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{
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"structure_string": "Cu4 As2 Cl2 O8\n1.0\n6.660164 0.000000 0.000000\n0.000000 4.918383 0.000000\n0.000000 0.221296 6.929072\nCu As Cl O\n4 2 2 8\ndirect\n0.750000 0.641253 0.266760 Cu\n0.250000 0.358747 0.733240 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.250000 0.491835 0.239706 As\n0.750000 0.508165 0.760294 As\n0.750000 0.167604 0.244563 Cl\n0.250000 0.832396 0.755437 Cl\n0.457970 0.700797 0.199893 O\n0.957970 0.299203 0.800107 O\n0.250000 0.237566 0.063333 O\n0.042030 0.700797 0.199893 O\n0.750000 0.677952 0.546474 O\n0.250000 0.322048 0.453526 O\n0.542030 0.299203 0.800107 O\n0.750000 0.762434 0.936667 O\n",
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{
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"structure_string": "Ga1 As1\n1.0\n0.000000 2.875091 2.875091\n2.875091 0.000000 2.875091\n2.875091 2.875091 0.000000\nGa As\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.750000 0.750000 0.750000 As\n",
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{
"id": "mp-863731",
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"structure_string": "In2 H8 N2 Cl8\n1.0\n-3.582192 3.582192 7.824738\n3.582192 -3.582192 7.824738\n3.582192 3.582192 -7.824738\nIn H N Cl\n2 8 2 8\ndirect\n0.500000 0.500000 0.000000 In\n0.250000 0.750000 0.500000 In\n0.905307 0.291073 0.619509 H\n0.714202 0.094693 0.385766 H\n0.708927 0.328436 0.614234 H\n0.078436 0.964202 0.119509 H\n0.671564 0.285798 0.380491 H\n0.041073 0.921564 0.885766 H\n0.035798 0.155307 0.114234 H\n0.844693 0.958927 0.880491 H\n0.750000 0.250000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.731239 0.346321 0.908614 Cl\n0.096321 0.687707 0.115082 Cl\n0.177375 0.268761 0.615082 Cl\n0.437707 0.822625 0.091386 Cl\n0.312293 0.427375 0.408614 Cl\n0.572625 0.981239 0.884918 Cl\n0.653679 0.562293 0.384918 Cl\n0.018761 0.903679 0.591386 Cl\n",
"nsites": 20,
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"formula_full": "In2 H8 N2 Cl8",
"formula_reduced": "InH4NCl4",
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"spacegroup": 88
},
{
"id": "mp-540540",
"created_at": "2022-09-04T14:40:57.596649Z",
"structure_string": "Pa2 Br6 O2\n1.0\n2.018263 9.057618 0.000000\n-2.018263 9.057618 0.000000\n0.000000 4.379993 9.036682\nPa Br O\n2 6 2\ndirect\n0.196392 0.196392 0.676471 Pa\n0.803608 0.803608 0.323529 Pa\n0.054573 0.054573 0.654114 Br\n0.945427 0.945427 0.345886 Br\n0.325712 0.325712 0.738425 Br\n0.674288 0.674288 0.261575 Br\n0.620800 0.620800 0.914153 Br\n0.379200 0.379200 0.085847 Br\n0.728579 0.728579 0.581010 O\n0.271421 0.271421 0.418990 O\n",
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{
"id": "mp-1194306",
"created_at": "2022-09-04T14:41:01.748246Z",
"structure_string": "Fe4 Se4 O20\n1.0\n-6.111864 0.000000 0.799515\n-0.194511 0.000000 -7.390064\n0.000000 -8.662240 0.000000\nFe Se O\n4 4 20\ndirect\n0.858960 0.033766 0.653463 Fe\n0.358960 0.533766 0.846537 Fe\n0.141040 0.966234 0.346537 Fe\n0.641040 0.466234 0.153463 Fe\n0.584850 0.806854 0.377511 Se\n0.084850 0.306854 0.122489 Se\n0.415150 0.193146 0.622489 Se\n0.915150 0.693146 0.877511 Se\n0.827126 0.959490 0.422656 O\n0.327126 0.459490 0.077344 O\n0.172874 0.040510 0.577344 O\n0.672874 0.540510 0.922656 O\n0.450720 0.002085 0.332613 O\n0.950720 0.502085 0.167387 O\n0.549280 0.997915 0.667387 O\n0.049280 0.497915 0.832613 O\n0.641855 0.732935 0.197647 O\n0.141855 0.232935 0.302353 O\n0.358145 0.267065 0.802353 O\n0.858145 0.767065 0.697647 O\n0.909160 0.095220 0.839163 O\n0.409160 0.595220 0.660837 O\n0.090840 0.904780 0.160837 O\n0.590840 0.404780 0.339163 O\n0.845042 0.262915 0.621014 O\n0.345042 0.762915 0.878986 O\n0.154958 0.737085 0.378986 O\n0.654958 0.237085 0.121014 O\n",
"nsites": 28,
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"elements": [
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"density": 3.6341476443492065,
"density_atomic": 0.0713203045833815,
"volume": 392.59507041595475,
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"formula_full": "Fe4 Se4 O20",
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{
"id": "mp-1018144",
"created_at": "2022-09-04T14:40:55.610562Z",
"structure_string": "La1 H3\n1.0\n0.000000 2.787315 2.787315\n2.787315 0.000000 2.787315\n2.787315 2.787315 0.000000\nLa H\n1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 H\n0.750000 0.750000 0.750000 H\n0.250000 0.250000 0.250000 H\n",
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{
"id": "mp-22965",
"created_at": "2022-09-04T14:40:57.609229Z",
"structure_string": "Bi1 Te1 I1\n1.0\n2.212597 -3.832331 0.000000\n2.212597 3.832331 0.000000\n0.000000 0.000000 7.378065\nBi Te I\n1 1 1\ndirect\n0.333333 0.666667 0.922735 Bi\n0.000000 0.000000 0.691537 Te\n0.666667 0.333333 0.205028 I\n",
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{
"id": "mp-1201270",
"created_at": "2022-09-04T14:42:03.103758Z",
"structure_string": "K18 Er18 F72\n1.0\n7.078371 -12.260099 0.000000\n7.078371 12.260099 0.000000\n0.000000 0.000000 10.282073\nK Er F\n18 18 72\ndirect\n0.053904 0.605114 0.985706 K\n0.551210 0.946096 0.652372 K\n0.394886 0.448790 0.319039 K\n0.553401 0.619785 0.014695 K\n0.066383 0.446599 0.681362 K\n0.380215 0.933617 0.348029 K\n0.728155 0.957246 0.981590 K\n0.229091 0.271845 0.648257 K\n0.042754 0.770909 0.314923 K\n0.211175 0.934255 0.011875 K\n0.723080 0.788825 0.678542 K\n0.065745 0.276920 0.345209 K\n0.895727 0.280506 0.011234 K\n0.384779 0.104273 0.677901 K\n0.719494 0.615221 0.344568 K\n0.398723 0.276199 0.980862 K\n0.877476 0.601277 0.647529 K\n0.723801 0.122524 0.314195 K\n0.222689 0.425695 0.996354 Er\n0.203007 0.777311 0.663021 Er\n0.574305 0.796993 0.329688 Er\n0.064548 0.116310 0.985970 Er\n0.051763 0.935452 0.652637 Er\n0.883690 0.948237 0.319303 Er\n0.539208 0.093239 0.003672 Er\n0.554031 0.460792 0.670339 Er\n0.906761 0.445969 0.337006 Er\n0.392221 0.783607 0.991904 Er\n0.391386 0.607779 0.658571 Er\n0.216393 0.608614 0.325238 Er\n0.878164 0.758627 0.990731 Er\n0.880464 0.121836 0.657398 Er\n0.241373 0.119536 0.324065 Er\n0.720842 0.449562 0.009885 Er\n0.728720 0.279158 0.676552 Er\n0.550438 0.271280 0.343218 Er\n0.269897 0.471622 0.780666 F\n0.201725 0.730103 0.447333 F\n0.528378 0.798275 0.113999 F\n0.210945 0.475944 0.204771 F\n0.264999 0.789055 0.871437 F\n0.524056 0.735001 0.538104 F\n0.928819 0.051494 0.134924 F\n0.122675 0.071181 0.801591 F\n0.948506 0.877325 0.468258 F\n0.062703 0.058927 0.321575 F\n0.996225 0.937297 0.988242 F\n0.941073 0.003775 0.654909 F\n0.536865 0.134443 0.220321 F\n0.597578 0.463135 0.886988 F\n0.865557 0.402422 0.553655 F\n0.602564 0.146907 0.796642 F\n0.544343 0.397436 0.463309 F\n0.853093 0.455657 0.129976 F\n0.393928 0.725205 0.329487 F\n0.331276 0.606072 0.996154 F\n0.274795 0.668724 0.662821 F\n0.257999 0.713978 0.143297 F\n0.455979 0.742001 0.809963 F\n0.286022 0.544021 0.476630 F\n0.871508 0.813741 0.198410 F\n0.942233 0.128492 0.865076 F\n0.186259 0.057767 0.531743 F\n0.925098 0.800764 0.774642 F\n0.875666 0.074902 0.441309 F\n0.199236 0.124334 0.107975 F\n0.622237 0.409153 0.196988 F\n0.786917 0.377763 0.863654 F\n0.590847 0.213083 0.530321 F\n0.728157 0.328617 0.340170 F\n0.600460 0.271843 0.006837 F\n0.671383 0.399540 0.673503 F\n0.063872 0.629449 0.730569 F\n0.565577 0.936128 0.397236 F\n0.370551 0.434423 0.063903 F\n0.056666 0.581469 0.240453 F\n0.524804 0.943334 0.907120 F\n0.418531 0.475196 0.573787 F\n0.557121 0.642674 0.272241 F\n0.085553 0.442879 0.938908 F\n0.357326 0.914447 0.605574 F\n0.408584 0.933529 0.095697 F\n0.524945 0.591416 0.762364 F\n0.066471 0.475055 0.429030 F\n0.726664 0.928544 0.233658 F\n0.201880 0.273336 0.900325 F\n0.071456 0.798120 0.566992 F\n0.737373 0.977718 0.726989 F\n0.240345 0.262627 0.393656 F\n0.022282 0.759655 0.060322 F\n0.089009 0.269036 0.089760 F\n0.180027 0.910991 0.756427 F\n0.730964 0.819973 0.423093 F\n0.216815 0.962492 0.269505 F\n0.745678 0.783185 0.936171 F\n0.037508 0.254322 0.602838 F\n0.907764 0.304752 0.266063 F\n0.396988 0.092236 0.932729 F\n0.695248 0.603012 0.599396 F\n0.745031 0.609789 0.091151 F\n0.864758 0.254969 0.757818 F\n0.390211 0.135242 0.424485 F\n0.401433 0.251065 0.234913 F\n0.849632 0.598567 0.901580 F\n0.748935 0.150368 0.568246 F\n0.420245 0.301941 0.723890 F\n0.881695 0.579755 0.390556 F\n0.698059 0.118305 0.057223 F\n",
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{
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"structure_string": "La6 Be2 In2 S14\n1.0\n5.122640 -8.872673 0.000000\n5.122640 8.872673 0.000000\n0.000000 0.000000 6.153053\nLa Be In S\n6 2 2 14\ndirect\n0.743129 0.136504 0.748874 La\n0.393375 0.256871 0.748874 La\n0.863496 0.606625 0.748874 La\n0.256871 0.863496 0.248874 La\n0.606625 0.743129 0.248874 La\n0.136504 0.393375 0.248874 La\n0.666667 0.333333 0.161352 Be\n0.333333 0.666667 0.661352 Be\n0.000000 0.000000 0.514810 In\n0.000000 0.000000 0.014810 In\n0.843432 0.081631 0.270129 S\n0.238200 0.156568 0.270129 S\n0.918369 0.761800 0.270129 S\n0.156568 0.918369 0.770129 S\n0.761800 0.843432 0.770129 S\n0.081631 0.238200 0.770129 S\n0.885151 0.405201 0.029571 S\n0.520050 0.114849 0.029571 S\n0.594799 0.479950 0.029571 S\n0.114849 0.594799 0.529571 S\n0.479950 0.885151 0.529571 S\n0.405201 0.520050 0.529571 S\n0.666667 0.333333 0.510104 S\n0.333333 0.666667 0.010104 S\n",
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{
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"formula_full": "Li12 Al12 Si12 O48",
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"updated_at": "2021-11-28T01:35:10.495000Z",
"spacegroup": 181
},
{
"id": "mp-30429",
"created_at": "2022-09-04T14:41:01.777708Z",
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{
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]
}