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{
"id": "mp-1188620",
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{
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"structure_string": "V8 O14\n1.0\n5.777931 0.091273 0.873034\n0.535062 5.849550 2.194036\n0.886142 -0.712605 7.599472\nV O\n8 14\ndirect\n0.653378 0.096514 0.288930 V\n0.346620 0.903467 0.711075 V\n0.473794 0.413933 0.837546 V\n0.526238 0.586037 0.162442 V\n0.098931 0.246606 0.259444 V\n0.901041 0.753395 0.740647 V\n0.162387 0.337168 0.606619 V\n0.837582 0.662815 0.393396 V\n0.764766 0.369087 0.336349 O\n0.235221 0.630933 0.663622 O\n0.175915 0.511584 0.333862 O\n0.824049 0.488403 0.666170 O\n0.579718 0.812002 0.267058 O\n0.420269 0.187984 0.732960 O\n0.828829 0.670799 0.973106 O\n0.171225 0.329256 0.026818 O\n0.679083 0.883760 0.566544 O\n0.320942 0.116245 0.433454 O\n0.401156 0.712836 0.922481 O\n0.598868 0.287170 0.077479 O\n0.030416 0.030698 0.725935 O\n0.969572 0.969303 0.274071 O\n",
"nsites": 22,
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{
"id": "mp-1207089",
"created_at": "2022-09-04T14:39:49.391228Z",
"structure_string": "Lu1 In1\n1.0\n3.503097 0.000000 0.000000\n0.000000 3.503097 0.000000\n0.000000 0.000000 4.103310\nLu In\n1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 In\n",
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},
{
"id": "mp-1224004",
"created_at": "2022-09-04T14:39:49.499916Z",
"structure_string": "Ho2 Ga3 Cu1\n1.0\n2.186460 -3.787059 0.000000\n2.186460 3.787059 0.000000\n0.000000 0.000000 7.170240\nHo Ga Cu\n2 3 1\ndirect\n0.333333 0.666667 0.731138 Ho\n0.333333 0.666667 0.260373 Ho\n0.666667 0.333333 0.475216 Ga\n0.666667 0.333333 0.045987 Ga\n0.000000 0.000000 0.949910 Ga\n0.000000 0.000000 0.537375 Cu\n",
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"formula_full": "Ho2 Ga3 Cu1",
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{
"id": "mp-557154",
"created_at": "2022-09-04T14:39:49.335860Z",
"structure_string": "Na16 Ga16 O32\n1.0\n5.398047 0.000000 0.000000\n0.000000 10.782527 0.000000\n0.000000 0.000000 14.909757\nNa Ga O\n16 16 32\ndirect\n0.280149 0.484222 0.436939 Na\n0.185376 0.726842 0.810456 Na\n0.219851 0.515778 0.936939 Na\n0.185376 0.773158 0.310456 Na\n0.280149 0.015778 0.936939 Na\n0.814624 0.273158 0.189544 Na\n0.780149 0.015778 0.563061 Na\n0.719851 0.515778 0.563061 Na\n0.780149 0.484222 0.063061 Na\n0.314624 0.273158 0.310456 Na\n0.719851 0.984222 0.063061 Na\n0.814624 0.226842 0.689544 Na\n0.685376 0.726842 0.689544 Na\n0.219851 0.984222 0.436939 Na\n0.685376 0.773158 0.189544 Na\n0.314624 0.226842 0.810456 Na\n0.195758 0.722603 0.562091 Ga\n0.195758 0.777397 0.062091 Ga\n0.803309 0.524590 0.312897 Ga\n0.695758 0.777397 0.437909 Ga\n0.696691 0.024590 0.312897 Ga\n0.196691 0.024590 0.187103 Ga\n0.695758 0.722603 0.937909 Ga\n0.804242 0.277397 0.437909 Ga\n0.696691 0.475410 0.812897 Ga\n0.803309 0.975410 0.812897 Ga\n0.196691 0.475410 0.687103 Ga\n0.303309 0.524590 0.187103 Ga\n0.304242 0.277397 0.062091 Ga\n0.303309 0.975410 0.687103 Ga\n0.304242 0.222603 0.562091 Ga\n0.804242 0.222603 0.937909 Ga\n0.276880 0.804680 0.668319 O\n0.133428 0.020533 0.791074 O\n0.366572 0.520533 0.791074 O\n0.866572 0.520533 0.708926 O\n0.792990 0.942836 0.417649 O\n0.633428 0.479467 0.208926 O\n0.207010 0.442836 0.082351 O\n0.352100 0.727729 0.956423 O\n0.792990 0.557164 0.917649 O\n0.366572 0.979467 0.291074 O\n0.852100 0.772271 0.043577 O\n0.647900 0.272271 0.043577 O\n0.647900 0.227729 0.543577 O\n0.223120 0.195320 0.168319 O\n0.707010 0.057164 0.917649 O\n0.707010 0.442836 0.417649 O\n0.852100 0.727729 0.543577 O\n0.633428 0.020533 0.708926 O\n0.276880 0.695320 0.168319 O\n0.776880 0.804680 0.831681 O\n0.723120 0.195320 0.331681 O\n0.207010 0.057164 0.582351 O\n0.352100 0.772271 0.456423 O\n0.147900 0.272271 0.456423 O\n0.292990 0.942836 0.082351 O\n0.147900 0.227729 0.956423 O\n0.133428 0.479467 0.291074 O\n0.776880 0.695320 0.331681 O\n0.866572 0.979467 0.208926 O\n0.723120 0.304680 0.831681 O\n0.223120 0.304680 0.668319 O\n0.292990 0.557164 0.582351 O\n",
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"volume": 867.8162562795374,
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"formula_full": "Na16 Ga16 O32",
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"spacegroup": 61
},
{
"id": "mp-1517628",
"created_at": "2022-09-04T14:39:49.344371Z",
"structure_string": "Ba1 Ca1 Ce1 Zr1 O6\n1.0\n0.000000 -4.326130 -4.326130\n4.326130 -0.000000 -4.326130\n4.326130 -4.326130 0.000000\nBa Ca Ce Zr O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n-0.000000 -0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Zr\n0.743289 0.256711 0.256711 O\n0.256711 0.743289 0.743289 O\n0.743289 0.256711 0.743289 O\n0.256711 0.743289 0.256711 O\n0.743289 0.743289 0.256711 O\n0.256711 0.256711 0.743289 O\n",
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"density": 5.1759411798327255,
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"volume": 161.9305135259408,
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"formula_full": "Ba1 Ca1 Ce1 Zr1 O6",
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"energy": -82.83218906,
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{
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"created_at": "2022-09-04T14:39:49.346510Z",
"structure_string": "Cu4 Si2 Te6\n1.0\n6.336089 3.648028 0.000000\n-6.336089 3.648028 0.000000\n0.000000 2.398593 6.902322\nCu Si Te\n4 2 6\ndirect\n0.166179 0.991342 0.003897 Cu\n0.843014 0.337724 0.000939 Cu\n0.991342 0.166179 0.503897 Cu\n0.337724 0.843014 0.500939 Cu\n0.514805 0.680761 0.987400 Si\n0.680761 0.514805 0.487400 Si\n0.544113 0.369958 0.874429 Te\n0.885311 0.048271 0.877096 Te\n0.048271 0.885311 0.377096 Te\n0.216702 0.707877 0.872675 Te\n0.369958 0.544113 0.374429 Te\n0.707877 0.216702 0.372675 Te\n",
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{
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"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.068472 -0.001118 0.004179\n-2.527925 1.468122 8.009460\n0.001934 -8.785832 -0.003582\nLi Mn P O\n4 4 4 16\ndirect\n0.218575 0.436195 0.072637 Li\n0.718621 0.436318 0.572646 Li\n0.644555 0.290321 0.215088 Li\n0.144578 0.290298 0.715116 Li\n0.519856 0.039343 0.506367 Mn\n0.343392 0.687135 0.781273 Mn\n0.019794 0.039381 0.006363 Mn\n0.843213 0.687000 0.281255 Mn\n0.298709 0.597028 0.432723 P\n0.798683 0.596946 0.932686 P\n0.064586 0.129559 0.355067 P\n0.564587 0.129564 0.855074 P\n0.968417 0.936599 0.323321 O\n0.468375 0.936629 0.823345 O\n0.395307 0.789924 0.464495 O\n0.895268 0.789856 0.964473 O\n0.427543 0.535540 0.281225 O\n0.927608 0.535490 0.781199 O\n0.386726 0.190397 0.374183 O\n0.886758 0.190435 0.874244 O\n0.435471 0.190931 0.006534 O\n0.935477 0.190976 0.506478 O\n0.900477 0.536134 0.072958 O\n0.400510 0.536238 0.572969 O\n0.976573 0.536283 0.413668 O\n0.476497 0.536196 0.913643 O\n0.962706 0.190253 0.214741 O\n0.462735 0.190213 0.714764 O\n",
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{
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"structure_string": "Y16 In4 Ir4\n1.0\n0.000000 6.876174 6.876174\n6.876174 0.000000 6.876174\n6.876174 6.876174 0.000000\nY In Ir\n16 4 4\ndirect\n0.808399 0.191601 0.808399 Y\n0.940361 0.559639 0.559639 Y\n0.559639 0.940361 0.559639 Y\n0.808399 0.191601 0.191601 Y\n0.191601 0.808399 0.191601 Y\n0.348733 0.953802 0.348733 Y\n0.940361 0.940361 0.559639 Y\n0.559639 0.940361 0.940361 Y\n0.191601 0.808399 0.808399 Y\n0.348733 0.348733 0.953802 Y\n0.559639 0.559639 0.940361 Y\n0.348733 0.348733 0.348733 Y\n0.191601 0.191601 0.808399 Y\n0.808399 0.808399 0.191601 Y\n0.940361 0.559639 0.940361 Y\n0.953802 0.348733 0.348733 Y\n0.583149 0.583149 0.583149 In\n0.583149 0.250554 0.583149 In\n0.583149 0.583149 0.250554 In\n0.250554 0.583149 0.583149 In\n0.141003 0.141003 0.576991 Ir\n0.576991 0.141003 0.141003 Ir\n0.141003 0.576991 0.141003 Ir\n0.141003 0.141003 0.141003 Ir\n",
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{
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