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{
"id": "jvasp-119103",
"created_at": "2022-09-04T14:38:51.040646Z",
"updated_at": "2022-09-04T14:38:51.040679Z",
"structure_string": "Fe2 P2 H6 C2 O14\n1.0\n4.771358 0.069725 -1.493913\n-1.882365 7.316630 -0.843892\n0.067134 0.054965 7.596826\nFe P H C O\n2 2 6 2 14\ndirect\n0.466263 0.700097 0.743188 Fe\n0.533736 0.299903 0.256813 Fe\n0.856458 0.713383 0.452124 P\n0.143540 0.286617 0.547876 P\n0.041178 0.328549 0.040441 H\n0.756291 0.602771 0.080825 H\n0.958821 0.671451 0.959560 H\n0.247059 0.017769 0.602809 H\n0.752939 0.982231 0.397192 H\n0.243707 0.397230 0.919176 H\n0.625733 0.052799 0.973943 C\n0.374265 0.947201 0.026058 C\n0.273408 0.146664 0.665092 O\n0.293116 0.029112 0.146764 O\n0.706882 0.970888 0.853236 O\n0.199063 0.457415 0.694131 O\n0.800936 0.542585 0.305870 O\n0.726591 0.853337 0.334909 O\n0.706273 0.670998 0.597103 O\n0.270108 0.783961 0.940603 O\n0.242767 0.383845 0.047436 O\n0.757232 0.616155 0.952565 O\n0.293726 0.329003 0.402898 O\n0.181897 0.795552 0.549255 O\n0.729891 0.216039 0.059398 O\n0.818102 0.204448 0.450746 O\n",
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"structure_string": "Ba4 Na1 Cu1 C2 O10\n1.0\n5.529373 -0.000000 -1.961529\n-0.695846 5.485413 -1.961529\n0.010719 0.012164 8.804382\nBa Na Cu C O\n4 1 1 2 10\ndirect\n0.617760 0.117760 0.235521 Ba\n0.382239 0.882238 0.764478 Ba\n0.117760 0.617760 0.235521 Ba\n0.882239 0.382239 0.764478 Ba\n0.000000 0.000000 0.000000 Na\n0.499999 0.500000 -0.000000 Cu\n0.232642 0.232642 0.465286 C\n0.767357 0.767357 0.534713 C\n0.864120 0.590386 0.454507 O\n0.148389 0.148389 0.296779 O\n0.278266 0.278267 0.005347 O\n0.727079 0.727080 0.005347 O\n0.272919 0.721732 0.994652 O\n0.851610 0.851610 0.703220 O\n0.135879 0.135879 0.545492 O\n0.590386 0.864120 0.454507 O\n0.409613 0.409613 0.545492 O\n0.721733 0.272919 0.994652 O\n",
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"formula_full": "Ba4 Na1 Cu1 C2 O10",
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{
"id": "jvasp-97983",
"created_at": "2022-09-04T14:35:41.570938Z",
"updated_at": "2022-09-04T14:35:41.570954Z",
"structure_string": "Er6 Fe2 Si6\n1.0\n4.071110 0.000000 0.670524\n2.007176 5.187230 0.507568\n0.006074 -0.044655 12.657327\nEr Fe Si\n6 2 6\ndirect\n0.748736 0.732111 0.770417 Er\n0.251264 0.267890 0.229583 Er\n0.523761 0.332192 0.620286 Er\n0.476239 0.667809 0.379714 Er\n0.399152 0.282652 0.919044 Er\n0.600848 0.717349 0.080956 Er\n0.753060 0.078505 0.415375 Fe\n0.246940 0.921496 0.584625 Fe\n0.144793 0.254408 0.456005 Si\n0.855206 0.745593 0.543995 Si\n0.115566 0.844127 0.924741 Si\n0.884433 0.155875 0.075259 Si\n0.054279 0.133744 0.757697 Si\n0.945721 0.866257 0.242303 Si\n",
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{
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"created_at": "2022-09-04T14:38:14.096669Z",
"updated_at": "2022-09-04T14:38:14.096680Z",
"structure_string": "K4 Zn6 O8\n1.0\n5.674155 -0.005732 -1.191966\n-0.523962 5.844879 -2.522343\n-0.040679 -0.009710 8.073541\nK Zn O\n4 6 8\ndirect\n0.515707 0.764486 0.764037 K\n0.984295 0.000450 0.235963 K\n0.484294 0.235515 0.235964 K\n0.015706 -0.000449 0.764036 K\n0.584640 0.807180 0.380711 Zn\n0.415361 0.192820 0.619290 Zn\n0.915361 0.426469 0.619290 Zn\n0.750001 0.478977 0.000000 Zn\n0.250000 0.521024 0.000000 Zn\n0.084640 0.573532 0.380711 Zn\n0.717098 0.139918 0.531808 O\n0.955561 0.626288 0.886499 O\n0.544441 0.739788 0.113501 O\n0.044441 0.373713 0.113501 O\n0.455560 0.260212 0.886499 O\n0.282903 0.860083 0.468192 O\n0.217097 0.391890 0.531808 O\n0.782904 0.608110 0.468192 O\n",
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{
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"created_at": "2022-09-04T14:36:39.439803Z",
"updated_at": "2022-09-04T14:36:39.439828Z",
"structure_string": "Te2 Mo3 W1 Se6\n1.0\n3.388327 -0.000000 0.000000\n-1.694163 2.934372 0.006527\n-0.000000 -0.050283 26.883989\nTe Mo W Se\n2 3 1 6\ndirect\n0.333480 0.666959 0.821033 Te\n0.333760 0.667519 0.680327 Te\n0.331832 0.663661 0.008062 Mo\n0.335305 0.670608 0.493441 Mo\n0.665894 0.331788 0.250733 Mo\n0.666965 0.333928 0.750679 W\n0.332438 0.664876 0.312187 Se\n0.665241 0.330478 0.946583 Se\n0.668747 0.337492 0.431992 Se\n0.665123 0.330245 0.069509 Se\n0.668541 0.337080 0.554921 Se\n0.332684 0.665367 0.189280 Se\n",
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"density_atomic": 0.04489368384381215,
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"formula_full": "Te2 Mo3 W1 Se6",
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{
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"created_at": "2022-09-04T14:37:07.212223Z",
"updated_at": "2022-09-04T14:37:07.212254Z",
"structure_string": "K3 Ta3 B2 O12\n1.0\n4.429886 -7.672789 -0.000000\n4.429886 7.672789 0.000000\n-0.000000 -0.000000 3.931945\nK Ta B O\n3 3 2 12\ndirect\n0.000000 0.595864 0.500001 K\n0.404137 0.404137 0.500001 K\n0.595864 0.000000 0.500001 K\n0.000000 0.246876 0.000000 Ta\n0.753124 0.753124 0.000000 Ta\n0.246876 0.000000 0.000000 Ta\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n0.000000 0.819145 0.000000 O\n0.263364 0.000000 0.500001 O\n0.736637 0.736637 0.500001 O\n0.000000 0.263364 0.500001 O\n0.812700 0.316715 0.000000 O\n0.187301 0.504016 0.000000 O\n0.495985 0.683286 0.000000 O\n0.316715 0.812700 0.000000 O\n0.180856 0.180856 0.000000 O\n0.504016 0.187301 0.000000 O\n0.683286 0.495985 0.000000 O\n0.819145 0.000000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:37:51.886049Z",
"updated_at": "2022-09-04T14:37:51.886063Z",
"structure_string": "K1 Ba4 Mo1\n1.0\n0.000000 5.112618 5.112618\n5.112618 0.000000 5.112618\n5.112618 5.112618 0.000000\nK Ba Mo\n1 4 1\ndirect\n0.250000 0.250000 0.250000 K\n0.118093 0.627303 0.627303 Ba\n0.627303 0.627303 0.627303 Ba\n0.627303 0.118093 0.627303 Ba\n0.627303 0.627303 0.118093 Ba\n0.000000 0.000000 0.000000 Mo\n",
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{
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"created_at": "2022-09-04T14:37:04.136548Z",
"updated_at": "2022-09-04T14:37:04.136575Z",
"structure_string": "Tl2 Sn1 Hg1 Te4\n1.0\n6.810951 0.001602 -1.883695\n-3.943724 5.553025 -1.883695\n-0.000828 -0.001602 7.066637\nTl Sn Hg Te\n2 1 1 4\ndirect\n0.000000 0.500001 0.500001 Tl\n0.500000 0.000000 0.500001 Tl\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000001 Hg\n0.423219 0.423219 0.367828 Te\n0.576782 0.944610 0.000001 Te\n0.944609 0.576782 0.000001 Te\n0.055391 0.055391 0.632174 Te\n",
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"created_at": "2022-09-04T14:36:02.259577Z",
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"structure_string": "Ba4 Hf1 Br1\n1.0\n0.000000 5.112470 5.112470\n5.112470 0.000000 5.112470\n5.112470 5.112470 -0.000000\nBa Hf Br\n4 1 1\ndirect\n0.122788 0.625738 0.625738 Ba\n0.625738 0.625738 0.625738 Ba\n0.625738 0.122788 0.625738 Ba\n0.625738 0.625738 0.122788 Ba\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.250000 Br\n",
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"created_at": "2022-09-04T14:36:10.264646Z",
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"structure_string": "Ba4 Ca1 Co1\n1.0\n0.000000 5.112449 5.112449\n5.112449 0.000000 5.112449\n5.112449 5.112449 0.000000\nBa Ca Co\n4 1 1\ndirect\n0.119468 0.626844 0.626844 Ba\n0.626844 0.626844 0.626844 Ba\n0.626844 0.119468 0.626844 Ba\n0.626844 0.626844 0.119468 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Co\n",
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"structure_string": "Nd6 Tm2\n1.0\n7.279861 -0.000000 0.000000\n-3.639930 6.304545 0.000000\n-0.000000 -0.000000 5.822670\nNd Tm\n6 2\ndirect\n0.167969 0.335939 0.250000 Nd\n0.664061 0.832032 0.250000 Nd\n0.167969 0.832032 0.250000 Nd\n0.832031 0.664061 0.750000 Nd\n0.335939 0.167969 0.750000 Nd\n0.832031 0.167969 0.750000 Nd\n0.333334 0.666667 0.750000 Tm\n0.666667 0.333334 0.250000 Tm\n",
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{
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"structure_string": "Pr4 Ni4 Sn4\n1.0\n4.636135 0.000000 0.000000\n-0.000000 7.593868 0.000000\n0.000000 0.000000 7.590643\nPr Ni Sn\n4 4 4\ndirect\n0.250000 0.804519 0.477307 Pr\n0.749999 0.195481 0.522692 Pr\n0.749999 0.304519 0.022692 Pr\n0.250000 0.695481 0.977307 Pr\n0.749999 0.580525 0.314061 Ni\n0.749999 0.919475 0.814061 Ni\n0.250000 0.080525 0.185938 Ni\n0.250000 0.419475 0.685938 Ni\n0.749999 0.592956 0.685099 Sn\n0.749999 0.907045 0.185099 Sn\n0.250000 0.092956 0.814901 Sn\n0.250000 0.407044 0.314901 Sn\n",
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"formula_full": "Pr4 Ni4 Sn4",
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]
}