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{
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{
"id": "mp-868032",
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"structure_string": "Pb13 N4 O26\n1.0\n8.818616 -5.247446 0.000000\n8.818616 5.247446 0.000000\n5.696165 0.000000 8.535653\nPb N O\n13 4 26\ndirect\n0.661148 0.819330 0.382524 Pb\n0.382524 0.661148 0.819330 Pb\n0.819330 0.382524 0.661148 Pb\n0.338852 0.180670 0.617476 Pb\n0.617476 0.338852 0.180670 Pb\n0.180670 0.617476 0.338852 Pb\n0.500000 0.500000 0.500000 Pb\n0.921162 0.424592 0.243142 Pb\n0.243142 0.921162 0.424592 Pb\n0.424592 0.243142 0.921162 Pb\n0.078838 0.575408 0.756858 Pb\n0.756858 0.078838 0.575408 Pb\n0.575408 0.756858 0.078838 Pb\n0.069170 0.069170 0.069170 N\n0.930830 0.930830 0.930830 N\n0.278337 0.278337 0.278337 N\n0.721663 0.721663 0.721663 N\n0.770143 0.326031 0.492905 O\n0.492905 0.770143 0.326031 O\n0.326031 0.492905 0.770143 O\n0.229857 0.673969 0.507095 O\n0.507095 0.229857 0.673969 O\n0.673969 0.507095 0.229857 O\n0.596101 0.596101 0.596101 O\n0.403899 0.403899 0.403899 O\n0.161364 0.269549 0.403358 O\n0.403358 0.161364 0.269549 O\n0.269549 0.403358 0.161364 O\n0.838636 0.730451 0.596642 O\n0.596642 0.838636 0.730451 O\n0.730451 0.596642 0.838636 O\n0.859751 0.601363 0.342160 O\n0.342160 0.859751 0.601363 O\n0.601363 0.342160 0.859751 O\n0.140249 0.398637 0.657840 O\n0.657840 0.140249 0.398637 O\n0.398637 0.657840 0.140249 O\n0.794216 0.975956 0.022735 O\n0.022735 0.794216 0.975956 O\n0.975956 0.022735 0.794216 O\n0.205784 0.024044 0.977265 O\n0.977265 0.205784 0.024044 O\n0.024044 0.977265 0.205784 O\n",
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{
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"created_at": "2022-09-04T14:41:34.267059Z",
"structure_string": "Ti10 Cu2 Sb4\n1.0\n-5.227132 5.227132 2.566306\n5.227132 -5.227132 2.566306\n5.227132 5.227132 -2.566306\nTi Cu Sb\n10 2 4\ndirect\n0.574096 0.714652 0.288748 Ti\n0.425904 0.285348 0.711252 Ti\n0.750000 0.250000 0.500000 Ti\n0.250000 0.750000 0.500000 Ti\n0.714652 0.425904 0.140556 Ti\n0.285348 0.574096 0.859444 Ti\n0.925904 0.214652 0.140556 Ti\n0.214652 0.074096 0.288748 Ti\n0.074096 0.785348 0.859444 Ti\n0.785348 0.925904 0.711252 Ti\n0.750000 0.750000 0.000000 Cu\n0.250000 0.250000 0.000000 Cu\n0.335959 0.835959 0.171918 Sb\n0.164041 0.335959 0.500000 Sb\n0.664041 0.164041 0.828082 Sb\n0.835959 0.664041 0.500000 Sb\n",
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"density": 6.469864916007776,
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"volume": 280.4757806563812,
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"formula_full": "Ti10 Cu2 Sb4",
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{
"id": "mp-768814",
"created_at": "2022-09-04T14:41:34.322756Z",
"structure_string": "Y8 Ge4 O20\n1.0\n3.729703 0.000000 0.000000\n0.000000 10.361769 0.000000\n0.000000 0.000000 11.143990\nY Ge O\n8 4 20\ndirect\n0.250000 0.110121 0.223229 Y\n0.250000 0.135810 0.557177 Y\n0.750000 0.364190 0.057177 Y\n0.750000 0.389879 0.723229 Y\n0.250000 0.610121 0.276771 Y\n0.250000 0.635810 0.942823 Y\n0.750000 0.864190 0.442823 Y\n0.750000 0.889879 0.776771 Y\n0.250000 0.174607 0.880910 Ge\n0.750000 0.325393 0.380910 Ge\n0.250000 0.674607 0.619090 Ge\n0.750000 0.825393 0.119090 Ge\n0.750000 0.007247 0.603527 O\n0.250000 0.009262 0.842030 O\n0.250000 0.222777 0.038700 O\n0.750000 0.231011 0.883925 O\n0.750000 0.241957 0.233960 O\n0.250000 0.258043 0.733960 O\n0.250000 0.268989 0.383925 O\n0.750000 0.277223 0.538700 O\n0.750000 0.490738 0.342030 O\n0.250000 0.492753 0.103527 O\n0.750000 0.507247 0.896473 O\n0.250000 0.509262 0.657970 O\n0.250000 0.722777 0.461300 O\n0.750000 0.731011 0.616075 O\n0.750000 0.741957 0.266040 O\n0.250000 0.758043 0.766040 O\n0.250000 0.768989 0.116075 O\n0.750000 0.777223 0.961300 O\n0.750000 0.990738 0.157970 O\n0.250000 0.992753 0.396473 O\n",
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{
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"structure_string": "Ti2 In1 Co1\n1.0\n0.000000 3.177911 3.177911\n3.177911 0.000000 3.177911\n3.177911 3.177911 0.000000\nTi In Co\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 In\n0.500000 0.500000 0.500000 Co\n",
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"volume": 64.18819842378021,
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{
"id": "mp-1216923",
"created_at": "2022-09-04T14:41:34.394099Z",
"structure_string": "Tm1 Mn6 In1 Sn5\n1.0\n2.706225 -4.687318 0.000000\n2.706225 4.687318 0.000000\n0.000000 0.000000 9.028019\nTm Mn In Sn\n1 6 1 5\ndirect\n0.333333 0.666667 0.000000 Tm\n0.333990 0.166995 0.754077 Mn\n0.833005 0.166995 0.754077 Mn\n0.833005 0.666010 0.754077 Mn\n0.333990 0.166995 0.245923 Mn\n0.833005 0.166995 0.245923 Mn\n0.833005 0.666010 0.245923 Mn\n0.000000 0.000000 0.500000 In\n0.666667 0.333333 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n0.333333 0.666667 0.666911 Sn\n0.333333 0.666667 0.333089 Sn\n0.666667 0.333333 0.500000 Sn\n",
"nsites": 13,
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{
"id": "mp-5080",
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"structure_string": "Ba5 Mg18 Si13\n1.0\n7.279901 -12.609159 0.000000\n7.279901 12.609159 0.000000\n0.000000 0.000000 4.503013\nBa Mg Si\n5 18 13\ndirect\n0.000000 0.819914 0.500000 Ba\n0.180086 0.180086 0.500000 Ba\n0.819914 0.000000 0.500000 Ba\n0.666667 0.333333 0.000000 Ba\n0.333333 0.666667 0.000000 Ba\n0.177317 0.372715 0.000000 Mg\n0.804603 0.627285 0.000000 Mg\n0.372715 0.177317 0.000000 Mg\n0.822683 0.195397 0.000000 Mg\n0.195397 0.822683 0.000000 Mg\n0.277635 0.000000 0.500000 Mg\n0.722365 0.722365 0.500000 Mg\n0.000000 0.277635 0.500000 Mg\n0.878088 0.516986 0.500000 Mg\n0.638898 0.121912 0.500000 Mg\n0.483014 0.361102 0.500000 Mg\n0.361102 0.483014 0.500000 Mg\n0.121912 0.638898 0.500000 Mg\n0.516986 0.878088 0.500000 Mg\n0.441887 0.000000 0.000000 Mg\n0.558113 0.558113 0.000000 Mg\n0.000000 0.441887 0.000000 Mg\n0.627285 0.804603 0.000000 Mg\n0.308691 0.833554 0.500000 Si\n0.475137 0.166446 0.500000 Si\n0.691309 0.524863 0.500000 Si\n0.524863 0.691309 0.500000 Si\n0.166446 0.475137 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.165958 0.000000 0.000000 Si\n0.834042 0.834042 0.000000 Si\n0.000000 0.165958 0.000000 Si\n0.629532 0.000000 0.000000 Si\n0.370468 0.370468 0.000000 Si\n0.000000 0.629532 0.000000 Si\n0.833554 0.308691 0.500000 Si\n",
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"formula_full": "Ba5 Mg18 Si13",
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{
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{
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},
{
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{
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{
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]
}