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{
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"results": [
{
"id": "mp-1112353",
"created_at": "2022-09-04T14:39:06.974235Z",
"structure_string": "Cs3 Sb1 Cl6\n1.0\n0.000000 5.938787 5.938787\n5.938787 0.000000 5.938787\n5.938787 5.938787 0.000000\nCs Sb Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Sb\n0.775409 0.224591 0.224591 Cl\n0.224591 0.224591 0.775409 Cl\n0.224591 0.775409 0.775409 Cl\n0.224591 0.775409 0.224591 Cl\n0.775409 0.224591 0.775409 Cl\n0.775409 0.775409 0.224591 Cl\n",
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{
"id": "mp-1112317",
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"structure_string": "Cs1 K2 In1 F6\n1.0\n0.000000 4.879434 4.879434\n4.879434 0.000000 4.879434\n4.879434 4.879434 0.000000\nCs K In F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 In\n0.784385 0.215615 0.215615 F\n0.215615 0.215615 0.784385 F\n0.215615 0.784385 0.784385 F\n0.215615 0.784385 0.215615 F\n0.784385 0.215615 0.784385 F\n0.784385 0.784385 0.215615 F\n",
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{
"id": "mp-561246",
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"structure_string": "Al8 Si8 Pb8 O36\n1.0\n6.971686 0.000000 0.000000\n0.000000 9.867202 0.000000\n0.000000 0.000000 10.845604\nAl Si Pb O\n8 8 8 36\ndirect\n0.500000 0.500000 0.000000 Al\n0.500000 0.250000 0.853576 Al\n0.000000 0.250000 0.353576 Al\n0.500000 0.750000 0.146424 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.750000 0.646424 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.716995 0.251315 0.588256 Si\n0.216995 0.248685 0.088256 Si\n0.283005 0.748685 0.411744 Si\n0.216995 0.748685 0.911744 Si\n0.716995 0.751315 0.411744 Si\n0.283005 0.248685 0.588256 Si\n0.783005 0.751315 0.911744 Si\n0.783005 0.251315 0.088256 Si\n0.049739 0.548970 0.196164 Pb\n0.049739 0.048970 0.803836 Pb\n0.450261 0.048970 0.303836 Pb\n0.549739 0.951030 0.696164 Pb\n0.950261 0.951030 0.196164 Pb\n0.549739 0.451030 0.303836 Pb\n0.950261 0.451030 0.803836 Pb\n0.450261 0.548970 0.696164 Pb\n0.692464 0.903716 0.894285 O\n0.390862 0.577846 0.140747 O\n0.307536 0.596284 0.894285 O\n0.609138 0.422154 0.859253 O\n0.500000 0.750000 0.477391 O\n0.890862 0.422154 0.359253 O\n0.347473 0.836837 0.007230 O\n0.307536 0.096284 0.105715 O\n0.684780 0.183822 0.725954 O\n0.184780 0.816178 0.774046 O\n0.347473 0.336837 0.992770 O\n0.152527 0.836837 0.507230 O\n0.109138 0.077846 0.359253 O\n0.847473 0.663163 0.507230 O\n0.684780 0.683822 0.274046 O\n0.315220 0.316178 0.725954 O\n0.192464 0.096284 0.605715 O\n0.315220 0.816178 0.274046 O\n0.184780 0.316178 0.225954 O\n0.390862 0.077846 0.859253 O\n0.000000 0.750000 0.977391 O\n0.890862 0.922154 0.640747 O\n0.847473 0.163163 0.492770 O\n0.109138 0.577846 0.640747 O\n0.807536 0.403716 0.605715 O\n0.152527 0.336837 0.492770 O\n0.609138 0.922154 0.140747 O\n0.192464 0.596284 0.394285 O\n0.692464 0.403716 0.105715 O\n0.815220 0.683822 0.774046 O\n0.807536 0.903716 0.394285 O\n0.652527 0.163163 0.992770 O\n0.652527 0.663163 0.007230 O\n0.000000 0.250000 0.022609 O\n0.815220 0.183822 0.225954 O\n0.500000 0.250000 0.522609 O\n",
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],
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"formula_full": "Al8 Si8 Pb8 O36",
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"spacegroup": 60
},
{
"id": "mp-530933",
"created_at": "2022-09-04T14:40:13.098917Z",
"structure_string": "Li40 P16 N40\n1.0\n8.632802 0.000000 0.000000\n0.000000 8.879285 0.000000\n0.000000 0.000000 12.432934\nLi P N\n40 16 40\ndirect\n0.250000 0.822676 0.283376 Li\n0.250000 0.011489 0.385084 Li\n0.524521 0.174032 0.600436 Li\n0.750000 0.488511 0.885084 Li\n0.750000 0.677324 0.783376 Li\n0.524521 0.674032 0.899564 Li\n0.445326 0.684344 0.122888 Li\n0.054674 0.684344 0.122888 Li\n0.250000 0.757443 0.747283 Li\n0.554674 0.815656 0.622888 Li\n0.500000 0.000000 0.000000 Li\n0.750000 0.964633 0.823481 Li\n0.750000 0.007409 0.432192 Li\n0.445326 0.184344 0.377112 Li\n0.975479 0.174032 0.600436 Li\n0.054674 0.184344 0.377112 Li\n0.750000 0.242557 0.252717 Li\n0.024521 0.325968 0.100436 Li\n0.554674 0.315656 0.877112 Li\n0.475479 0.325968 0.100436 Li\n0.500000 0.500000 0.500000 Li\n0.750000 0.507409 0.067808 Li\n0.250000 0.511489 0.114916 Li\n0.250000 0.535367 0.323481 Li\n0.750000 0.464633 0.676519 Li\n0.250000 0.492591 0.932192 Li\n0.000000 0.500000 0.500000 Li\n0.975479 0.674032 0.899564 Li\n0.750000 0.742557 0.247283 Li\n0.945326 0.815656 0.622888 Li\n0.475479 0.825968 0.399564 Li\n0.024521 0.825968 0.399564 Li\n0.000000 0.000000 0.000000 Li\n0.250000 0.992591 0.567808 Li\n0.750000 0.988511 0.614916 Li\n0.250000 0.035367 0.176519 Li\n0.750000 0.177324 0.716624 Li\n0.250000 0.257443 0.752717 Li\n0.945326 0.315656 0.877112 Li\n0.250000 0.322676 0.216624 Li\n0.416574 0.507791 0.706749 P\n0.250000 0.840387 0.952842 P\n0.750000 0.837043 0.040537 P\n0.416574 0.007791 0.793251 P\n0.583426 0.992209 0.206749 P\n0.916574 0.992209 0.206749 P\n0.250000 0.162957 0.959463 P\n0.750000 0.159613 0.047158 P\n0.750000 0.337043 0.459463 P\n0.250000 0.340387 0.547158 P\n0.916574 0.492209 0.293251 P\n0.583426 0.492209 0.293251 P\n0.083426 0.507791 0.706749 P\n0.750000 0.659613 0.452842 P\n0.250000 0.662957 0.540537 P\n0.083426 0.007791 0.793251 P\n0.405822 0.354124 0.628223 N\n0.250000 0.508956 0.777989 N\n0.568593 0.511507 0.780972 N\n0.404670 0.656664 0.622754 N\n0.750000 0.694343 0.961064 N\n0.250000 0.688337 0.022482 N\n0.904670 0.843336 0.122754 N\n0.405822 0.854124 0.871777 N\n0.595330 0.843336 0.122754 N\n0.750000 0.991044 0.277989 N\n0.568593 0.011507 0.719028 N\n0.250000 0.998478 0.026367 N\n0.750000 0.001522 0.973633 N\n0.431407 0.988493 0.280972 N\n0.068593 0.988493 0.280972 N\n0.905822 0.145876 0.128223 N\n0.404670 0.156664 0.877246 N\n0.594178 0.145876 0.128223 N\n0.250000 0.188337 0.477518 N\n0.750000 0.194343 0.538936 N\n0.750000 0.311663 0.977518 N\n0.250000 0.305657 0.038936 N\n0.904670 0.343336 0.377246 N\n0.094178 0.354124 0.628223 N\n0.595330 0.343336 0.377246 N\n0.750000 0.491044 0.222011 N\n0.068593 0.488493 0.219028 N\n0.750000 0.501522 0.526367 N\n0.250000 0.498478 0.473633 N\n0.931407 0.511507 0.780972 N\n0.431407 0.488493 0.219028 N\n0.594178 0.645876 0.371777 N\n0.905822 0.645876 0.371777 N\n0.095330 0.656664 0.622754 N\n0.750000 0.811663 0.522482 N\n0.250000 0.805657 0.461064 N\n0.094178 0.854124 0.871777 N\n0.931407 0.011507 0.719028 N\n0.250000 0.008956 0.722011 N\n0.095330 0.156664 0.877246 N\n",
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"volume": 953.0230489033704,
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"formula_full": "Li40 P16 N40",
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"energy": -584.55418195,
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{
"id": "mp-18994",
"created_at": "2022-09-04T14:39:33.512664Z",
"structure_string": "Cs4 Mn4 O16\n1.0\n6.003016 0.000000 0.000000\n0.000000 8.162780 0.000000\n0.000000 0.000000 10.228163\nCs Mn O\n4 4 16\ndirect\n0.250000 0.846179 0.810675 Cs\n0.750000 0.153821 0.189325 Cs\n0.750000 0.346179 0.689325 Cs\n0.250000 0.653821 0.310675 Cs\n0.250000 0.294579 0.949140 Mn\n0.750000 0.705421 0.050860 Mn\n0.750000 0.794579 0.550860 Mn\n0.250000 0.205421 0.449140 Mn\n0.529927 0.815495 0.078926 O\n0.029927 0.184505 0.921074 O\n0.470073 0.315495 0.421074 O\n0.970073 0.684505 0.578926 O\n0.470073 0.184505 0.921074 O\n0.970073 0.815495 0.078926 O\n0.529927 0.684505 0.578926 O\n0.029927 0.315495 0.421074 O\n0.250000 0.048332 0.352913 O\n0.750000 0.951668 0.647087 O\n0.750000 0.548332 0.147087 O\n0.250000 0.451668 0.852913 O\n0.250000 0.147743 0.600345 O\n0.750000 0.852257 0.399655 O\n0.750000 0.647743 0.899655 O\n0.250000 0.352257 0.100345 O\n",
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"formula_full": "Cs4 Mn4 O16",
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{
"id": "mp-1516690",
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"structure_string": "Ba1 Li1 Ce1 Sb1 O6\n1.0\n0.000000 -4.235196 -4.235196\n4.235196 0.000000 -4.235196\n4.235196 -4.235196 0.000000\nBa Li Ce Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Li\n-0.000000 -0.000000 -0.000000 Ce\n0.500000 0.500000 0.500000 Sb\n0.737282 0.262718 0.262718 O\n0.262718 0.737282 0.737282 O\n0.737282 0.262718 0.737282 O\n0.262718 0.737282 0.262718 O\n0.737282 0.737282 0.262718 O\n0.262718 0.262718 0.737282 O\n",
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"formula_full": "Ba1 Li1 Ce1 Sb1 O6",
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{
"id": "mp-1049236",
"created_at": "2022-09-04T14:40:19.869180Z",
"structure_string": "Ba6 Y3 Mn6 F33\n1.0\n4.011494 -6.948111 0.000000\n4.011494 6.948111 0.000000\n0.000000 0.000000 13.666519\nBa Y Mn F\n6 3 6 33\ndirect\n0.883388 0.842887 0.663333 Ba\n0.502672 0.185842 0.814502 Ba\n0.959499 0.116612 0.996667 Ba\n0.814158 0.316830 0.481169 Ba\n0.683170 0.497328 0.147836 Ba\n0.157113 0.040501 0.330000 Ba\n0.459196 0.674397 0.892465 Y\n0.215201 0.540804 0.225799 Y\n0.325603 0.784799 0.559132 Y\n0.946930 0.659316 0.891180 Mn\n0.092440 0.396736 0.724702 Mn\n0.603264 0.695704 0.391369 Mn\n0.712386 0.053070 0.224513 Mn\n0.304296 0.907560 0.058036 Mn\n0.340684 0.287614 0.557847 Mn\n0.007033 0.762756 0.036386 F\n0.818554 0.373712 0.930477 F\n0.755723 0.992967 0.369719 F\n0.427962 0.072244 0.486140 F\n0.918492 0.984513 0.179891 F\n0.299474 0.327576 0.191472 F\n0.927756 0.355718 0.152807 F\n0.672424 0.971898 0.858139 F\n0.066021 0.081508 0.513224 F\n0.598389 0.012624 0.079181 F\n0.644282 0.572038 0.819474 F\n0.237244 0.244277 0.703053 F\n0.661398 0.696409 0.001863 F\n0.359027 0.173585 0.001825 F\n0.035011 0.338602 0.335197 F\n0.626288 0.444842 0.597143 F\n0.285731 0.821846 0.901721 F\n0.414234 0.401611 0.412514 F\n0.324328 0.707891 0.390725 F\n0.303591 0.964989 0.668530 F\n0.383563 0.675672 0.724059 F\n0.826415 0.185443 0.668491 F\n0.814557 0.640973 0.335158 F\n0.536115 0.714269 0.235054 F\n0.987376 0.585766 0.745848 F\n0.015487 0.933979 0.846558 F\n0.555158 0.181446 0.263810 F\n0.192352 0.396901 0.872104 F\n0.204549 0.807648 0.205438 F\n0.292109 0.616437 0.057392 F\n0.028102 0.700526 0.524806 F\n0.178154 0.463885 0.568388 F\n0.603099 0.795451 0.538771 F\n",
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"formula_full": "Ba6 Y3 Mn6 F33",
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{
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{
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