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{
"id": "mp-1232115",
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"structure_string": "Lu4 Mg2 S8\n1.0\n-4.048509 4.048509 4.176328\n4.048509 -4.048509 4.176328\n4.048509 4.048509 -4.176328\nLu Mg S\n4 2 8\ndirect\n0.875000 0.757450 0.382451 Lu\n0.507450 0.125000 0.882450 Lu\n0.375000 0.492549 0.617549 Lu\n0.242549 0.625000 0.117549 Lu\n0.000000 0.000000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.507951 0.379976 0.259935 S\n0.751984 0.492049 0.872025 S\n0.120041 0.248016 0.740065 S\n0.620024 0.879959 0.127975 S\n0.242049 0.001984 0.372025 S\n0.998016 0.370041 0.240065 S\n0.629959 0.870024 0.627975 S\n0.129976 0.757951 0.759935 S\n",
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{
"id": "mp-646878",
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"structure_string": "In32 Sn8 S32\n1.0\n12.641479 0.000000 0.000000\n0.000000 12.641479 0.000000\n0.000000 0.000000 12.641479\nIn Sn S\n32 8 32\ndirect\n0.768793 0.025897 0.432668 In\n0.525897 0.432668 0.731207 In\n0.231207 0.974103 0.567332 In\n0.229839 0.729839 0.770161 In\n0.567332 0.268793 0.474103 In\n0.768793 0.474103 0.932668 In\n0.229839 0.770161 0.270161 In\n0.432668 0.768793 0.025897 In\n0.932668 0.768793 0.474103 In\n0.474103 0.567332 0.268793 In\n0.268793 0.025897 0.067332 In\n0.932668 0.731207 0.974103 In\n0.770161 0.270161 0.229839 In\n0.025897 0.432668 0.768793 In\n0.567332 0.231207 0.974103 In\n0.268793 0.474103 0.567332 In\n0.731207 0.525897 0.432668 In\n0.729839 0.729839 0.729839 In\n0.231207 0.525897 0.067332 In\n0.025897 0.067332 0.268793 In\n0.525897 0.067332 0.231207 In\n0.974103 0.932668 0.731207 In\n0.270161 0.229839 0.770161 In\n0.432668 0.731207 0.525897 In\n0.729839 0.770161 0.229839 In\n0.474103 0.932668 0.768793 In\n0.731207 0.974103 0.932668 In\n0.770161 0.229839 0.729839 In\n0.067332 0.231207 0.525897 In\n0.974103 0.567332 0.231207 In\n0.067332 0.268793 0.025897 In\n0.270161 0.270161 0.270161 In\n0.600400 0.899600 0.100400 Sn\n0.600400 0.600400 0.600400 Sn\n0.399600 0.100400 0.899600 Sn\n0.899600 0.100400 0.600400 Sn\n0.899600 0.399600 0.100400 Sn\n0.100400 0.899600 0.399600 Sn\n0.100400 0.600400 0.899600 Sn\n0.399600 0.399600 0.399600 Sn\n0.074214 0.256000 0.324356 S\n0.425786 0.756000 0.324356 S\n0.756000 0.175644 0.925786 S\n0.256000 0.324356 0.074214 S\n0.925786 0.756000 0.175644 S\n0.575091 0.424909 0.924909 S\n0.744000 0.824356 0.425786 S\n0.925786 0.744000 0.675644 S\n0.675644 0.925786 0.744000 S\n0.425786 0.744000 0.824356 S\n0.175644 0.925786 0.756000 S\n0.574214 0.256000 0.175644 S\n0.074214 0.244000 0.824356 S\n0.756000 0.324356 0.425786 S\n0.824356 0.074214 0.244000 S\n0.075091 0.424909 0.575091 S\n0.175644 0.574214 0.256000 S\n0.824356 0.425786 0.744000 S\n0.575091 0.075091 0.424909 S\n0.075091 0.075091 0.075091 S\n0.256000 0.175644 0.574214 S\n0.675644 0.574214 0.244000 S\n0.424909 0.575091 0.075091 S\n0.244000 0.675644 0.574214 S\n0.744000 0.675644 0.925786 S\n0.324356 0.425786 0.756000 S\n0.324356 0.074214 0.256000 S\n0.244000 0.824356 0.074214 S\n0.424909 0.924909 0.575091 S\n0.924909 0.924909 0.924909 S\n0.574214 0.244000 0.675644 S\n0.924909 0.575091 0.424909 S\n",
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"formula_full": "In32 Sn8 S32",
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{
"id": "mp-772160",
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"structure_string": "Sr2 La2 I10\n1.0\n10.991378 3.205906 0.000000\n-10.991378 3.205906 0.000000\n0.000000 0.754364 7.944679\nSr La I\n2 2 10\ndirect\n0.675601 0.321803 0.256373 Sr\n0.321803 0.675601 0.756373 Sr\n0.920269 0.079766 0.249392 La\n0.079766 0.920269 0.749392 La\n0.788509 0.712530 0.106529 I\n0.805811 0.199588 0.992848 I\n0.629097 0.369553 0.744375 I\n0.795711 0.190162 0.505751 I\n0.712530 0.788509 0.606529 I\n0.284012 0.207848 0.392051 I\n0.199588 0.805811 0.492848 I\n0.369553 0.629097 0.244375 I\n0.190162 0.795711 0.005751 I\n0.207848 0.284012 0.892051 I\n",
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"density": 5.107367239448533,
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"volume": 559.898466778413,
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"formula_full": "Sr2 La2 I10",
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{
"id": "mp-1212024",
"created_at": "2022-09-04T14:39:25.278176Z",
"structure_string": "K8 Sc4 Sn4 As12 O48\n1.0\n10.577207 0.000000 0.000000\n0.000000 10.577207 0.000000\n0.000000 0.000000 10.577207\nK Sc Sn As O\n8 4 4 12 48\ndirect\n0.818559 0.818559 0.818559 K\n0.681441 0.181441 0.318559 K\n0.181441 0.318559 0.681441 K\n0.318559 0.681441 0.181441 K\n0.045924 0.045924 0.045924 K\n0.454076 0.954076 0.545924 K\n0.954076 0.545924 0.454076 K\n0.545924 0.454076 0.954076 K\n0.610610 0.610610 0.610610 Sc\n0.889390 0.389390 0.110610 Sc\n0.389390 0.110610 0.889390 Sc\n0.110610 0.889390 0.389390 Sc\n0.337361 0.337361 0.337361 Sn\n0.162639 0.662639 0.837361 Sn\n0.662639 0.837361 0.162639 Sn\n0.837361 0.162639 0.662639 Sn\n0.025887 0.205882 0.378954 As\n0.474113 0.794118 0.878954 As\n0.974113 0.705882 0.121046 As\n0.378954 0.025887 0.205882 As\n0.525887 0.294118 0.621046 As\n0.878954 0.474113 0.794118 As\n0.121046 0.974113 0.705882 As\n0.621046 0.525887 0.294118 As\n0.205882 0.378954 0.025887 As\n0.705882 0.121046 0.974113 As\n0.294118 0.621046 0.525887 As\n0.794118 0.878954 0.474113 As\n0.053371 0.804286 0.220660 O\n0.446629 0.195714 0.720660 O\n0.946629 0.304286 0.279340 O\n0.220660 0.053371 0.804286 O\n0.553371 0.695714 0.779340 O\n0.720660 0.446629 0.195714 O\n0.279340 0.946629 0.304286 O\n0.779340 0.553371 0.695714 O\n0.804286 0.220660 0.053371 O\n0.304286 0.279340 0.946629 O\n0.695714 0.779340 0.553371 O\n0.195714 0.720660 0.446629 O\n0.181611 0.243968 0.409820 O\n0.318389 0.756032 0.909820 O\n0.818389 0.743968 0.090180 O\n0.409820 0.181611 0.243968 O\n0.681611 0.256032 0.590180 O\n0.909820 0.318389 0.756032 O\n0.090180 0.818389 0.743968 O\n0.590180 0.681611 0.256032 O\n0.243968 0.409820 0.181611 O\n0.743968 0.090180 0.818389 O\n0.256032 0.590180 0.681611 O\n0.756032 0.909820 0.318389 O\n0.016359 0.054672 0.324343 O\n0.483641 0.945328 0.824343 O\n0.983641 0.554672 0.175657 O\n0.324343 0.016359 0.054672 O\n0.516359 0.445328 0.675657 O\n0.824343 0.483641 0.945328 O\n0.175657 0.983641 0.554672 O\n0.675657 0.516359 0.445328 O\n0.054672 0.324343 0.016359 O\n0.554672 0.175657 0.983641 O\n0.445328 0.675657 0.516359 O\n0.945328 0.824343 0.483641 O\n0.264270 0.475873 0.456253 O\n0.235730 0.524127 0.956253 O\n0.735730 0.975873 0.043747 O\n0.456253 0.264270 0.475873 O\n0.764270 0.024127 0.543747 O\n0.956253 0.235730 0.524127 O\n0.043747 0.735730 0.975873 O\n0.543747 0.764270 0.024127 O\n0.475873 0.456253 0.264270 O\n0.975873 0.043747 0.735730 O\n0.024127 0.543747 0.764270 O\n0.524127 0.956253 0.235730 O\n",
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"formula_full": "K8 Sc4 Sn4 As12 O48",
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{
"id": "mp-1094159",
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"structure_string": "Li3 Mg1\n1.0\n-2.119593 2.119593 4.496241\n2.119593 -2.119593 4.496241\n2.119593 2.119593 -4.496241\nLi Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Li\n0.250000 0.750000 0.500000 Li\n0.750000 0.250000 0.500000 Li\n0.000000 0.000000 0.000000 Mg\n",
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{
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"structure_string": "Co3 Sn2 S2\n1.0\n4.657234 -2.695800 0.000000\n4.657234 2.695800 0.000000\n3.096794 0.000000 4.400799\nCo Sn S\n3 2 2\ndirect\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.719510 0.719510 0.719510 S\n0.280490 0.280490 0.280490 S\n",
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{
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{
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"structure_string": "Li1 Cr4 In4 O12\n1.0\n5.221598 0.052599 -0.000755\n0.054911 5.616388 -0.000799\n-0.001122 -0.001118 7.939434\nLi Cr In O\n1 4 4 12\ndirect\n0.429655 0.231619 0.249880 Li\n0.002676 0.495840 0.998802 Cr\n0.002661 0.495865 0.501193 Cr\n0.498913 0.993962 0.986569 Cr\n0.498931 0.993931 0.513302 Cr\n0.029976 0.934117 0.750000 In\n0.475418 0.437172 0.750035 In\n0.553828 0.611228 0.249859 In\n0.956263 0.063914 0.249981 In\n0.144459 0.437902 0.250045 O\n0.191709 0.196468 0.573016 O\n0.191473 0.196424 0.926950 O\n0.301451 0.693820 0.574105 O\n0.301324 0.693510 0.925986 O\n0.349548 0.937081 0.250620 O\n0.638084 0.065803 0.749591 O\n0.688282 0.300473 0.078345 O\n0.688245 0.300151 0.421743 O\n0.806786 0.799108 0.070329 O\n0.806617 0.799043 0.429718 O\n0.868703 0.560663 0.749932 O\n",
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{
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"structure_string": "Ca4 Cl8\n1.0\n6.340157 0.000000 0.000000\n0.000000 6.977989 0.000000\n0.000000 0.000000 7.714033\nCa Cl\n4 8\ndirect\n0.000000 0.250000 0.846898 Ca\n0.500000 0.250000 0.346898 Ca\n0.000000 0.750000 0.153102 Ca\n0.500000 0.750000 0.653102 Ca\n0.236597 0.421891 0.108576 Cl\n0.736597 0.578109 0.391424 Cl\n0.763403 0.578109 0.891424 Cl\n0.236597 0.921891 0.891424 Cl\n0.736597 0.078109 0.608576 Cl\n0.263403 0.421891 0.608576 Cl\n0.263403 0.921891 0.391424 Cl\n0.763403 0.078109 0.108576 Cl\n",
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{
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{
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}