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{
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{
"id": "mp-756511",
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"structure_string": "Li4 V4 B4 O16\n1.0\n3.113953 0.000000 0.000000\n0.000000 9.087917 0.000000\n0.000000 0.000000 9.415044\nLi V B O\n4 4 4 16\ndirect\n0.750000 0.121992 0.934921 Li\n0.250000 0.378008 0.434921 Li\n0.750000 0.621992 0.565079 Li\n0.250000 0.878008 0.065079 Li\n0.750000 0.107569 0.290886 V\n0.250000 0.392431 0.790886 V\n0.750000 0.607569 0.209114 V\n0.250000 0.892431 0.709114 V\n0.750000 0.165044 0.614568 B\n0.250000 0.334956 0.114568 B\n0.750000 0.665044 0.885432 B\n0.250000 0.834956 0.385432 B\n0.750000 0.025213 0.130679 O\n0.750000 0.011277 0.632427 O\n0.750000 0.225644 0.484522 O\n0.750000 0.248688 0.741321 O\n0.250000 0.251312 0.241321 O\n0.250000 0.274356 0.984522 O\n0.250000 0.488723 0.132427 O\n0.250000 0.474787 0.630679 O\n0.750000 0.525213 0.369321 O\n0.750000 0.511277 0.867573 O\n0.750000 0.725644 0.015478 O\n0.750000 0.748688 0.758679 O\n0.250000 0.751312 0.258679 O\n0.250000 0.774356 0.515478 O\n0.250000 0.988723 0.367573 O\n0.250000 0.974787 0.869321 O\n",
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{
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"structure_string": "Hg2 H16 C4 Br6 N2\n1.0\n6.520027 0.000000 0.000000\n0.000000 7.181630 0.000000\n0.000000 1.376811 10.337407\nHg H C Br N\n2 16 4 6 2\ndirect\n0.750000 0.405343 0.136540 Hg\n0.250000 0.594657 0.863460 Hg\n0.386410 0.129527 0.375605 H\n0.113590 0.129527 0.375605 H\n0.879551 0.058414 0.822502 H\n0.379551 0.941586 0.177498 H\n0.885911 0.227579 0.605000 H\n0.750000 0.972187 0.485128 H\n0.750000 0.261070 0.813672 H\n0.114089 0.772421 0.395000 H\n0.385911 0.772421 0.395000 H\n0.614089 0.227579 0.605000 H\n0.250000 0.738930 0.186328 H\n0.613590 0.870473 0.624395 H\n0.250000 0.027813 0.514872 H\n0.120449 0.941586 0.177498 H\n0.886410 0.870473 0.624395 H\n0.620449 0.058414 0.822502 H\n0.750000 0.144534 0.637996 C\n0.250000 0.855466 0.362004 C\n0.250000 0.046848 0.408611 C\n0.750000 0.953152 0.591389 C\n0.750000 0.565610 0.891685 Br\n0.750000 0.035572 0.131669 Br\n0.250000 0.434390 0.108315 Br\n0.750000 0.530836 0.353192 Br\n0.250000 0.469164 0.646808 Br\n0.250000 0.964428 0.868331 Br\n0.250000 0.871512 0.216673 N\n0.750000 0.128488 0.783327 N\n",
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"formula_full": "Hg2 H16 C4 Br6 N2",
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{
"id": "mp-680067",
"created_at": "2022-09-04T14:39:32.837402Z",
"structure_string": "Ag8 C4 S4 N4 Cl4 O16\n1.0\n2.405619 7.699669 0.000000\n-2.405619 7.699669 0.000000\n0.000000 6.307750 17.310987\nAg C S N Cl O\n8 4 4 4 4 16\ndirect\n0.858483 0.408432 0.868029 Ag\n0.591568 0.141517 0.631971 Ag\n0.408432 0.858483 0.368029 Ag\n0.141517 0.591568 0.131971 Ag\n0.500000 0.000000 0.500000 Ag\n0.214970 0.785030 0.750000 Ag\n0.785030 0.214970 0.250000 Ag\n0.000000 0.500000 0.000000 Ag\n0.789344 0.269839 0.066110 C\n0.730161 0.210656 0.433890 C\n0.210656 0.730161 0.933890 C\n0.269839 0.789344 0.566110 C\n0.300076 0.834487 0.858106 S\n0.834487 0.300076 0.358106 S\n0.165513 0.699924 0.641894 S\n0.699924 0.165513 0.141894 S\n0.851720 0.344312 0.011580 N\n0.344312 0.851720 0.511580 N\n0.655688 0.148280 0.488420 N\n0.148280 0.655688 0.988420 N\n0.869561 0.492325 0.657195 Cl\n0.507675 0.130439 0.842805 Cl\n0.130439 0.507675 0.342805 Cl\n0.492325 0.869561 0.157195 Cl\n0.549278 0.972806 0.918958 O\n0.332825 0.834783 0.170503 O\n0.450722 0.027194 0.081042 O\n0.575102 0.809487 0.659705 O\n0.424898 0.190513 0.340295 O\n0.972293 0.607641 0.282899 O\n0.027707 0.392359 0.717101 O\n0.834783 0.332825 0.670503 O\n0.027194 0.450722 0.581042 O\n0.809487 0.575102 0.159705 O\n0.607641 0.972293 0.782899 O\n0.392359 0.027707 0.217101 O\n0.667175 0.165217 0.829497 O\n0.165217 0.667175 0.329497 O\n0.972806 0.549278 0.418958 O\n0.190513 0.424898 0.840295 O\n",
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{
"id": "mp-554998",
"created_at": "2022-09-04T14:46:10.476809Z",
"structure_string": "Li4 V4 I8 O32\n1.0\n5.316269 0.000000 0.000000\n0.000000 10.091917 0.000000\n0.000000 6.491614 12.191761\nLi V I O\n4 4 8 32\ndirect\n0.234437 0.763354 0.436363 Li\n0.734437 0.236646 0.063637 Li\n0.765563 0.236646 0.563637 Li\n0.265563 0.763354 0.936363 Li\n0.278026 0.267076 0.950051 V\n0.778026 0.732924 0.549949 V\n0.221974 0.267076 0.450051 V\n0.721974 0.732924 0.049949 V\n0.182517 0.924792 0.169319 I\n0.694958 0.583433 0.328725 I\n0.805042 0.583433 0.828725 I\n0.682517 0.075208 0.330681 I\n0.317483 0.924792 0.669319 I\n0.817483 0.075208 0.830681 I\n0.305042 0.416567 0.671275 I\n0.194958 0.416567 0.171275 I\n0.412822 0.606904 0.578197 O\n0.919355 0.305549 0.176588 O\n0.928406 0.074698 0.706819 O\n0.428406 0.925302 0.793181 O\n0.580645 0.305549 0.676588 O\n0.443279 0.114865 0.564350 O\n0.870906 0.573781 0.697246 O\n0.556721 0.885135 0.435650 O\n0.943279 0.885135 0.935650 O\n0.980302 0.152519 0.468689 O\n0.880124 0.642358 0.481273 O\n0.922912 0.809832 0.160416 O\n0.087178 0.606904 0.078197 O\n0.422912 0.190168 0.339584 O\n0.587178 0.393096 0.421803 O\n0.629094 0.573781 0.197246 O\n0.080645 0.694451 0.823412 O\n0.912822 0.393096 0.921803 O\n0.129094 0.426219 0.302754 O\n0.519698 0.152519 0.968689 O\n0.370906 0.426219 0.802754 O\n0.077088 0.190168 0.839584 O\n0.571594 0.074698 0.206819 O\n0.019698 0.847481 0.531311 O\n0.619876 0.642358 0.981273 O\n0.071594 0.925302 0.293181 O\n0.056721 0.114865 0.064350 O\n0.577088 0.809832 0.660416 O\n0.480302 0.847481 0.031311 O\n0.119876 0.357642 0.518727 O\n0.419355 0.694451 0.323412 O\n0.380124 0.357642 0.018727 O\n",
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"formula_full": "Li4 V4 I8 O32",
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{
"id": "mp-1200889",
"created_at": "2022-09-04T14:41:09.467774Z",
"structure_string": "Ti8 Bi8 O28\n1.0\n7.427269 0.000000 0.000000\n0.000000 7.455122 0.000000\n0.000000 0.000000 10.520724\nTi Bi O\n8 8 28\ndirect\n0.009707 0.004950 0.010175 Ti\n0.990293 0.504950 0.989825 Ti\n0.490293 0.504950 0.510175 Ti\n0.509707 0.004950 0.489825 Ti\n0.239428 0.244957 0.737640 Ti\n0.760572 0.744957 0.262360 Ti\n0.260572 0.744957 0.237640 Ti\n0.739428 0.244957 0.762360 Ti\n0.036818 0.974847 0.470756 Bi\n0.963182 0.474847 0.529244 Bi\n0.463182 0.474847 0.970756 Bi\n0.536818 0.974847 0.029244 Bi\n0.282183 0.291903 0.266274 Bi\n0.717817 0.791903 0.733726 Bi\n0.217817 0.791903 0.766274 Bi\n0.782183 0.291903 0.233726 Bi\n0.190277 0.437189 0.876695 O\n0.809723 0.937189 0.123305 O\n0.309723 0.937189 0.376695 O\n0.690277 0.437189 0.623305 O\n0.702586 0.932233 0.383655 O\n0.297414 0.432233 0.616345 O\n0.797414 0.432233 0.883655 O\n0.202586 0.932233 0.116345 O\n0.789963 0.046336 0.875606 O\n0.210037 0.546336 0.124394 O\n0.710037 0.546336 0.375606 O\n0.289963 0.046336 0.624394 O\n0.328585 0.552635 0.364741 O\n0.671415 0.052635 0.635259 O\n0.171415 0.052635 0.864741 O\n0.828585 0.552635 0.135259 O\n0.987903 0.261653 0.683702 O\n0.012097 0.761653 0.316298 O\n0.512097 0.761653 0.183702 O\n0.487903 0.261653 0.816298 O\n0.504123 0.744962 0.570907 O\n0.495877 0.244962 0.429093 O\n0.995877 0.244962 0.070907 O\n0.004123 0.744962 0.929093 O\n0.983336 0.758215 0.622720 O\n0.016664 0.258215 0.377280 O\n0.516664 0.258215 0.122720 O\n0.483336 0.758215 0.877280 O\n",
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{
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"structure_string": "Cs2 Y1 Cu1 Cl6\n1.0\n0.000000 5.271473 5.271473\n5.271473 0.000000 5.271473\n5.271473 5.271473 0.000000\nCs Y Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Cu\n0.752337 0.247663 0.247663 Cl\n0.247663 0.247663 0.752337 Cl\n0.247663 0.752337 0.752337 Cl\n0.247663 0.752337 0.247663 Cl\n0.752337 0.247663 0.752337 Cl\n0.752337 0.752337 0.247663 Cl\n",
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{
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"created_at": "2022-09-04T14:43:52.872211Z",
"structure_string": "Mg4 Sn2 O8\n1.0\n-3.061504 3.150042 4.347378\n3.061504 -3.150042 4.347378\n3.061504 3.150042 -4.347378\nMg Sn O\n4 2 8\ndirect\n0.612369 0.862369 0.750000 Mg\n0.387631 0.137631 0.250000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.246271 0.261890 0.515618 O\n0.245360 0.263732 0.981628 O\n0.246271 0.730653 0.984382 O\n0.782103 0.263732 0.518372 O\n0.217897 0.736268 0.481628 O\n0.754640 0.736268 0.018372 O\n0.753729 0.269347 0.015618 O\n0.753729 0.738110 0.484382 O\n",
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{
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"structure_string": "Na16 Bi8 O20\n1.0\n5.658842 0.000000 0.000000\n0.000000 9.864903 0.000000\n0.000000 0.000000 14.799731\nNa Bi O\n16 8 20\ndirect\n0.481770 0.857054 0.023651 Na\n0.018230 0.642946 0.023651 Na\n0.250000 0.750000 0.194362 Na\n0.500000 0.078016 0.250000 Na\n0.000000 0.421984 0.250000 Na\n0.750000 0.750000 0.305638 Na\n0.981770 0.642946 0.476349 Na\n0.518230 0.857054 0.476349 Na\n0.481770 0.142946 0.523651 Na\n0.018230 0.357054 0.523651 Na\n0.250000 0.250000 0.694362 Na\n0.000000 0.578016 0.750000 Na\n0.500000 0.921984 0.750000 Na\n0.750000 0.250000 0.805638 Na\n0.981770 0.357054 0.976349 Na\n0.518230 0.142946 0.976349 Na\n0.530377 0.454693 0.116537 Bi\n0.969623 0.045307 0.116537 Bi\n0.030377 0.045307 0.383463 Bi\n0.469623 0.454693 0.383463 Bi\n0.530377 0.545307 0.616537 Bi\n0.969623 0.954693 0.616537 Bi\n0.030377 0.954693 0.883463 Bi\n0.469623 0.545307 0.883463 Bi\n0.052781 0.867793 0.045803 O\n0.447219 0.632207 0.045803 O\n0.897646 0.464571 0.112172 O\n0.602354 0.035429 0.112172 O\n0.000000 0.926137 0.250000 O\n0.500000 0.573863 0.250000 O\n0.102354 0.464571 0.387828 O\n0.397646 0.035429 0.387828 O\n0.552781 0.632207 0.454197 O\n0.947219 0.867793 0.454197 O\n0.052781 0.132207 0.545803 O\n0.447219 0.367793 0.545803 O\n0.602354 0.964571 0.612172 O\n0.897646 0.535429 0.612172 O\n0.000000 0.073863 0.750000 O\n0.500000 0.426137 0.750000 O\n0.102354 0.535429 0.887828 O\n0.397646 0.964571 0.887828 O\n0.552781 0.367793 0.954197 O\n0.947219 0.132207 0.954197 O\n",
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