35:55.492920Z",
"structure_string": "Ga2 H26 C8 N4\n1.0\n5.811723 -0.018060 1.734694\n1.296025 6.647275 1.038347\n-0.013930 0.069511 8.551755\nGa H C N\n2 26 8 4\ndirect\n0.443774 0.911468 0.872499 Ga\n0.556226 0.088533 0.127501 Ga\n0.130060 0.868043 0.202920 H\n0.349092 0.155600 0.547304 H\n0.181618 0.925110 0.877064 H\n0.655140 0.587169 0.531405 H\n0.314443 0.485204 0.937249 H\n0.001919 0.405069 0.364700 H\n0.134536 0.300446 0.969618 H\n0.604587 0.230567 0.408770 H\n0.030771 0.227102 0.226110 H\n0.685557 0.514797 0.062751 H\n0.865464 0.699555 0.030383 H\n0.699907 0.252318 0.657587 H\n0.986968 0.854314 0.563474 H\n0.869940 0.131958 0.797080 H\n0.650908 0.844401 0.452696 H\n0.281652 0.384849 0.767074 H\n0.013032 0.145687 0.436526 H\n0.718348 0.615152 0.232926 H\n0.969229 0.772898 0.773890 H\n0.395413 0.769434 0.591230 H\n0.265182 0.608269 0.194749 H\n0.344860 0.412831 0.468596 H\n0.300093 0.747683 0.342414 H\n0.734818 0.391732 0.805252 H\n0.818382 0.074891 0.122937 H\n0.998081 0.594932 0.635300 H\n0.286267 0.756820 0.215811 C\n0.587241 0.743344 0.564176 C\n0.296844 0.347523 0.894155 C\n0.703156 0.652478 0.105846 C\n0.913209 0.749135 0.668366 C\n0.713733 0.243181 0.784190 C\n0.086791 0.250866 0.331634 C\n0.412759 0.256657 0.435824 C\n0.499052 0.815185 0.097824 N\n0.661093 0.775724 0.703662 N\n0.338907 0.224277 0.296339 N\n0.500948 0.184816 0.902176 N\n",
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],
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{
"id": "jvasp-91933",
"created_at": "2022-09-04T14:35:55.489523Z",
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"structure_string": "Si8\n1.0\n-0.000000 3.882834 -0.000000\n-0.376562 -0.000000 6.389180\n6.963735 -1.941418 -0.412851\nSi\n8\ndirect\n0.055386 0.873919 0.110771 Si\n0.944613 0.126082 0.889230 Si\n0.558828 0.653435 0.117657 Si\n0.441171 0.346565 0.882344 Si\n0.212659 0.057438 0.425317 Si\n0.787340 0.942562 0.574684 Si\n0.727195 0.585506 0.454393 Si\n0.272804 0.414495 0.545608 Si\n",
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{
"id": "jvasp-74401",
"created_at": "2022-09-04T14:35:55.485815Z",
"updated_at": "2022-09-04T14:35:55.485845Z",
"structure_string": "Be1 Bi2 P1\n1.0\n-2.520918 2.520918 3.567754\n2.520918 -2.520918 3.567754\n2.520918 2.520918 -3.567754\nBe Bi P\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Bi\n0.499999 0.499999 0.000000 Bi\n0.250000 0.750000 0.500000 P\n",
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},
{
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"created_at": "2022-09-04T14:35:55.484685Z",
"updated_at": "2022-09-04T14:35:55.484714Z",
"structure_string": "Cr2 Hg10 S4 O10\n1.0\n6.997311 -0.090348 1.190284\n2.761220 7.781214 0.961021\n0.039141 -0.051124 9.441239\nCr Hg S O\n2 10 4 10\ndirect\n0.411399 0.626473 0.703428 Cr\n0.588601 0.373527 0.296571 Cr\n0.856510 0.436388 0.914684 Hg\n0.143490 0.563612 0.085316 Hg\n0.624153 0.718549 0.029789 Hg\n0.375847 0.281451 0.970211 Hg\n0.000000 0.000000 0.000000 Hg\n-0.000000 0.500000 0.500000 Hg\n0.197125 0.824971 0.352220 Hg\n0.802875 0.175028 0.647780 Hg\n0.670595 0.887588 0.351921 Hg\n0.329405 0.112411 0.648079 Hg\n0.095200 0.199516 0.473925 S\n0.904800 0.800484 0.526075 S\n0.421175 0.954799 0.191153 S\n0.578824 0.045201 0.808847 S\n0.393746 0.779821 0.570075 O\n0.259324 0.515804 0.695030 O\n0.740676 0.484196 0.304969 O\n0.651601 0.491162 0.692855 O\n0.348398 0.508838 0.307144 O\n0.350153 0.718312 0.860877 O\n0.649846 0.281687 0.139123 O\n0.022742 0.183046 0.842978 O\n0.977258 0.816954 0.157021 O\n0.606254 0.220178 0.429925 O\n",
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],
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"formula_full": "Cr2 Hg10 S4 O10",
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"formula_anonymous": "AB2C5D5",
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}
]
}