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{
"id": "mp-1223460",
"created_at": "2022-09-04T14:42:05.166407Z",
"structure_string": "K8 Sn8 Au8 S24\n1.0\n8.293193 0.000000 0.000000\n0.000000 8.293193 0.000000\n0.000000 0.000000 19.554178\nK Sn Au S\n8 8 8 24\ndirect\n0.000000 0.000000 0.401350 K\n0.000000 0.000000 0.901350 K\n0.000000 0.000000 0.599129 K\n0.000000 0.000000 0.099129 K\n0.500000 0.500000 0.242478 K\n0.500000 0.500000 0.742478 K\n0.500000 0.500000 0.452984 K\n0.500000 0.500000 0.952984 K\n0.000000 0.500000 0.088998 Sn\n0.500000 0.000000 0.088998 Sn\n0.000000 0.500000 0.588998 Sn\n0.500000 0.000000 0.588998 Sn\n0.000000 0.500000 0.912149 Sn\n0.500000 0.000000 0.912149 Sn\n0.000000 0.500000 0.412149 Sn\n0.500000 0.000000 0.412149 Sn\n0.002492 0.685380 0.249819 Au\n0.997508 0.314620 0.249819 Au\n0.314620 0.002492 0.249819 Au\n0.685380 0.997508 0.249819 Au\n0.997508 0.685380 0.749819 Au\n0.002492 0.314620 0.749819 Au\n0.685380 0.002492 0.749819 Au\n0.314620 0.997508 0.749819 Au\n0.149946 0.657725 0.999792 S\n0.850054 0.342275 0.999792 S\n0.342275 0.149946 0.999792 S\n0.657725 0.850054 0.999792 S\n0.850054 0.657725 0.499792 S\n0.149946 0.342275 0.499792 S\n0.657725 0.149946 0.499792 S\n0.342275 0.850054 0.499792 S\n0.170837 0.322766 0.155226 S\n0.829163 0.677234 0.155226 S\n0.677234 0.170837 0.155226 S\n0.322766 0.829163 0.155226 S\n0.829163 0.322766 0.655226 S\n0.170837 0.677234 0.655226 S\n0.322766 0.170837 0.655226 S\n0.677234 0.829163 0.655226 S\n0.825314 0.674684 0.845629 S\n0.174686 0.325316 0.845629 S\n0.325316 0.825314 0.845629 S\n0.674684 0.174686 0.845629 S\n0.174686 0.674684 0.345629 S\n0.825314 0.325316 0.345629 S\n0.674684 0.825314 0.345629 S\n0.325316 0.174686 0.345629 S\n",
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"formula_full": "K8 Sn8 Au8 S24",
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},
{
"id": "mp-568591",
"created_at": "2022-09-04T14:42:05.174130Z",
"structure_string": "La6 C2 I10\n1.0\n8.104317 0.000000 0.000000\n-2.585331 9.496362 0.000000\n-1.273396 -3.447114 9.230149\nLa C I\n6 2 10\ndirect\n0.621946 0.861133 0.815791 La\n0.027512 0.729337 0.921711 La\n0.106183 0.039277 0.773976 La\n0.972488 0.270663 0.078289 La\n0.893817 0.960723 0.226024 La\n0.378054 0.138867 0.184209 La\n0.087066 0.030820 0.041555 C\n0.912934 0.969180 0.958445 C\n0.181754 0.727779 0.639147 I\n0.909992 0.628561 0.181984 I\n0.090008 0.371439 0.818016 I\n0.740488 0.913411 0.533712 I\n0.259512 0.086589 0.466288 I\n0.646871 0.534006 0.723200 I\n0.455013 0.809671 0.092149 I\n0.818246 0.272221 0.360853 I\n0.353129 0.465994 0.276800 I\n0.544987 0.190329 0.907851 I\n",
"nsites": 18,
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"elements": [
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"volume": 710.3663706592506,
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"formula_full": "La6 C2 I10",
"formula_reduced": "La3CI5",
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},
{
"id": "mp-1275262",
"created_at": "2022-09-04T14:42:05.175752Z",
"structure_string": "Sr2 La2 V2 Fe2 O12\n1.0\n-3.910888 0.005680 -3.918771\n0.011159 -3.942406 -3.924245\n-3.931634 -7.900385 3.951018\nSr La V Fe O\n2 2 2 2 12\ndirect\n0.375890 0.248444 0.126733 Sr\n0.873731 0.252081 0.624365 Sr\n0.117554 0.763646 0.372079 La\n0.628008 0.744856 0.878702 La\n0.249944 0.499885 0.749672 V\n0.749370 0.500872 0.250681 V\n0.999836 0.000430 0.997761 Fe\n0.499900 0.000185 0.502567 Fe\n0.631607 0.249927 0.373678 O\n0.126995 0.253900 0.872239 O\n0.624414 0.750752 0.373270 O\n0.128421 0.743292 0.873574 O\n0.117383 0.250439 0.373611 O\n0.619822 0.253638 0.872204 O\n0.871699 0.744911 0.124671 O\n0.372290 0.747027 0.627993 O\n0.877501 0.245760 0.127660 O\n0.370723 0.258308 0.625822 O\n0.384829 0.744558 0.124592 O\n0.880084 0.747091 0.628126 O\n",
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"density": 5.8591146335683755,
"density_atomic": 0.0821889707496691,
"volume": 243.34165299278337,
"volume_molar": 7.327188435468083,
"formula_full": "Sr2 La2 V2 Fe2 O12",
"formula_reduced": "SrLaVFeO6",
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"energy": -164.63956852,
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"updated_at": "2021-11-28T01:35:33.105000Z",
"spacegroup": 8
},
{
"id": "mp-850993",
"created_at": "2022-09-04T14:42:05.176986Z",
"structure_string": "Li2 Mn8 P6 O24\n1.0\n4.829186 -8.364396 0.000000\n4.829186 8.364396 0.000000\n0.000000 0.000000 6.209399\nLi Mn P O\n2 8 6 24\ndirect\n0.333333 0.666667 0.028041 Li\n0.666667 0.333333 0.528041 Li\n0.963919 0.696491 0.249222 Mn\n0.333333 0.666667 0.492463 Mn\n0.303509 0.267428 0.249222 Mn\n0.732572 0.036081 0.249222 Mn\n0.267428 0.963919 0.749222 Mn\n0.696491 0.732572 0.749222 Mn\n0.666667 0.333333 0.992463 Mn\n0.036081 0.303509 0.749222 Mn\n0.018965 0.630395 0.749851 P\n0.611430 0.981035 0.749851 P\n0.369605 0.388570 0.749851 P\n0.630395 0.611430 0.249851 P\n0.388570 0.018965 0.249851 P\n0.981035 0.369605 0.249851 P\n0.066741 0.748820 0.554903 O\n0.070911 0.747379 0.945732 O\n0.131058 0.555606 0.740448 O\n0.343832 0.843042 0.253034 O\n0.156958 0.500790 0.253034 O\n0.424549 0.868942 0.740448 O\n0.252621 0.323532 0.945732 O\n0.251180 0.317921 0.554903 O\n0.499210 0.656168 0.253034 O\n0.444394 0.575451 0.740448 O\n0.676468 0.929089 0.945732 O\n0.682079 0.933259 0.554903 O\n0.323532 0.070911 0.445732 O\n0.317921 0.066741 0.054903 O\n0.555606 0.424549 0.240448 O\n0.500790 0.343832 0.753034 O\n0.748820 0.682079 0.054903 O\n0.747379 0.676468 0.445732 O\n0.575451 0.131058 0.240448 O\n0.843042 0.499210 0.753034 O\n0.656168 0.156958 0.753034 O\n0.868942 0.444394 0.240448 O\n0.933259 0.251180 0.054903 O\n0.929089 0.252621 0.445732 O\n",
"nsites": 40,
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"elements": [
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"O"
],
"chemical_system": "Li-Mn-O-P",
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"density_atomic": 0.07973920651558233,
"volume": 501.6352901904454,
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"formula_full": "Li2 Mn8 P6 O24",
"formula_reduced": "LiMn4(PO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -328.96215087,
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},
{
"id": "mp-558998",
"created_at": "2022-09-04T14:42:05.182767Z",
"structure_string": "K8 Cu4 Si16 O40\n1.0\n8.376632 0.000000 0.000000\n0.000000 11.202409 0.000000\n0.000000 4.096308 10.666791\nK Cu Si O\n8 4 16 40\ndirect\n0.250000 0.582613 0.913795 K\n0.750000 0.941649 0.442780 K\n0.750000 0.022902 0.044634 K\n0.250000 0.977098 0.955366 K\n0.750000 0.417387 0.086205 K\n0.250000 0.466411 0.529220 K\n0.250000 0.058351 0.557220 K\n0.750000 0.533589 0.470780 K\n0.497378 0.211392 0.712525 Cu\n0.502622 0.788608 0.287475 Cu\n0.002622 0.211392 0.712525 Cu\n0.997378 0.788608 0.287475 Cu\n0.934336 0.484614 0.750626 Si\n0.443147 0.096346 0.238960 Si\n0.440597 0.750923 0.589420 Si\n0.565664 0.484614 0.750626 Si\n0.559403 0.249077 0.410580 Si\n0.940787 0.728585 0.036270 Si\n0.559213 0.728585 0.036270 Si\n0.059213 0.271415 0.963730 Si\n0.065664 0.515386 0.249374 Si\n0.940597 0.249077 0.410580 Si\n0.943147 0.903654 0.761040 Si\n0.434336 0.515386 0.249374 Si\n0.059403 0.750923 0.589420 Si\n0.440787 0.271415 0.963730 Si\n0.056853 0.096346 0.238960 Si\n0.556853 0.903654 0.761040 Si\n0.998232 0.216832 0.111183 O\n0.001768 0.783168 0.888817 O\n0.458982 0.029816 0.748121 O\n0.053328 0.610744 0.706709 O\n0.250000 0.079150 0.229414 O\n0.532899 0.748823 0.468360 O\n0.967101 0.748823 0.468360 O\n0.979169 0.858145 0.640949 O\n0.501768 0.216832 0.111183 O\n0.041018 0.029816 0.748121 O\n0.032899 0.251177 0.531640 O\n0.014623 0.174310 0.894679 O\n0.946672 0.389256 0.293291 O\n0.970396 0.394945 0.671934 O\n0.529604 0.394945 0.671934 O\n0.531389 0.412646 0.903257 O\n0.750000 0.691963 0.038507 O\n0.470396 0.605055 0.328066 O\n0.029604 0.605055 0.328066 O\n0.020831 0.141855 0.359051 O\n0.250000 0.460299 0.264707 O\n0.520831 0.858145 0.640949 O\n0.541018 0.970184 0.251879 O\n0.446672 0.610744 0.706709 O\n0.467101 0.251177 0.531640 O\n0.968611 0.412646 0.903257 O\n0.985377 0.825690 0.105321 O\n0.750000 0.920850 0.770586 O\n0.250000 0.789531 0.567237 O\n0.468611 0.587354 0.096743 O\n0.750000 0.539701 0.735293 O\n0.498232 0.783168 0.888817 O\n0.958982 0.970184 0.251879 O\n0.485377 0.174310 0.894679 O\n0.514623 0.825690 0.105321 O\n0.250000 0.308037 0.961493 O\n0.479169 0.141855 0.359051 O\n0.553328 0.389256 0.293291 O\n0.031389 0.587354 0.096743 O\n0.750000 0.210469 0.432763 O\n",
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"formula_full": "K8 Cu4 Si16 O40",
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},
{
"id": "mp-1176768",
"created_at": "2022-09-04T14:42:05.252686Z",
"structure_string": "Li4 Cu8 P4 O16\n1.0\n5.581822 0.000000 0.000000\n-0.326233 6.251053 0.000000\n-0.000270 -0.092056 10.209493\nLi Cu P O\n4 8 4 16\ndirect\n0.858145 0.006224 0.748073 Li\n0.669592 0.245856 0.500601 Li\n0.680311 0.247048 0.999619 Li\n0.314359 0.245434 0.247944 Li\n0.749579 0.986698 0.238117 Cu\n0.338446 0.296311 0.747260 Cu\n0.254898 0.515707 0.977379 Cu\n0.250044 0.505206 0.486794 Cu\n0.360618 0.696383 0.726936 Cu\n0.357891 0.755092 0.235040 Cu\n0.632627 0.729316 0.486831 Cu\n0.644051 0.744686 0.000321 Cu\n0.161398 0.011353 0.003350 P\n0.152839 0.011867 0.504921 P\n0.835528 0.480396 0.255349 P\n0.818109 0.500378 0.753602 P\n0.171892 0.010782 0.656488 O\n0.886961 0.012874 0.460643 O\n0.155890 0.995400 0.155044 O\n0.905231 0.017941 0.944930 O\n0.306515 0.206673 0.446485 O\n0.320765 0.215037 0.963082 O\n0.679171 0.282585 0.200577 O\n0.689615 0.290230 0.697779 O\n0.821528 0.497034 0.905158 O\n0.075723 0.503190 0.695793 O\n0.821837 0.488358 0.406868 O\n0.096818 0.477390 0.206433 O\n0.708887 0.713215 0.704720 O\n0.712606 0.680698 0.198715 O\n0.273747 0.810950 0.445969 O\n0.294382 0.819691 0.941773 O\n",
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"formula_full": "Li4 Cu8 P4 O16",
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{
"id": "mp-1173635",
"created_at": "2022-09-04T14:42:05.186867Z",
"structure_string": "Sr18 La2 Mg1 Ru9 O40\n1.0\n3.725491 -0.076925 -1.331246\n-0.396069 3.705177 -1.331246\n3.848334 4.193737 69.090437\nSr La Mg Ru O\n18 2 1 9 40\ndirect\n0.362438 0.362438 0.971412 Sr\n0.354885 0.354885 0.771127 Sr\n0.637562 0.637562 0.828588 Sr\n0.357263 0.357263 0.670981 Sr\n0.644377 0.644377 0.728989 Sr\n0.357798 0.357798 0.570959 Sr\n0.641699 0.641699 0.628782 Sr\n0.357140 0.357140 0.471071 Sr\n0.641932 0.641932 0.528792 Sr\n0.357429 0.357429 0.371062 Sr\n0.642571 0.642571 0.428938 Sr\n0.358068 0.358068 0.271208 Sr\n0.642860 0.642860 0.328929 Sr\n0.358301 0.358301 0.171218 Sr\n0.642202 0.642202 0.229041 Sr\n0.355623 0.355623 0.071011 Sr\n0.642737 0.642737 0.129019 Sr\n0.645115 0.645115 0.028873 Sr\n0.330239 0.330239 0.872556 La\n0.669761 0.669761 0.927444 La\n0.000000 0.000000 0.900000 Mg\n0.001190 0.001190 0.800181 Ru\n0.000153 0.000153 0.699842 Ru\n0.999756 0.999756 0.599882 Ru\n0.999772 0.999772 0.499962 Ru\n0.000000 0.000000 0.400000 Ru\n0.998810 0.998810 0.999819 Ru\n0.000228 0.000228 0.300038 Ru\n0.000244 0.000244 0.200118 Ru\n0.999847 0.999847 0.100158 Ru\n0.133745 0.133745 0.934437 O\n0.166014 0.166014 0.833121 O\n0.500000 0.000000 0.900000 O\n0.162654 0.162654 0.732369 O\n0.833986 0.833986 0.966879 O\n0.499761 0.001548 0.799816 O\n0.163382 0.163382 0.632329 O\n0.866255 0.866255 0.865563 O\n0.000000 0.500000 0.900000 O\n0.500286 0.000538 0.699872 O\n0.000001 0.499877 0.499981 O\n0.162532 0.162532 0.532434 O\n0.839760 0.839760 0.767602 O\n0.001548 0.499761 0.799816 O\n0.499582 0.999435 0.599848 O\n0.162972 0.162972 0.432468 O\n0.837348 0.837348 0.667409 O\n0.000538 0.500286 0.699872 O\n0.499877 0.000001 0.499981 O\n0.162920 0.162920 0.332506 O\n0.835960 0.835960 0.567383 O\n0.999435 0.499582 0.599848 O\n0.500000 0.000000 0.400000 O\n0.000565 0.500418 0.200152 O\n0.164040 0.164040 0.232617 O\n0.837080 0.837080 0.467494 O\n0.500123 0.999999 0.300019 O\n0.162652 0.162652 0.132591 O\n0.837028 0.837028 0.367532 O\n0.000000 0.500000 0.400000 O\n0.500418 0.000565 0.200152 O\n0.998452 0.500239 0.000184 O\n0.160240 0.160240 0.032398 O\n0.837468 0.837468 0.267566 O\n0.999999 0.500123 0.300019 O\n0.499714 0.999462 0.100128 O\n0.836618 0.836618 0.167671 O\n0.500239 0.998452 0.000184 O\n0.837346 0.837346 0.067631 O\n0.999462 0.499714 0.100128 O\n",
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