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{
"id": "mp-771327",
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"structure_string": "Li4 Ti1 Cr5 O12\n1.0\n4.450730 2.568537 0.000000\n-4.450730 2.568537 0.000000\n0.000000 0.008719 10.126058\nLi Ti Cr O\n4 1 5 12\ndirect\n0.847050 0.348436 0.251078 Li\n0.651564 0.152950 0.748922 Li\n0.348436 0.847050 0.251078 Li\n0.152950 0.651564 0.748922 Li\n0.000000 0.000000 0.000000 Ti\n0.834917 0.165083 0.500000 Cr\n0.336004 0.663996 0.000000 Cr\n0.663996 0.336004 0.000000 Cr\n0.165083 0.834917 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.994523 0.331660 0.893168 O\n0.668340 0.005477 0.106832 O\n0.835598 0.492171 0.606113 O\n0.492171 0.835598 0.606113 O\n0.507829 0.164402 0.393887 O\n0.831047 0.831047 0.405954 O\n0.164402 0.507829 0.393887 O\n0.331660 0.994523 0.893168 O\n0.676002 0.676002 0.900347 O\n0.005477 0.668340 0.106832 O\n0.323998 0.323998 0.099653 O\n0.168953 0.168953 0.594046 O\n",
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{
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"structure_string": "Mn4 P16 N8 O48\n1.0\n12.946364 0.000000 0.000000\n0.000000 8.219441 0.000000\n0.000000 6.028756 10.663056\nMn P N O\n4 16 8 48\ndirect\n0.360393 0.739339 0.518965 Mn\n0.139607 0.739339 0.018965 Mn\n0.639607 0.260661 0.481035 Mn\n0.860393 0.260661 0.981035 Mn\n0.090349 0.425725 0.914643 P\n0.409651 0.425725 0.414643 P\n0.909651 0.574275 0.085357 P\n0.590349 0.574275 0.585357 P\n0.192168 0.403735 0.697913 P\n0.307832 0.403735 0.197913 P\n0.807832 0.596265 0.302087 P\n0.692168 0.596265 0.802087 P\n0.325400 0.045130 0.845876 P\n0.174600 0.045130 0.345876 P\n0.674600 0.954870 0.154124 P\n0.825400 0.954870 0.654124 P\n0.433706 0.050608 0.632295 P\n0.066294 0.050608 0.132295 P\n0.566294 0.949392 0.367705 P\n0.933706 0.949392 0.867705 P\n0.128215 0.998968 0.565914 N\n0.371785 0.998968 0.065914 N\n0.871785 0.001032 0.434086 N\n0.628215 0.001032 0.934086 N\n0.385431 0.538164 0.871489 N\n0.114569 0.538164 0.371489 N\n0.614569 0.461836 0.128511 N\n0.885431 0.461836 0.628511 N\n0.106993 0.386561 0.625844 O\n0.393007 0.386561 0.125844 O\n0.893007 0.613439 0.374156 O\n0.606993 0.613439 0.874156 O\n0.265382 0.569040 0.648092 O\n0.234618 0.569040 0.148092 O\n0.734618 0.430960 0.351908 O\n0.765382 0.430960 0.851908 O\n0.269242 0.219174 0.745894 O\n0.230758 0.219174 0.245894 O\n0.730758 0.780826 0.254106 O\n0.769242 0.780826 0.754106 O\n0.160630 0.361088 0.836867 O\n0.339370 0.361088 0.336867 O\n0.839370 0.638912 0.163133 O\n0.660630 0.638912 0.663133 O\n0.263498 0.872832 0.916923 O\n0.236502 0.872832 0.416923 O\n0.736502 0.127168 0.083077 O\n0.763498 0.127168 0.583077 O\n0.379802 0.106577 0.940919 O\n0.120198 0.106577 0.440919 O\n0.620198 0.893423 0.059081 O\n0.879802 0.893423 0.559081 O\n0.420908 0.021271 0.774952 O\n0.079092 0.021271 0.274952 O\n0.579092 0.978729 0.225048 O\n0.920908 0.978729 0.725048 O\n0.370520 0.909707 0.620148 O\n0.129480 0.909707 0.120148 O\n0.629480 0.090293 0.379852 O\n0.870520 0.090293 0.879852 O\n0.548951 0.061606 0.606712 O\n0.951049 0.061606 0.106712 O\n0.451049 0.938394 0.393288 O\n0.048951 0.938394 0.893288 O\n0.385666 0.257231 0.553860 O\n0.114334 0.257231 0.053860 O\n0.614334 0.742769 0.446140 O\n0.885666 0.742769 0.946140 O\n0.128318 0.603531 0.904079 O\n0.371682 0.603531 0.404079 O\n0.871682 0.396469 0.095921 O\n0.628318 0.396469 0.595921 O\n0.977105 0.415713 0.884279 O\n0.522895 0.415713 0.384279 O\n0.022895 0.584287 0.115721 O\n0.477105 0.584287 0.615721 O\n",
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"formula_full": "Mn4 P16 N8 O48",
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},
{
"id": "mp-867980",
"created_at": "2022-09-04T14:41:29.323247Z",
"structure_string": "K16 S40 O60\n1.0\n9.308630 0.000000 0.000000\n0.000000 12.341196 0.000000\n0.000000 0.000000 20.471454\nK S O\n16 40 60\ndirect\n0.752263 0.995777 0.262618 K\n0.747737 0.495777 0.237382 K\n0.747737 0.004223 0.762618 K\n0.752263 0.504223 0.737382 K\n0.247737 0.004223 0.737382 K\n0.252263 0.504223 0.762618 K\n0.252263 0.995777 0.237382 K\n0.247737 0.495777 0.262618 K\n0.878679 0.716663 0.394276 K\n0.621321 0.216663 0.105724 K\n0.621321 0.283337 0.894276 K\n0.878679 0.783337 0.605724 K\n0.121321 0.283337 0.605724 K\n0.378679 0.783337 0.894276 K\n0.378679 0.716663 0.105724 K\n0.121321 0.216663 0.394276 K\n0.951949 0.510905 0.091498 S\n0.548051 0.010905 0.408502 S\n0.548051 0.489095 0.591498 S\n0.951949 0.989095 0.908502 S\n0.048051 0.489095 0.908502 S\n0.451949 0.989095 0.591498 S\n0.451949 0.510905 0.408502 S\n0.048051 0.010905 0.091498 S\n0.975964 0.672180 0.077871 S\n0.524036 0.172180 0.422129 S\n0.524036 0.327820 0.577871 S\n0.975964 0.827820 0.922129 S\n0.024036 0.327820 0.922129 S\n0.475964 0.827820 0.577871 S\n0.475964 0.672180 0.422129 S\n0.024036 0.172180 0.077871 S\n0.869395 0.751716 0.150734 S\n0.630605 0.251716 0.349266 S\n0.630605 0.248284 0.650734 S\n0.869395 0.748284 0.849266 S\n0.130605 0.248284 0.849266 S\n0.369395 0.748284 0.650734 S\n0.369395 0.751716 0.349266 S\n0.130605 0.251716 0.150734 S\n0.735985 0.481593 0.049778 S\n0.764015 0.981593 0.450222 S\n0.764015 0.518407 0.549778 S\n0.735985 0.018407 0.950222 S\n0.264015 0.518407 0.950222 S\n0.235985 0.018407 0.549778 S\n0.235985 0.481593 0.450222 S\n0.264015 0.981593 0.049778 S\n0.027007 0.748952 0.228896 S\n0.472993 0.248952 0.271104 S\n0.472993 0.251048 0.728896 S\n0.027007 0.751048 0.771104 S\n0.972993 0.251048 0.771104 S\n0.527007 0.751048 0.728896 S\n0.527007 0.748952 0.271104 S\n0.972993 0.248952 0.228896 S\n0.718063 0.562589 0.998260 O\n0.781937 0.062589 0.501740 O\n0.781937 0.437411 0.498260 O\n0.718063 0.937411 0.001740 O\n0.281937 0.437411 0.001740 O\n0.218063 0.937411 0.498260 O\n0.218063 0.562589 0.501740 O\n0.281937 0.062589 0.998260 O\n0.640244 0.492590 0.106473 O\n0.859756 0.992590 0.393527 O\n0.859756 0.507410 0.606473 O\n0.640244 0.007410 0.893527 O\n0.359756 0.507410 0.893527 O\n0.140244 0.007410 0.606473 O\n0.140244 0.492590 0.393527 O\n0.359756 0.992590 0.106473 O\n0.755087 0.369864 0.026839 O\n0.744913 0.869864 0.473161 O\n0.744913 0.630136 0.526839 O\n0.755087 0.130136 0.973161 O\n0.244913 0.630136 0.973161 O\n0.255087 0.130136 0.526839 O\n0.255087 0.369864 0.473161 O\n0.244913 0.869864 0.026839 O\n0.167127 0.767274 0.197968 O\n0.332873 0.267274 0.302032 O\n0.332873 0.232726 0.697968 O\n0.167127 0.732726 0.802032 O\n0.832873 0.232726 0.802032 O\n0.667127 0.732726 0.697968 O\n0.667127 0.767274 0.302032 O\n0.832873 0.267274 0.197968 O\n0.012389 0.641390 0.259628 O\n0.487611 0.141390 0.240372 O\n0.487611 0.358610 0.759628 O\n0.012389 0.858610 0.740372 O\n0.987611 0.358610 0.740372 O\n0.512389 0.858610 0.759628 O\n0.512389 0.641390 0.240372 O\n0.987611 0.141390 0.259628 O\n0.978412 0.838703 0.270229 O\n0.521588 0.338703 0.229771 O\n0.521588 0.161297 0.770229 O\n0.978412 0.661297 0.729771 O\n0.021588 0.161297 0.729771 O\n0.478412 0.661297 0.770229 O\n0.478412 0.838703 0.229771 O\n0.021588 0.338703 0.270229 O\n0.662494 0.995765 0.130567 O\n0.837506 0.495765 0.369433 O\n0.837506 0.004235 0.630567 O\n0.662494 0.504235 0.869433 O\n0.337506 0.004235 0.869433 O\n0.162494 0.504235 0.630567 O\n0.162494 0.995765 0.369433 O\n0.337506 0.495765 0.130567 O\n0.570691 0.750000 0.000000 O\n0.929309 0.250000 0.500000 O\n0.429309 0.250000 0.000000 O\n0.070691 0.750000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:41:25.986751Z",
"structure_string": "Rb4 Ce12 Te32\n1.0\n13.081348 0.000000 0.000000\n0.000000 9.134384 0.000000\n0.000000 2.301128 13.987531\nRb Ce Te\n4 12 32\ndirect\n0.091640 0.243357 0.036606 Rb\n0.908360 0.756643 0.963394 Rb\n0.591640 0.256643 0.963394 Rb\n0.408360 0.743357 0.036606 Rb\n0.415527 0.403185 0.352795 Ce\n0.584473 0.596815 0.647205 Ce\n0.915527 0.096815 0.647205 Ce\n0.084473 0.903185 0.352795 Ce\n0.085302 0.420362 0.351413 Ce\n0.914698 0.579638 0.648587 Ce\n0.585302 0.079638 0.648587 Ce\n0.414698 0.920362 0.351413 Ce\n0.249223 0.084834 0.657738 Ce\n0.750777 0.915166 0.342262 Ce\n0.749223 0.415166 0.342262 Ce\n0.250777 0.584834 0.657738 Ce\n0.769673 0.207312 0.170847 Te\n0.230327 0.792688 0.829153 Te\n0.269673 0.292688 0.829153 Te\n0.730327 0.707312 0.170847 Te\n0.408168 0.206157 0.176936 Te\n0.591832 0.793843 0.823064 Te\n0.908168 0.293843 0.823064 Te\n0.091832 0.706157 0.176936 Te\n0.250714 0.455456 0.180298 Te\n0.749286 0.544544 0.819702 Te\n0.750714 0.044544 0.819702 Te\n0.249286 0.955456 0.180298 Te\n0.244590 0.144826 0.417473 Te\n0.755410 0.855174 0.582527 Te\n0.744590 0.355174 0.582527 Te\n0.255410 0.644826 0.417473 Te\n0.422505 0.351159 0.589197 Te\n0.577495 0.648841 0.410803 Te\n0.922505 0.148841 0.410803 Te\n0.077495 0.851159 0.589197 Te\n0.925350 0.963433 0.175501 Te\n0.074650 0.036567 0.824499 Te\n0.425350 0.536567 0.824499 Te\n0.574650 0.463433 0.175501 Te\n0.924699 0.449326 0.176387 Te\n0.075301 0.550674 0.823613 Te\n0.424699 0.050674 0.823613 Te\n0.575301 0.949326 0.176387 Te\n0.085264 0.354067 0.587661 Te\n0.914736 0.645933 0.412339 Te\n0.585264 0.145933 0.412339 Te\n0.414736 0.854067 0.587661 Te\n",
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{
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"structure_string": "Zr1 Cr1 Cu1 S4\n1.0\n1.793693 6.540429 0.000000\n-1.793693 6.540429 0.000000\n0.000000 2.782777 5.404699\nZr Cr Cu S\n1 1 1 4\ndirect\n0.759113 0.759113 0.218861 Zr\n0.241585 0.241585 0.774388 Cr\n0.501275 0.501275 0.490470 Cu\n0.385179 0.385179 0.933772 S\n0.619045 0.619045 0.041730 S\n0.861026 0.861026 0.501737 S\n0.132777 0.132777 0.539042 S\n",
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{
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"structure_string": "Si4 Mo2 O12\n1.0\n4.490002 4.887903 0.000000\n-4.490002 4.887903 0.000000\n0.000000 1.760543 5.163503\nSi Mo O\n4 2 12\ndirect\n0.780740 0.614115 0.260014 Si\n0.385885 0.219260 0.239986 Si\n0.614115 0.780740 0.760014 Si\n0.219260 0.385885 0.739986 Si\n0.899714 0.100286 0.250000 Mo\n0.100286 0.899714 0.750000 Mo\n0.651462 0.636359 0.033582 O\n0.363641 0.348538 0.466418 O\n0.348538 0.363641 0.966418 O\n0.636359 0.651462 0.533582 O\n0.889055 0.384633 0.304648 O\n0.615367 0.110945 0.195352 O\n0.110945 0.615367 0.695352 O\n0.384633 0.889055 0.804648 O\n0.806668 0.949915 0.652026 O\n0.050085 0.193332 0.847974 O\n0.949915 0.806668 0.152026 O\n0.193332 0.050085 0.347974 O\n",
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{
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