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{
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{
"id": "mp-644852",
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"structure_string": "Ba2 Ca2 C4 O12\n1.0\n5.269013 0.000000 0.000000\n0.000000 6.706078 0.000000\n0.000000 2.566497 8.093828\nBa Ca C O\n2 2 4 12\ndirect\n0.005454 0.716237 0.636745 Ba\n0.505454 0.283763 0.363255 Ba\n0.500816 0.211667 0.884235 Ca\n0.000816 0.788333 0.115765 Ca\n0.010167 0.248842 0.117284 C\n0.489246 0.750059 0.380572 C\n0.510167 0.751158 0.882716 C\n0.989246 0.249941 0.619428 C\n0.966668 0.418086 0.154294 O\n0.765573 0.313756 0.650206 O\n0.265573 0.686244 0.349794 O\n0.687778 0.690557 0.316546 O\n0.187778 0.309443 0.683454 O\n0.322142 0.860923 0.914088 O\n0.466668 0.581914 0.845706 O\n0.739741 0.824167 0.882811 O\n0.512416 0.859583 0.481859 O\n0.822142 0.139077 0.085912 O\n0.239741 0.175833 0.117189 O\n0.012416 0.140417 0.518141 O\n",
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{
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"structure_string": "Fe10 O14 F6\n1.0\n4.657671 0.000000 0.000000\n0.000000 4.663667 0.000000\n0.000000 0.035359 15.209073\nFe O F\n10 14 6\ndirect\n0.000054 0.253621 0.850284 Fe\n0.979301 0.215152 0.056772 Fe\n0.018735 0.270922 0.250821 Fe\n0.012910 0.278289 0.444099 Fe\n0.981188 0.262096 0.649474 Fe\n0.479301 0.784848 0.943228 Fe\n0.481188 0.737904 0.350526 Fe\n0.500054 0.746379 0.149716 Fe\n0.512910 0.721711 0.555901 Fe\n0.518735 0.729078 0.749179 Fe\n0.802900 0.443679 0.152474 O\n0.809422 0.458255 0.347053 O\n0.818908 0.436490 0.547139 O\n0.816104 0.432890 0.752670 O\n0.302900 0.556321 0.847526 O\n0.316104 0.567110 0.247330 O\n0.318908 0.563510 0.452861 O\n0.309422 0.541745 0.652947 O\n0.696520 0.947121 0.845935 O\n0.670939 0.932055 0.050457 O\n0.702048 0.936412 0.650979 O\n0.170939 0.067945 0.949543 O\n0.202048 0.063588 0.349021 O\n0.196520 0.052879 0.154065 O\n0.784944 0.449635 0.953286 F\n0.284944 0.550365 0.046714 F\n0.701294 0.952149 0.252500 F\n0.704732 0.951006 0.451199 F\n0.201294 0.047851 0.747500 F\n0.204732 0.048994 0.548801 F\n",
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"formula_full": "Fe10 O14 F6",
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},
{
"id": "mp-626631",
"created_at": "2022-09-04T14:48:26.031758Z",
"structure_string": "Al8 H24 O24\n1.0\n9.459352 0.000000 0.000000\n0.000000 5.235569 0.000000\n0.000000 0.339420 8.672722\nAl H O\n8 24 24\ndirect\n0.515734 0.014718 0.963493 Al\n0.507044 0.523279 0.443935 Al\n0.007044 0.476721 0.556065 Al\n0.015734 0.985282 0.036507 Al\n0.510608 0.009218 0.605457 Al\n0.491810 0.505624 0.099886 Al\n0.991810 0.494376 0.900114 Al\n0.010608 0.990782 0.394543 Al\n0.192560 0.635301 0.349516 H\n0.362893 0.811921 0.249058 H\n0.605140 0.710949 0.797372 H\n0.105140 0.289051 0.202628 H\n0.692560 0.364699 0.650484 H\n0.862893 0.188079 0.750942 H\n0.679918 0.292960 0.251215 H\n0.284638 0.139704 0.821569 H\n0.395364 0.363243 0.760243 H\n0.895364 0.636757 0.239757 H\n0.784638 0.860296 0.178431 H\n0.179918 0.707040 0.748785 H\n0.717239 0.808425 0.479733 H\n0.217239 0.191575 0.520267 H\n0.296214 0.179359 0.080689 H\n0.796214 0.820641 0.919311 H\n0.383237 0.155275 0.356032 H\n0.715742 0.317402 0.983926 H\n0.215742 0.682598 0.016074 H\n0.883237 0.844725 0.643968 H\n0.606487 0.888208 0.225204 H\n0.299813 0.718285 0.564472 H\n0.799813 0.281715 0.435528 H\n0.106487 0.111792 0.774796 H\n0.385456 0.635445 0.280456 O\n0.613518 0.897449 0.783559 O\n0.113518 0.102551 0.216441 O\n0.885456 0.364555 0.719544 O\n0.605191 0.414516 0.268285 O\n0.389713 0.175589 0.776530 O\n0.889713 0.824411 0.223470 O\n0.105191 0.585484 0.731715 O\n0.408146 0.730108 0.974494 O\n0.614280 0.826975 0.460017 O\n0.114280 0.173025 0.539983 O\n0.908146 0.269892 0.025506 O\n0.613037 0.317431 0.584242 O\n0.397302 0.194911 0.100641 O\n0.897302 0.805089 0.899359 O\n0.113037 0.682569 0.415758 O\n0.394885 0.208521 0.462439 O\n0.613045 0.337947 0.958875 O\n0.113045 0.662053 0.041125 O\n0.894885 0.791479 0.537561 O\n0.643878 0.881748 0.119623 O\n0.398984 0.703917 0.596428 O\n0.898984 0.296083 0.403572 O\n0.143878 0.118252 0.880377 O\n",
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"density": 2.4125304347552654,
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"formula_full": "Al8 H24 O24",
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"updated_at": "2021-11-28T01:39:38.027000Z",
"spacegroup": 4
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{
"id": "mp-755772",
"created_at": "2022-09-04T14:48:25.897619Z",
"structure_string": "Fe8 O8 F8\n1.0\n4.770359 0.000000 0.000000\n0.000000 4.763223 0.000000\n0.000000 0.016434 12.347509\nFe O F\n8 8 8\ndirect\n0.504903 0.797559 0.188890 Fe\n0.462932 0.714257 0.437632 Fe\n0.526253 0.777487 0.686141 Fe\n0.494646 0.790540 0.937325 Fe\n0.962932 0.285743 0.562368 Fe\n0.994646 0.209460 0.062675 Fe\n0.026253 0.222513 0.313859 Fe\n0.004903 0.202441 0.811110 Fe\n0.310834 0.932920 0.316137 O\n0.317443 0.940549 0.808689 O\n0.313919 0.949978 0.063218 O\n0.810834 0.067080 0.683863 O\n0.813919 0.050022 0.936782 O\n0.817443 0.059451 0.191311 O\n0.174169 0.430865 0.438352 O\n0.674169 0.569135 0.561648 O\n0.289821 0.950621 0.561950 F\n0.789821 0.049379 0.438050 F\n0.195011 0.453925 0.687800 F\n0.203616 0.445609 0.936152 F\n0.206454 0.446794 0.187598 F\n0.706454 0.553206 0.812402 F\n0.703616 0.554391 0.063848 F\n0.695011 0.546075 0.312200 F\n",
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"formula_full": "Fe8 O8 F8",
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{
"id": "mp-1199880",
"created_at": "2022-09-04T14:48:25.500640Z",
"structure_string": "Rb2 V2 H12 Se2 O18\n1.0\n10.230880 0.000000 0.000000\n0.000000 6.473935 0.000000\n0.000000 2.223145 6.543132\nRb V H Se O\n2 2 12 2 18\ndirect\n0.152006 0.313793 0.180320 Rb\n0.652006 0.686207 0.819680 Rb\n0.997811 0.621290 0.604571 V\n0.497811 0.378710 0.395429 V\n0.204481 0.776210 0.308904 H\n0.704481 0.223790 0.691096 H\n0.851844 0.138414 0.075517 H\n0.351844 0.861586 0.924483 H\n0.858484 0.979093 0.299087 H\n0.358484 0.020907 0.700913 H\n0.260286 0.686023 0.728163 H\n0.760286 0.313977 0.271837 H\n0.075086 0.811738 0.182959 H\n0.575086 0.188262 0.817041 H\n0.759822 0.526907 0.346512 H\n0.259822 0.473093 0.653488 H\n0.998632 0.076973 0.731703 Se\n0.498632 0.923027 0.268297 Se\n0.442258 0.461128 0.157882 O\n0.942258 0.538872 0.842118 O\n0.361679 0.313218 0.540494 O\n0.861679 0.686782 0.459506 O\n0.704889 0.436564 0.286318 O\n0.204889 0.563436 0.713682 O\n0.615338 0.285145 0.689725 O\n0.115338 0.714855 0.310275 O\n0.051068 0.928309 0.583235 O\n0.551068 0.071691 0.416765 O\n0.033972 0.330804 0.568920 O\n0.533972 0.669196 0.431080 O\n0.085333 0.019330 0.943374 O\n0.585333 0.980670 0.056626 O\n0.339783 0.948226 0.219544 O\n0.839783 0.051774 0.780456 O\n0.863229 0.135662 0.216852 O\n0.363229 0.864338 0.783148 O\n",
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{
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"structure_string": "Li2 Nb2 P4 O14\n1.0\n8.709973 0.000000 0.000000\n0.000000 4.985966 0.000000\n0.000000 2.279878 6.780200\nLi Nb P O\n2 2 4 14\ndirect\n0.201168 0.805664 0.676082 Li\n0.701168 0.194336 0.323918 Li\n0.556276 0.791781 0.723160 Nb\n0.056276 0.208219 0.276840 Nb\n0.876212 0.599686 0.529932 P\n0.268097 0.782441 0.082845 P\n0.768097 0.217559 0.917155 P\n0.376212 0.400314 0.470068 P\n0.733065 0.962296 0.851241 O\n0.350818 0.858280 0.885541 O\n0.019436 0.790894 0.498582 O\n0.726577 0.768583 0.500799 O\n0.377110 0.602443 0.594201 O\n0.623892 0.394495 0.921058 O\n0.890696 0.410377 0.758684 O\n0.390696 0.589623 0.241316 O\n0.123892 0.605505 0.078942 O\n0.877110 0.397557 0.405799 O\n0.226577 0.231417 0.499201 O\n0.519436 0.209106 0.501418 O\n0.850818 0.141720 0.114459 O\n0.233065 0.037704 0.148759 O\n",
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{
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"structure_string": "Ca2 La2 Ga6 S14\n1.0\n0.017043 0.000000 6.255510\n9.657177 0.000000 0.026259\n0.000000 9.664085 0.000000\nCa La Ga S\n2 2 6 14\ndirect\n0.513729 0.341771 0.844532 Ca\n0.486271 0.158229 0.344532 Ca\n0.513574 0.652751 0.155693 La\n0.486426 0.847249 0.655693 La\n0.000261 0.496753 0.499820 Ga\n0.999739 0.003247 0.999820 Ga\n0.956627 0.850845 0.350336 Ga\n0.043373 0.649155 0.850336 Ga\n0.958941 0.150608 0.650226 Ga\n0.041059 0.349392 0.150226 Ga\n0.313263 0.138839 0.642091 S\n0.686737 0.361161 0.142091 S\n0.311936 0.855676 0.358472 S\n0.688064 0.644324 0.858472 S\n0.207996 0.497632 0.997641 S\n0.792004 0.002368 0.497640 S\n0.238681 0.420802 0.339156 S\n0.761319 0.079198 0.839156 S\n0.234995 0.584521 0.657648 S\n0.765005 0.915479 0.157648 S\n0.762026 0.659879 0.420452 S\n0.237974 0.840121 0.920452 S\n0.764535 0.341499 0.583932 S\n0.235465 0.158501 0.083932 S\n",
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{
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{
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}