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{
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{
"id": "mp-542168",
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"structure_string": "Cs8 Co4 Si4 O16\n1.0\n2.944257 6.419653 -0.000010\n-8.832341 6.419453 -0.000012\n0.000002 -0.000014 8.232891\nCs Co Si O\n8 4 4 16\ndirect\n0.885095 0.961701 0.273411 Cs\n0.385101 0.461699 0.273407 Cs\n0.114900 0.038302 0.773408 Cs\n0.614903 0.538300 0.773408 Cs\n0.608394 0.202776 0.917028 Cs\n0.108389 0.702775 0.917025 Cs\n0.391604 0.797227 0.417026 Cs\n0.891610 0.297224 0.417029 Cs\n0.810434 0.603487 0.194049 Co\n0.689570 0.896510 0.694052 Co\n0.310430 0.103480 0.194055 Co\n0.189570 0.396522 0.694058 Co\n0.452072 0.150688 0.478879 Si\n0.952072 0.650685 0.478880 Si\n0.547928 0.849315 0.978882 Si\n0.047930 0.349311 0.978882 Si\n0.530168 0.176702 0.292777 O\n0.030169 0.676696 0.292775 O\n0.469832 0.823301 0.792776 O\n0.969833 0.323298 0.792778 O\n0.260860 0.086964 0.437577 O\n0.760860 0.586966 0.437582 O\n0.739138 0.913036 0.937583 O\n0.239143 0.413033 0.937580 O\n0.622719 0.055516 0.579896 O\n0.122709 0.555512 0.579898 O\n0.377294 0.944489 0.079897 O\n0.877281 0.444485 0.079895 O\n0.394662 0.283609 0.579873 O\n0.894662 0.783607 0.579875 O\n0.605340 0.716396 0.079877 O\n0.105334 0.216391 0.079876 O\n",
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{
"id": "mp-1044107",
"created_at": "2022-09-04T14:40:54.690562Z",
"structure_string": "La4 Ta4 Zn4 Fe4 O24\n1.0\n-0.000158 0.045514 7.932559\n5.981161 5.459919 0.030176\n-5.973069 5.451191 0.030869\nLa Ta Zn Fe O\n4 4 4 4 24\ndirect\n0.252594 0.522687 0.453600 La\n0.252791 0.022634 0.953633 La\n0.752702 0.453341 0.022308 La\n0.753336 0.953469 0.522534 La\n0.496535 0.267423 0.730817 Ta\n0.496651 0.767232 0.230838 Ta\n0.996721 0.731075 0.767753 Ta\n0.996702 0.231311 0.267329 Ta\n0.247949 0.434029 0.047321 Zn\n0.248235 0.933801 0.547556 Zn\n0.748019 0.547436 0.433734 Zn\n0.748145 0.047475 0.933551 Zn\n0.005556 0.254903 0.732498 Fe\n0.505578 0.231932 0.254816 Fe\n0.005418 0.755135 0.233568 Fe\n0.505691 0.733010 0.754716 Fe\n0.761437 0.333769 0.298733 O\n0.761522 0.833811 0.798716 O\n0.261393 0.298485 0.833931 O\n0.261573 0.798832 0.333820 O\n0.939624 0.191350 0.015522 O\n0.939618 0.691239 0.515551 O\n0.439182 0.516144 0.191392 O\n0.439363 0.016077 0.691390 O\n0.553515 0.199563 0.991877 O\n0.553307 0.699398 0.492152 O\n0.053000 0.491744 0.199398 O\n0.053270 0.991366 0.699573 O\n0.736873 0.699390 0.208403 O\n0.736912 0.199440 0.708337 O\n0.236982 0.208770 0.199682 O\n0.236911 0.708350 0.699661 O\n0.552586 0.491391 0.808566 O\n0.553086 0.991284 0.308663 O\n0.052485 0.808886 0.992035 O\n0.052607 0.308875 0.491874 O\n0.952998 0.509310 0.808319 O\n0.953679 0.009437 0.308296 O\n0.453087 0.808121 0.008730 O\n0.452371 0.308077 0.508807 O\n",
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"formula_full": "La4 Ta4 Zn4 Fe4 O24",
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{
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"created_at": "2022-09-04T14:48:18.831080Z",
"structure_string": "B12 As2\n1.0\n4.354687 -3.080704 0.000000\n4.354687 3.080704 0.000000\n2.175257 0.000000 4.870554\nB As\n12 2\ndirect\n0.015386 0.015386 0.324736 B\n0.324736 0.015386 0.015386 B\n0.271746 0.822260 0.822260 B\n0.822260 0.822260 0.271746 B\n0.822260 0.271746 0.822260 B\n0.177740 0.728254 0.177740 B\n0.728254 0.177740 0.177740 B\n0.177740 0.177740 0.728254 B\n0.675264 0.984614 0.984614 B\n0.984614 0.984614 0.675264 B\n0.984614 0.675264 0.984614 B\n0.015386 0.324736 0.015386 B\n0.601030 0.601030 0.601030 As\n0.398970 0.398970 0.398970 As\n",
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"elements": [
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"formula_full": "B12 As2",
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{
"id": "mp-757962",
"created_at": "2022-09-04T14:43:37.342450Z",
"structure_string": "Li6 Co6 P6 O24\n1.0\n3.792867 -6.569439 0.000000\n3.792867 6.569439 0.000000\n0.000000 0.000000 9.719950\nLi Co P O\n6 6 6 24\ndirect\n0.056488 0.590962 0.486732 Li\n0.534474 0.943512 0.486732 Li\n0.409038 0.465526 0.486732 Li\n0.465526 0.409038 0.986732 Li\n0.590962 0.056488 0.986732 Li\n0.943512 0.534474 0.986732 Li\n0.223841 0.949491 0.267068 Co\n0.050509 0.274350 0.267068 Co\n0.274350 0.050509 0.767068 Co\n0.725650 0.776159 0.267068 Co\n0.776159 0.725650 0.767068 Co\n0.949491 0.223841 0.767068 Co\n0.333333 0.666667 0.185830 P\n0.000000 0.000000 0.001064 P\n0.000000 0.000000 0.501064 P\n0.333333 0.666667 0.769972 P\n0.666667 0.333333 0.685830 P\n0.666667 0.333333 0.269972 P\n0.085463 0.864952 0.449274 O\n0.190761 0.744437 0.131049 O\n0.376894 0.876462 0.828548 O\n0.123538 0.500433 0.828548 O\n0.255563 0.446324 0.131049 O\n0.333333 0.666667 0.344309 O\n0.000000 0.000000 0.165888 O\n0.000000 0.000000 0.665888 O\n0.333333 0.666667 0.612017 O\n0.135048 0.220511 0.449274 O\n0.220511 0.135048 0.949274 O\n0.553676 0.809239 0.131049 O\n0.499567 0.623106 0.828548 O\n0.779489 0.914537 0.449274 O\n0.446324 0.255563 0.631049 O\n0.500433 0.123538 0.328548 O\n0.623106 0.499567 0.328548 O\n0.809239 0.553676 0.631049 O\n0.666667 0.333333 0.844309 O\n0.666667 0.333333 0.112017 O\n0.914537 0.779489 0.949274 O\n0.744437 0.190761 0.631049 O\n0.876462 0.376894 0.328548 O\n0.864952 0.085463 0.949274 O\n",
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"formula_full": "Li6 Co6 P6 O24",
"formula_reduced": "LiCoPO4",
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},
{
"id": "mp-753709",
"created_at": "2022-09-04T14:44:55.368795Z",
"structure_string": "Ba2 Ca2 I8\n1.0\n7.573148 5.262162 0.000000\n-7.573148 5.262162 0.000000\n0.000000 4.354911 6.433319\nBa Ca I\n2 2 8\ndirect\n0.634578 0.365422 0.750000 Ba\n0.365422 0.634578 0.250000 Ba\n0.002399 0.997601 0.250000 Ca\n0.997601 0.002399 0.750000 Ca\n0.647865 0.770834 0.718824 I\n0.941709 0.284261 0.420549 I\n0.229166 0.352135 0.781176 I\n0.715739 0.058291 0.079451 I\n0.284261 0.941709 0.920549 I\n0.770834 0.647865 0.218824 I\n0.058291 0.715739 0.579451 I\n0.352135 0.229166 0.281176 I\n",
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"density": 4.436887630416434,
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"formula_full": "Ba2 Ca2 I8",
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{
"id": "mp-543034",
"created_at": "2022-09-04T14:41:45.505165Z",
"structure_string": "Ba3 Zn6 Si4 Te1 O20\n1.0\n5.838862 8.091432 0.000000\n-5.838862 8.091432 0.000000\n0.000000 1.552168 4.971907\nBa Zn Si Te O\n3 6 4 1 20\ndirect\n0.787018 0.787018 0.747496 Ba\n0.212982 0.212982 0.252504 Ba\n0.500000 0.500000 0.000000 Ba\n0.156133 0.843867 0.500000 Zn\n0.843867 0.156133 0.500000 Zn\n0.364201 0.923280 0.827632 Zn\n0.076720 0.635799 0.172368 Zn\n0.635799 0.076720 0.172368 Zn\n0.923280 0.364201 0.827632 Zn\n0.519414 0.780602 0.341675 Si\n0.219398 0.480586 0.658325 Si\n0.480586 0.219398 0.658325 Si\n0.780602 0.519414 0.341675 Si\n0.000000 0.000000 0.000000 Te\n0.616819 0.884062 0.341374 O\n0.115938 0.383181 0.658626 O\n0.383181 0.115938 0.658626 O\n0.884062 0.616819 0.341374 O\n0.365545 0.815050 0.550674 O\n0.184950 0.634455 0.449326 O\n0.634455 0.184950 0.449326 O\n0.815050 0.365545 0.550674 O\n0.505445 0.777248 0.036130 O\n0.222752 0.494555 0.963870 O\n0.494555 0.222752 0.963870 O\n0.777248 0.505445 0.036130 O\n0.929930 0.929930 0.366955 O\n0.070070 0.070070 0.633045 O\n0.189011 0.952968 0.107081 O\n0.047032 0.810989 0.892919 O\n0.810989 0.047032 0.892919 O\n0.952968 0.189011 0.107081 O\n0.610045 0.610045 0.463607 O\n0.389955 0.389955 0.536393 O\n",
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"formula_full": "Ba3 Zn6 Si4 Te1 O20",
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{
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"structure_string": "K2 Mo4 Cl14 O4\n1.0\n5.982123 5.697621 0.000000\n-5.982123 5.697621 0.000000\n0.000000 3.457553 10.112818\nK Mo Cl O\n2 4 14 4\ndirect\n0.409177 0.590823 0.250000 K\n0.590823 0.409177 0.750000 K\n0.645651 0.130395 0.162318 Mo\n0.354349 0.869605 0.837682 Mo\n0.869605 0.354349 0.337682 Mo\n0.130395 0.645651 0.662318 Mo\n0.462173 0.794467 0.628324 Cl\n0.806145 0.166104 0.945389 Cl\n0.903174 0.096826 0.250000 Cl\n0.261059 0.429763 0.581603 Cl\n0.738941 0.570237 0.418397 Cl\n0.096826 0.903174 0.750000 Cl\n0.205533 0.537827 0.871676 Cl\n0.833896 0.193855 0.554611 Cl\n0.570237 0.738941 0.918397 Cl\n0.537827 0.205533 0.371676 Cl\n0.193855 0.833896 0.054611 Cl\n0.429763 0.261059 0.081603 Cl\n0.794467 0.462173 0.128324 Cl\n0.166104 0.806145 0.445389 Cl\n0.426352 0.075617 0.794677 O\n0.924383 0.573648 0.705323 O\n0.573648 0.924383 0.205323 O\n0.075617 0.426352 0.294677 O\n",
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{
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"structure_string": "Li12 V4 O12 F4\n1.0\n4.042800 4.243214 0.000000\n-4.042800 4.243214 0.000000\n0.000000 4.235682 8.443068\nLi V O F\n12 4 12 4\ndirect\n0.552716 0.306008 0.138409 Li\n0.306008 0.552716 0.638409 Li\n0.187917 0.936229 0.375430 Li\n0.562106 0.825742 0.121946 Li\n0.174258 0.437894 0.378054 Li\n0.063771 0.812083 0.124570 Li\n0.936229 0.187917 0.875430 Li\n0.825742 0.562106 0.621946 Li\n0.437894 0.174258 0.878054 Li\n0.812083 0.063771 0.624570 Li\n0.693992 0.447284 0.361591 Li\n0.447284 0.693992 0.861591 Li\n0.060095 0.293600 0.121924 V\n0.293600 0.060095 0.621924 V\n0.706400 0.939905 0.378076 V\n0.939905 0.706400 0.878076 V\n0.814367 0.070324 0.139910 O\n0.070324 0.814367 0.639910 O\n0.300316 0.089223 0.118405 O\n0.840614 0.558107 0.114017 O\n0.089223 0.300316 0.618405 O\n0.558107 0.840614 0.614017 O\n0.441893 0.159386 0.385983 O\n0.910777 0.699684 0.381595 O\n0.159386 0.441893 0.885983 O\n0.699684 0.910777 0.881595 O\n0.929676 0.185633 0.360090 O\n0.185633 0.929676 0.860090 O\n0.444993 0.693768 0.367384 F\n0.693768 0.444993 0.867384 F\n0.306232 0.555007 0.132616 F\n0.555007 0.306232 0.632616 F\n",
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{
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{
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]
}