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{
"id": "jvasp-9528",
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"updated_at": "2022-09-04T14:37:19.917172Z",
"structure_string": "Mg2 V2 S2 F10\n1.0\n5.483254 0.071706 -0.020366\n-1.001423 6.048677 0.140537\n-1.598826 -2.124742 6.795691\nMg V S F\n2 2 2 10\ndirect\n0.390946 0.589800 0.681264 Mg\n0.632302 0.464970 0.236575 Mg\n0.513202 0.954169 0.446009 V\n0.960614 0.370855 0.933435 V\n0.922459 0.069744 0.716088 S\n0.102274 0.006675 0.336458 S\n0.271905 0.346194 0.091048 F\n0.574571 0.640702 0.480817 F\n0.972170 0.634048 0.216633 F\n0.181591 0.317476 0.462960 F\n0.629016 0.235337 0.402690 F\n0.747757 0.229586 0.064278 F\n0.392562 0.907615 0.669802 F\n0.148869 0.589072 0.838170 F\n0.528241 0.789244 0.204300 F\n0.661742 0.487519 0.833226 F\n",
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{
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{
"id": "jvasp-44534",
"created_at": "2022-09-04T14:38:30.601808Z",
"updated_at": "2022-09-04T14:38:30.601831Z",
"structure_string": "Li6 Zn2 P2 C2 O14\n1.0\n0.000000 5.037112 -0.013387\n6.432965 0.000000 0.000000\n0.000000 -0.231955 -8.361552\nLi Zn P C O\n6 2 2 2 14\ndirect\n0.045059 0.524010 0.002276 Li\n0.421103 0.212552 0.812473 Li\n0.445815 0.392117 0.469460 Li\n0.554185 0.892117 0.530540 Li\n0.578898 0.712553 0.187527 Li\n0.954942 0.024010 0.997724 Li\n0.045806 0.748518 0.715852 Zn\n0.954194 0.248517 0.284148 Zn\n0.041153 0.750393 0.335750 P\n0.958848 0.250393 0.664250 P\n0.537767 0.736276 0.877511 C\n0.462233 0.236276 0.122489 C\n0.923696 0.564373 0.237444 O\n0.959179 0.940347 0.232186 O\n0.544148 0.252835 0.270331 O\n0.343259 0.726180 0.367789 O\n0.895935 0.767979 0.497276 O\n0.104065 0.267978 0.502724 O\n0.374109 0.703232 0.990480 O\n0.455853 0.752836 0.729669 O\n0.040821 0.440346 0.767814 O\n0.076304 0.064373 0.762557 O\n0.790059 0.755796 0.912484 O\n0.209942 0.255796 0.087516 O\n0.656741 0.226180 0.632211 O\n0.625891 0.203232 0.009520 O\n",
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{
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"created_at": "2022-09-04T14:36:40.444105Z",
"updated_at": "2022-09-04T14:36:40.444131Z",
"structure_string": "Ti1 S2\n1.0\n6.522114 -0.454220 -0.269025\n5.862884 2.893245 -0.269025\n5.862884 1.154602 2.666484\nTi S\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.590865 0.590867 0.590863 S\n0.409134 0.409135 0.409132 S\n",
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{
"id": "jvasp-12190",
"created_at": "2022-09-04T14:37:13.139553Z",
"updated_at": "2022-09-04T14:37:13.139577Z",
"structure_string": "Ti1 S2\n1.0\n6.522114 -0.454220 -0.269025\n5.862884 2.893245 -0.269025\n5.862884 1.154602 2.666484\nTi S\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.590865 0.590867 0.590863 S\n0.409134 0.409135 0.409132 S\n",
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{
"id": "jvasp-320",
"created_at": "2022-09-04T14:36:18.297096Z",
"updated_at": "2022-09-04T14:36:18.297117Z",
"structure_string": "Ti1 S2\n1.0\n6.522114 -0.454220 -0.269025\n5.862884 2.893245 -0.269025\n5.862884 1.154602 2.666484\nTi S\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.590865 0.590867 0.590863 S\n0.409134 0.409135 0.409132 S\n",
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{
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"created_at": "2022-09-04T14:38:39.000007Z",
"updated_at": "2022-09-04T14:38:39.000031Z",
"structure_string": "K2 Tl1 As1 Cl6\n1.0\n6.650644 -0.000000 3.839751\n2.216882 6.270287 3.839751\n0.000000 0.000000 7.679502\nK Tl As Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 As\n0.769725 0.230274 0.230274 Cl\n0.230274 0.230274 0.769726 Cl\n0.230274 0.769726 0.769726 Cl\n0.230274 0.769726 0.230274 Cl\n0.769725 0.230274 0.769726 Cl\n0.769725 0.769726 0.230274 Cl\n",
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"volume": 320.2463426814648,
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"formula_full": "K2 Tl1 As1 Cl6",
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{
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"created_at": "2022-09-04T14:38:06.120098Z",
"updated_at": "2022-09-04T14:38:06.120115Z",
"structure_string": "Sn1 H8 N2 F6\n1.0\n3.034558 -5.256008 0.000000\n3.034558 5.256008 -0.000000\n-0.000000 0.000000 4.732017\nSn H N F\n1 8 2 6\ndirect\n0.000000 0.000000 0.000000 Sn\n0.517332 0.758666 0.615977 H\n0.241335 0.482669 0.615977 H\n0.241335 0.758666 0.615977 H\n0.333333 0.666667 0.912237 H\n0.758666 0.517332 0.384024 H\n0.482669 0.241335 0.384024 H\n0.666667 0.333333 0.087763 H\n0.758666 0.241335 0.384024 H\n0.666667 0.333333 0.306237 N\n0.333333 0.666667 0.693763 N\n0.316498 0.158249 0.763694 F\n0.158249 0.841752 0.236307 F\n0.683503 0.841752 0.236307 F\n0.158249 0.316498 0.236307 F\n0.841752 0.683503 0.763694 F\n0.841752 0.158249 0.763694 F\n",
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"structure_string": "Ca1 Ti4 P6 O24\n1.0\n7.387601 0.008385 4.844436\n2.620675 6.907155 4.844436\n0.012135 0.008385 8.834312\nCa Ti P O\n1 4 6 24\ndirect\n0.000000 0.000000 0.000000 Ca\n0.357872 0.357872 0.357873 Ti\n0.147270 0.147270 0.147271 Ti\n0.852729 0.852729 0.852731 Ti\n0.642127 0.642127 0.642129 Ti\n0.539593 0.970551 0.246789 P\n0.246786 0.539594 0.970553 P\n0.970552 0.246787 0.539595 P\n0.460406 0.029448 0.753213 P\n0.029447 0.753212 0.460407 P\n0.753212 0.460405 0.029449 P\n0.838153 0.769209 0.479141 O\n0.256566 0.103146 0.898233 O\n0.520860 0.161846 0.230791 O\n0.161845 0.230790 0.520861 O\n0.230790 0.520860 0.161847 O\n0.479139 0.838154 0.769211 O\n0.548683 0.479493 0.183819 O\n0.808291 0.617094 0.997379 O\n0.479493 0.183818 0.548684 O\n0.183818 0.548683 0.479494 O\n0.451316 0.520507 0.816183 O\n0.520506 0.816181 0.451318 O\n0.816181 0.451316 0.520508 O\n0.896854 0.101767 0.743434 O\n0.997377 0.808291 0.617096 O\n0.101766 0.743433 0.896855 O\n0.103145 0.898232 0.256568 O\n0.898232 0.256566 0.103146 O\n0.382906 0.002622 0.191708 O\n0.191708 0.382906 0.002623 O\n0.002622 0.191708 0.382906 O\n0.617093 0.997377 0.808294 O\n0.743433 0.896854 0.101769 O\n0.769209 0.479139 0.838155 O\n",
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{
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"created_at": "2022-09-04T14:36:43.589087Z",
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"structure_string": "Na2 Li1 Ti1 F6\n1.0\n4.802636 0.000000 2.772803\n1.600879 4.527970 2.772803\n-0.000000 0.000000 5.545607\nNa Li Ti F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750001 0.750000 0.749999 Na\n0.500001 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Ti\n0.250444 0.250444 0.749556 F\n0.250444 0.749556 0.749556 F\n0.749557 0.749556 0.250442 F\n0.250444 0.749556 0.250443 F\n0.749557 0.250444 0.749556 F\n0.749557 0.250444 0.250443 F\n",
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{
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"structure_string": "Ba1 Li1 Zn1\n1.0\n0.000000 3.890042 3.890042\n3.890042 0.000000 3.890042\n3.890042 3.890042 -0.000000\nBa Li Zn\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Zn\n",
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{
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"structure_string": "Li2 V2 P2 H2 O10\n1.0\n5.365540 -0.182520 -0.064130\n-1.173811 5.977680 -0.011334\n-1.602416 -1.999720 6.015110\nLi V P H O\n2 2 2 2 10\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.761196 0.381414 0.272367 V\n0.238804 0.618586 0.727634 V\n0.345824 0.554316 0.232517 P\n0.654176 0.445684 0.767484 P\n0.662238 0.939647 0.157648 H\n0.337762 0.060353 0.842352 H\n0.177053 0.921064 0.759322 O\n0.164773 0.590313 0.385849 O\n0.336012 0.288368 0.154873 O\n0.663988 0.711633 0.845127 O\n0.651370 0.681720 0.364238 O\n0.822947 0.078936 0.240679 O\n0.254679 0.653157 0.042524 O\n0.745321 0.346843 0.957477 O\n0.835226 0.409687 0.614152 O\n0.348629 0.318280 0.635763 O\n",
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}