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{
"id": "jvasp-58266",
"created_at": "2022-09-04T14:37:17.326586Z",
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"structure_string": "Na2 Er2 P2 O8 F2\n1.0\n5.495460 0.003129 1.245911\n1.160302 5.371572 1.245911\n0.002741 0.002214 6.460225\nNa Er P O F\n2 2 2 8 2\ndirect\n0.705374 0.294626 0.500000 Na\n0.294626 0.705373 0.500000 Na\n0.283181 0.283181 0.116763 Er\n0.716819 0.716818 0.883238 Er\n0.846945 0.846945 0.276127 P\n0.153054 0.153054 0.723874 P\n0.983300 0.628966 0.153289 O\n0.371034 0.016699 0.846712 O\n0.020359 0.020359 0.271913 O\n0.979641 0.979640 0.728087 O\n0.741957 0.741956 0.510425 O\n0.258043 0.258043 0.489575 O\n0.016699 0.371034 0.846712 O\n0.628965 0.983300 0.153289 O\n0.519316 0.519315 0.189275 F\n0.480684 0.480684 0.810726 F\n",
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{
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"structure_string": "Li2 V2 H4 O2 F10\n1.0\n5.581600 0.120319 -0.016920\n-2.007528 5.209470 0.016919\n-0.608753 0.408221 7.650482\nLi V H O F\n2 2 4 2 10\ndirect\n0.260119 0.711756 0.494524 Li\n0.711756 0.260119 0.005476 Li\n0.237769 0.237769 0.250000 V\n0.764922 0.764922 0.750000 V\n0.122355 0.205412 0.839773 H\n0.205412 0.122355 0.660227 H\n0.799454 0.874245 0.343535 H\n0.874245 0.799454 0.156465 H\n0.923844 0.923845 0.250000 O\n0.077894 0.077894 0.750000 O\n0.844252 0.641566 0.976621 F\n0.077133 0.417667 0.365352 F\n0.088987 0.315010 0.036038 F\n0.630771 0.978217 0.846129 F\n0.481341 0.481341 0.750000 F\n0.315011 0.088987 0.463962 F\n0.641566 0.844251 0.523379 F\n0.516808 0.516808 0.250000 F\n0.417667 0.077133 0.134648 F\n0.978217 0.630771 0.653871 F\n",
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{
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"updated_at": "2022-09-04T14:37:29.305395Z",
"structure_string": "Ba2 Al1 Tl1 Sn2 O7\n1.0\n4.135701 0.000000 0.000000\n0.000000 4.135701 0.000000\n-0.000000 -0.000000 13.021754\nBa Al Tl Sn O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.190065 Ba\n0.500000 0.500000 0.809935 Ba\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.369975 Sn\n0.000000 0.000000 0.630024 Sn\n0.000000 0.000000 0.212814 O\n0.000000 0.500000 0.401120 O\n0.500000 0.000000 0.401120 O\n0.500000 0.000000 0.598880 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.598880 O\n0.000000 0.000000 0.787185 O\n",
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{
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"created_at": "2022-09-04T14:37:30.054222Z",
"updated_at": "2022-09-04T14:37:30.054246Z",
"structure_string": "Li4 Mn2 Fe2 B4 O12\n1.0\n5.184924 0.001166 0.050898\n-2.582740 4.482678 0.069462\n-0.078738 -0.065244 10.119584\nLi Mn Fe B O\n4 2 2 4 12\ndirect\n0.685567 0.664483 0.662657 Li\n0.631696 0.650824 0.167990 Li\n0.374215 0.359988 0.416110 Li\n0.322308 0.332168 0.919489 Li\n0.650494 -0.008935 0.884247 Mn\n0.014177 0.341822 0.632457 Mn\n0.296522 -0.031159 0.146995 Fe\n0.039430 0.700955 0.365857 Fe\n0.347884 0.010933 0.621893 B\n-0.010858 0.658208 0.880334 B\n0.972790 0.309422 0.128706 B\n0.700313 0.028436 0.374759 B\n0.232023 0.923527 0.920685 O\n0.964198 0.282544 0.407019 O\n0.713994 0.041894 0.102421 O\n0.947299 0.558582 0.157659 O\n0.447902 0.055123 0.351878 O\n0.714150 0.634281 0.863667 O\n0.681321 0.754261 0.361304 O\n0.377356 0.290640 0.610446 O\n0.248221 0.329298 0.123031 O\n0.587866 0.979318 0.661735 O\n0.024690 0.413704 0.851182 O\n0.077041 0.760305 0.591276 O\n",
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{
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"created_at": "2022-09-04T14:37:30.112657Z",
"updated_at": "2022-09-04T14:37:30.112689Z",
"structure_string": "Te2 Mo2 W1 Se2 S2\n1.0\n3.360012 0.000537 -0.000087\n-1.680452 2.906258 0.139526\n0.000745 0.990814 20.107038\nTe Mo W Se S\n2 2 1 2 2\ndirect\n0.589320 0.179151 0.579822 Te\n0.525341 0.051235 0.770197 Te\n0.439740 0.879400 0.025213 Mo\n0.669587 0.338715 0.340689 Mo\n0.223963 0.448485 0.675087 W\n0.800943 0.601783 0.942237 Se\n0.745207 0.490330 0.108180 Se\n0.310870 0.621304 0.416262 S\n0.361627 0.722796 0.265156 S\n",
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"formula_full": "Te2 Mo2 W1 Se2 S2",
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{
"id": "jvasp-29129",
"created_at": "2022-09-04T14:37:28.966833Z",
"updated_at": "2022-09-04T14:37:28.966868Z",
"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n3.346157 0.000000 -0.000000\n-1.673079 2.897176 0.000486\n-0.000000 0.005611 34.170994\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.667943 0.335884 0.024674 Te\n0.667722 0.335442 0.135864 Te\n0.334380 0.668759 0.080209 Mo\n0.332891 0.665782 0.476230 Mo\n0.667117 0.334234 0.284102 Mo\n0.665568 0.331137 0.662325 W\n0.333530 0.667062 0.332905 Se\n0.666314 0.332627 0.427465 Se\n0.666116 0.332230 0.525019 Se\n0.333953 0.667909 0.235310 Se\n0.332065 0.664130 0.706935 S\n0.332405 0.664811 0.617710 S\n",
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{
"id": "jvasp-11588",
"created_at": "2022-09-04T14:37:10.522372Z",
"updated_at": "2022-09-04T14:37:10.522394Z",
"structure_string": "Sr4 Ca1 Mn2 S2 O6\n1.0\n3.880405 -0.000000 -0.000000\n0.000000 3.880405 -0.000000\n-0.000000 -0.000000 16.845178\nSr Ca Mn S O\n4 1 2 2 6\ndirect\n0.000000 0.499999 0.796788 Sr\n0.499999 0.000000 0.203212 Sr\n0.000000 0.499999 0.581134 Sr\n0.499999 0.000000 0.418867 Sr\n0.499999 0.499999 0.000000 Ca\n0.499999 0.000000 0.682274 Mn\n0.000000 0.499999 0.317726 Mn\n0.499999 0.000000 0.888341 S\n0.000000 0.499999 0.111659 S\n0.000000 0.000000 0.698446 O\n0.499999 0.499999 0.698625 O\n0.499999 0.499999 0.301375 O\n0.000000 0.000000 0.301554 O\n0.499999 0.000000 0.565313 O\n0.000000 0.499999 0.434687 O\n",
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{
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"created_at": "2022-09-04T14:37:28.723196Z",
"updated_at": "2022-09-04T14:37:28.723229Z",
"structure_string": "K2 Na2 Pr2 Ta2 O10\n1.0\n5.792268 0.000000 0.000000\n0.000000 5.792268 0.000000\n-0.000000 0.000000 8.289053\nK Na Pr Ta O\n2 2 2 2 10\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.241299 Na\n0.000000 0.500000 0.758701 Na\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.500000 0.255320 Ta\n0.500000 0.000000 0.744680 Ta\n0.269905 0.230095 0.674048 O\n0.730095 0.769905 0.674048 O\n0.269905 0.769905 0.674048 O\n0.230095 0.730095 0.325951 O\n0.000000 0.500000 0.031184 O\n0.230095 0.269905 0.325951 O\n0.769905 0.269905 0.325951 O\n0.730095 0.230095 0.674048 O\n0.769905 0.730095 0.325951 O\n0.500000 0.000000 0.968816 O\n",
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{
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"created_at": "2022-09-04T14:37:33.168665Z",
"updated_at": "2022-09-04T14:37:33.168674Z",
"structure_string": "Te2 Mo1 W2 Se2 S2\n1.0\n3.354611 0.000000 0.000000\n-1.677305 2.904995 -0.001812\n0.000000 -0.019128 26.435489\nTe Mo W Se S\n2 1 2 2 2\ndirect\n0.666963 0.333924 0.523646 Te\n0.667289 0.334579 0.668011 Te\n0.332073 0.664145 0.103242 Mo\n0.333789 0.667577 0.595914 W\n0.667519 0.335037 0.341817 W\n0.664574 0.329146 0.040338 Se\n0.666216 0.332431 0.166197 Se\n0.334311 0.668622 0.399418 S\n0.333865 0.667729 0.284258 S\n",
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],
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{
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"created_at": "2022-09-04T14:37:30.115888Z",
"updated_at": "2022-09-04T14:37:30.115925Z",
"structure_string": "Li4 Ca2 Mg1 Si2 N6\n1.0\n-0.022028 0.000000 -5.621906\n-2.930408 -4.903149 0.241172\n-2.930408 4.903149 0.241172\nLi Ca Mg Si N\n4 2 1 2 6\ndirect\n0.625653 0.988358 0.332416 Li\n0.625653 0.332416 0.988358 Li\n0.374349 0.011643 0.667585 Li\n0.374349 0.667585 0.011643 Li\n0.000000 0.322235 0.677765 Ca\n0.000000 0.677765 0.322235 Ca\n0.000000 0.000000 0.000000 Mg\n0.367998 0.319813 0.319813 Si\n0.632003 0.680188 0.680188 Si\n0.311345 0.623190 0.623190 N\n0.688656 0.376811 0.376811 N\n0.253009 0.031066 0.320787 N\n0.253009 0.320787 0.031066 N\n0.746992 0.968935 0.679214 N\n0.746992 0.679214 0.968935 N\n",
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{
"id": "jvasp-42738",
"created_at": "2022-09-04T14:37:29.957805Z",
"updated_at": "2022-09-04T14:37:29.957823Z",
"structure_string": "Li4 Mn3 Fe1 B4 O12\n1.0\n5.221026 -0.010320 0.016211\n-2.410089 5.411433 -0.069452\n-0.092739 -2.219795 8.663414\nLi Mn Fe B O\n4 3 1 4 12\ndirect\n0.584943 0.315628 0.964967 Li\n0.090026 0.320407 0.466431 Li\n0.912867 0.680762 0.535709 Li\n0.413364 0.682193 0.033320 Li\n0.545865 0.236631 0.295160 Mn\n0.042370 0.234676 0.791417 Mn\n0.955269 0.763331 0.206124 Mn\n0.454557 0.766369 0.707113 Fe\n0.053964 0.260180 0.129660 B\n0.448915 0.741354 0.371973 B\n0.552794 0.257985 0.630172 B\n0.944370 0.740782 0.868034 B\n0.282147 0.706899 0.491328 O\n0.623284 0.177076 0.753316 O\n0.726409 0.296544 0.514151 O\n0.816320 0.310403 0.131191 O\n0.316158 0.308592 0.629709 O\n0.127189 0.180495 0.252643 O\n0.777896 0.701574 0.986544 O\n0.222998 0.298339 0.011873 O\n0.862988 0.815696 0.745317 O\n0.684863 0.688959 0.369946 O\n0.186869 0.696583 0.865465 O\n0.373571 0.818522 0.248433 O\n",
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{
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"created_at": "2022-09-04T14:37:33.300280Z",
"updated_at": "2022-09-04T14:37:33.300305Z",
"structure_string": "Na4 Sc2 P2 C2 O14\n1.0\n0.000000 5.217135 -0.005083\n6.706583 0.000000 0.000000\n0.000000 -0.056001 -9.056677\nNa Sc P C O\n4 2 2 2 14\ndirect\n0.236555 0.495722 0.220744 Na\n0.236555 0.004278 0.220744 Na\n0.763444 0.504278 0.779256 Na\n0.763444 0.995721 0.779256 Na\n0.787026 0.750000 0.360675 Sc\n0.212973 0.250000 0.639325 Sc\n0.707314 0.250000 0.423433 P\n0.292685 0.750000 0.576567 P\n0.723752 0.750000 0.077473 C\n0.276248 0.250000 0.922527 C\n0.464151 0.250000 0.824668 O\n0.202607 0.938600 0.658091 O\n0.202607 0.561400 0.658091 O\n0.820902 0.250000 0.583186 O\n0.591860 0.750000 0.564193 O\n0.408139 0.250000 0.435807 O\n0.952424 0.750000 0.138094 O\n0.797393 0.438600 0.341909 O\n0.797393 0.061400 0.341909 O\n0.535848 0.750000 0.175332 O\n0.047575 0.250000 0.861906 O\n0.316742 0.250000 0.059251 O\n0.179098 0.750000 0.416814 O\n0.683257 0.750000 0.940749 O\n",
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],
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}