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{
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{
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"structure_string": "Sr2 U4 As4 O40\n1.0\n7.168287 0.000000 0.000000\n0.000000 7.309218 0.000000\n0.000000 1.897831 16.063906\nSr U As O\n2 4 4 40\ndirect\n0.212933 0.000000 0.250000 Sr\n0.787067 0.000000 0.750000 Sr\n0.251023 0.725266 0.062290 U\n0.251023 0.274734 0.437710 U\n0.748977 0.274734 0.937710 U\n0.748977 0.725266 0.562290 U\n0.245422 0.239405 0.006569 As\n0.245422 0.760595 0.493431 As\n0.754578 0.760595 0.993431 As\n0.754578 0.239405 0.506569 As\n0.248157 0.742114 0.949919 O\n0.248157 0.257886 0.550081 O\n0.751843 0.257886 0.050081 O\n0.751843 0.742114 0.449919 O\n0.255164 0.718014 0.178000 O\n0.255164 0.281986 0.322000 O\n0.744836 0.281986 0.822000 O\n0.744836 0.718014 0.678000 O\n0.263932 0.039814 0.075018 O\n0.263932 0.960186 0.424982 O\n0.736068 0.960186 0.924982 O\n0.736068 0.039814 0.575018 O\n0.223059 0.413524 0.069273 O\n0.223059 0.586476 0.430727 O\n0.776941 0.586476 0.930727 O\n0.776941 0.413524 0.569273 O\n0.058187 0.229151 0.941293 O\n0.058187 0.770849 0.558707 O\n0.941813 0.770849 0.058707 O\n0.941813 0.229151 0.441293 O\n0.435515 0.274865 0.942395 O\n0.435515 0.725135 0.557605 O\n0.564485 0.725135 0.057605 O\n0.564485 0.274865 0.442395 O\n0.573510 0.907416 0.307557 O\n0.573510 0.092584 0.192443 O\n0.426490 0.092584 0.692443 O\n0.426490 0.907416 0.807557 O\n0.743478 0.076671 0.201143 O\n0.743478 0.923329 0.298857 O\n0.256522 0.923329 0.798857 O\n0.256522 0.076671 0.701143 O\n0.046019 0.320037 0.198647 O\n0.046019 0.679963 0.301353 O\n0.953981 0.679963 0.801353 O\n0.953981 0.320037 0.698647 O\n0.731723 0.438799 0.227678 O\n0.731723 0.561201 0.272322 O\n0.268277 0.561201 0.772322 O\n0.268277 0.438799 0.727678 O\n",
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{
"id": "mp-1211350",
"created_at": "2022-09-04T14:47:27.784583Z",
"structure_string": "K4 Th8 F36\n1.0\n7.257718 0.000000 0.000000\n0.000000 8.940768 0.000000\n0.000000 0.000000 11.830854\nK Th F\n4 8 36\ndirect\n0.643562 0.036793 0.250000 K\n0.356438 0.963207 0.750000 K\n0.143562 0.463207 0.750000 K\n0.856438 0.536793 0.250000 K\n0.153392 0.174955 0.050290 Th\n0.846608 0.825045 0.949710 Th\n0.653392 0.325045 0.949710 Th\n0.846608 0.825045 0.550290 Th\n0.346608 0.674955 0.050290 Th\n0.153392 0.174955 0.449710 Th\n0.346608 0.674955 0.449710 Th\n0.653392 0.325045 0.550290 Th\n0.198748 0.436782 0.079731 F\n0.801252 0.563218 0.920269 F\n0.698748 0.063218 0.920269 F\n0.801252 0.563218 0.579731 F\n0.301252 0.936782 0.079731 F\n0.198748 0.436782 0.420269 F\n0.301252 0.936782 0.420269 F\n0.698748 0.063218 0.579731 F\n0.075832 0.003831 0.597791 F\n0.924168 0.996169 0.402209 F\n0.575832 0.496169 0.402209 F\n0.924168 0.996169 0.097791 F\n0.424168 0.503831 0.597791 F\n0.075832 0.003831 0.902209 F\n0.424168 0.503831 0.902209 F\n0.575832 0.496169 0.097791 F\n0.471024 0.209920 0.095450 F\n0.528976 0.790080 0.904550 F\n0.971024 0.290080 0.904550 F\n0.528976 0.790080 0.595450 F\n0.028976 0.709920 0.095450 F\n0.471024 0.209920 0.404550 F\n0.028976 0.709920 0.404550 F\n0.971024 0.290080 0.595450 F\n0.161893 0.178648 0.250000 F\n0.838107 0.821352 0.750000 F\n0.661893 0.321352 0.750000 F\n0.338107 0.678648 0.250000 F\n0.355165 0.216663 0.606203 F\n0.644835 0.783337 0.393797 F\n0.855165 0.283337 0.393797 F\n0.644835 0.783337 0.106203 F\n0.144835 0.716663 0.606203 F\n0.355165 0.216663 0.893797 F\n0.144835 0.716663 0.893797 F\n0.855165 0.283337 0.106203 F\n",
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},
{
"id": "mp-781684",
"created_at": "2022-09-04T14:46:31.502735Z",
"structure_string": "Li2 Ni2 H24 S4 O28\n1.0\n11.523735 0.000000 0.000000\n0.000000 5.898454 0.000000\n0.000000 2.078304 8.455598\nLi Ni H S O\n2 2 24 4 28\ndirect\n0.124162 0.653289 0.385153 Li\n0.624162 0.346711 0.614847 Li\n0.001076 0.997505 0.750357 Ni\n0.501076 0.002495 0.249643 Ni\n0.807938 0.016219 0.877941 H\n0.854901 0.669743 0.783143 H\n0.058165 0.316083 0.865742 H\n0.400314 0.065669 0.980921 H\n0.626918 0.089397 0.992463 H\n0.091850 0.672166 0.963955 H\n0.591850 0.327834 0.036045 H\n0.126918 0.910603 0.007537 H\n0.900314 0.934331 0.019079 H\n0.558165 0.683917 0.134258 H\n0.354901 0.330257 0.216857 H\n0.307938 0.983781 0.122059 H\n0.694268 0.019321 0.386202 H\n0.646597 0.674988 0.284315 H\n0.447883 0.318964 0.363278 H\n0.097433 0.078303 0.480383 H\n0.871424 0.090198 0.496415 H\n0.415936 0.674379 0.463633 H\n0.915936 0.325621 0.536367 H\n0.371424 0.909802 0.503585 H\n0.597433 0.921697 0.519617 H\n0.947883 0.681036 0.636722 H\n0.146597 0.325012 0.715685 H\n0.194268 0.980679 0.613798 H\n0.634407 0.726406 0.824368 S\n0.134407 0.273594 0.175632 S\n0.865709 0.726868 0.341410 S\n0.365709 0.273132 0.658590 S\n0.420679 0.247049 0.813654 O\n0.940233 0.708721 0.746536 O\n0.888995 0.041174 0.911215 O\n0.738672 0.576059 0.823657 O\n0.669489 0.970874 0.829984 O\n0.116018 0.836724 0.917540 O\n0.563087 0.621263 0.965677 O\n0.063087 0.378737 0.034323 O\n0.616018 0.163276 0.082460 O\n0.169489 0.029126 0.170016 O\n0.238672 0.423941 0.176343 O\n0.388995 0.958826 0.088785 O\n0.440233 0.291279 0.253464 O\n0.920679 0.752951 0.186346 O\n0.067873 0.266823 0.322443 O\n0.563865 0.712157 0.244476 O\n0.612069 0.045429 0.418407 O\n0.763722 0.566992 0.365275 O\n0.828435 0.956972 0.367499 O\n0.385082 0.831945 0.414322 O\n0.956980 0.623259 0.464834 O\n0.456980 0.376741 0.535166 O\n0.885082 0.168055 0.585678 O\n0.328435 0.043028 0.632501 O\n0.263722 0.433008 0.634725 O\n0.112069 0.954571 0.581593 O\n0.063865 0.287843 0.755524 O\n0.567873 0.733177 0.677557 O\n",
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{
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"created_at": "2022-09-04T14:43:17.561830Z",
"structure_string": "La6 Si12 N22\n1.0\n10.244187 0.000000 0.000000\n0.000000 10.244187 0.000000\n0.000000 0.000000 4.885607\nLa Si N\n6 12 22\ndirect\n0.818772 0.318772 0.008783 La\n0.181228 0.681228 0.008783 La\n0.318772 0.181228 0.008783 La\n0.681228 0.818772 0.008783 La\n0.500000 0.500000 0.997572 La\n0.000000 0.000000 0.997572 La\n0.290960 0.421252 0.534249 Si\n0.709040 0.578748 0.534249 Si\n0.790960 0.078748 0.534249 Si\n0.209040 0.921252 0.534249 Si\n0.578748 0.290960 0.534249 Si\n0.421252 0.709040 0.534249 Si\n0.921252 0.790960 0.534249 Si\n0.078748 0.209040 0.534249 Si\n0.383181 0.883181 0.044821 Si\n0.616819 0.116819 0.044821 Si\n0.883181 0.616819 0.044821 Si\n0.116819 0.383181 0.044821 Si\n0.420434 0.321562 0.642635 N\n0.579566 0.678438 0.642635 N\n0.920434 0.178438 0.642635 N\n0.079566 0.821562 0.642635 N\n0.678438 0.420434 0.642635 N\n0.321562 0.579566 0.642635 N\n0.821562 0.920434 0.642635 N\n0.178438 0.079566 0.642635 N\n0.267956 0.425203 0.181201 N\n0.732044 0.574797 0.181201 N\n0.767956 0.074797 0.181201 N\n0.232044 0.925203 0.181201 N\n0.574797 0.267956 0.181201 N\n0.425203 0.732044 0.181201 N\n0.925203 0.767956 0.181201 N\n0.074797 0.232044 0.181201 N\n0.345812 0.845812 0.698849 N\n0.654188 0.154188 0.698849 N\n0.845812 0.654188 0.698849 N\n0.154188 0.345812 0.698849 N\n0.000000 0.500000 0.069103 N\n0.500000 0.000000 0.069103 N\n",
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"formula_full": "La6 Si12 N22",
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},
{
"id": "mp-542284",
"created_at": "2022-09-04T14:41:17.354188Z",
"structure_string": "Rb4 Co2 H24 Se4 O28\n1.0\n12.731807 0.000000 0.000000\n0.000000 6.456322 0.000000\n0.000000 2.329469 9.082199\nRb Co H Se O\n4 2 24 4 28\ndirect\n0.346051 0.656428 0.131431 Rb\n0.846051 0.343572 0.368569 Rb\n0.653949 0.343572 0.868569 Rb\n0.153949 0.656428 0.631431 Rb\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.087677 0.689290 0.199435 H\n0.587677 0.310710 0.300565 H\n0.912323 0.310710 0.800565 H\n0.412323 0.689290 0.699435 H\n0.124177 0.910300 0.235500 H\n0.624177 0.089700 0.264500 H\n0.875823 0.089700 0.764500 H\n0.375823 0.910300 0.735500 H\n0.096329 0.072892 0.728841 H\n0.596329 0.927108 0.771159 H\n0.903671 0.927108 0.271159 H\n0.403671 0.072892 0.228841 H\n0.184372 0.998993 0.850253 H\n0.684372 0.001007 0.649747 H\n0.815628 0.001007 0.149747 H\n0.315628 0.998993 0.350253 H\n0.944914 0.677919 0.899396 H\n0.444914 0.322081 0.600604 H\n0.055086 0.322081 0.100604 H\n0.555086 0.677919 0.399396 H\n0.865252 0.688171 0.027510 H\n0.365252 0.311829 0.472490 H\n0.134748 0.311829 0.972490 H\n0.634748 0.688171 0.527510 H\n0.140634 0.267762 0.400854 Se\n0.640634 0.732238 0.099146 Se\n0.859366 0.732238 0.599146 Se\n0.359366 0.267762 0.900854 Se\n0.246659 0.416778 0.412955 O\n0.746659 0.583222 0.087045 O\n0.753341 0.583222 0.587045 O\n0.253341 0.416778 0.912955 O\n0.069426 0.230030 0.554763 O\n0.569426 0.769970 0.945237 O\n0.930574 0.769970 0.445237 O\n0.430574 0.230030 0.054763 O\n0.066172 0.403871 0.260134 O\n0.566172 0.596129 0.239866 O\n0.933828 0.596129 0.739866 O\n0.433828 0.403871 0.760134 O\n0.179032 0.032362 0.370408 O\n0.679032 0.967638 0.129592 O\n0.820968 0.967638 0.629592 O\n0.320968 0.032362 0.870408 O\n0.108827 0.839874 0.154742 O\n0.608827 0.160126 0.345258 O\n0.891173 0.160126 0.845258 O\n0.391173 0.839874 0.654742 O\n0.110219 0.972018 0.826312 O\n0.610219 0.027982 0.673688 O\n0.889781 0.027982 0.173688 O\n0.389781 0.972018 0.326312 O\n0.939794 0.717387 0.995528 O\n0.439794 0.282613 0.504472 O\n0.060206 0.282613 0.004472 O\n0.560206 0.717387 0.495528 O\n",
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"formula_full": "Rb4 Co2 H24 Se4 O28",
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}