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{
"id": "mp-1235047",
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{
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{
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"created_at": "2022-09-04T14:46:03.706783Z",
"structure_string": "Nb5 Cr3 Se20\n1.0\n0.000000 -3.543506 0.000000\n-17.185042 0.000000 -2.425661\n0.031867 0.000000 -10.519428\nNb Cr Se\n5 3 20\ndirect\n0.750000 0.362124 0.271827 Nb\n0.750000 0.862093 0.775127 Nb\n0.250000 0.138489 0.220973 Nb\n0.250000 0.637833 0.724980 Nb\n0.250000 0.275618 0.636772 Nb\n0.250000 0.781129 0.110886 Cr\n0.750000 0.223593 0.878534 Cr\n0.750000 0.718853 0.389280 Cr\n0.250000 0.478852 0.279107 Se\n0.250000 0.977832 0.781203 Se\n0.750000 0.021732 0.215311 Se\n0.750000 0.521926 0.719524 Se\n0.250000 0.256496 0.375317 Se\n0.250000 0.756385 0.877154 Se\n0.750000 0.243315 0.116764 Se\n0.750000 0.743527 0.623055 Se\n0.250000 0.418129 0.089603 Se\n0.250000 0.916744 0.591114 Se\n0.750000 0.083622 0.404038 Se\n0.750000 0.583366 0.909159 Se\n0.750000 0.379109 0.530525 Se\n0.750000 0.880809 0.030292 Se\n0.250000 0.125652 0.961965 Se\n0.250000 0.619120 0.469918 Se\n0.750000 0.165273 0.672028 Se\n0.750000 0.679279 0.171150 Se\n0.250000 0.328501 0.845282 Se\n0.250000 0.820598 0.329111 Se\n",
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"formula_full": "Nb5 Cr3 Se20",
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{
"id": "mp-780791",
"created_at": "2022-09-04T14:46:04.068215Z",
"structure_string": "Li12 Zn4 Fe8 P12 O48\n1.0\n6.052049 0.000000 0.000000\n0.000000 10.350671 0.000000\n0.000000 0.005557 14.269057\nLi Zn Fe P O\n12 4 8 12 48\ndirect\n0.749184 0.000454 0.666499 Li\n0.250632 0.999603 0.000267 Li\n0.749368 0.999603 0.000267 Li\n0.249680 0.000928 0.333478 Li\n0.750320 0.000928 0.333478 Li\n0.250816 0.000454 0.666499 Li\n0.249658 0.499035 0.500207 Li\n0.750342 0.499035 0.500207 Li\n0.249955 0.499838 0.166651 Li\n0.750045 0.499838 0.166651 Li\n0.250536 0.499436 0.833068 Li\n0.749464 0.499436 0.833068 Li\n0.000000 0.218909 0.492319 Zn\n0.000000 0.218917 0.825900 Zn\n0.500000 0.280969 0.326175 Zn\n0.000000 0.718548 0.007399 Zn\n0.000000 0.220366 0.158160 Fe\n0.500000 0.279401 0.658429 Fe\n0.500000 0.280669 0.991234 Fe\n0.000000 0.719656 0.342156 Fe\n0.000000 0.720529 0.675220 Fe\n0.500000 0.780163 0.175314 Fe\n0.500000 0.780072 0.507513 Fe\n0.500000 0.780193 0.842232 Fe\n0.500000 0.094070 0.139203 P\n0.500000 0.093961 0.472176 P\n0.500000 0.093567 0.805943 P\n0.000000 0.405557 0.305805 P\n0.000000 0.406082 0.639155 P\n0.000000 0.407491 0.972643 P\n0.500000 0.593836 0.027718 P\n0.500000 0.591847 0.360454 P\n0.500000 0.593176 0.694223 P\n0.000000 0.907732 0.860639 P\n0.000000 0.906094 0.194152 P\n0.000000 0.908010 0.527604 P\n0.000000 0.044683 0.235744 O\n0.000000 0.047233 0.569237 O\n0.000000 0.046722 0.902719 O\n0.500000 0.097173 0.246966 O\n0.500000 0.094605 0.579986 O\n0.500000 0.094549 0.913656 O\n0.295824 0.164883 0.094521 O\n0.704176 0.164883 0.094521 O\n0.295524 0.165515 0.427683 O\n0.295230 0.164828 0.761402 O\n0.704476 0.165515 0.427683 O\n0.704770 0.164828 0.761402 O\n0.204026 0.334998 0.594490 O\n0.204934 0.335019 0.260979 O\n0.203401 0.335603 0.927988 O\n0.795974 0.334998 0.594490 O\n0.796599 0.335603 0.927988 O\n0.795066 0.335019 0.260979 O\n0.000000 0.405999 0.080106 O\n0.000000 0.402511 0.413784 O\n0.000000 0.402616 0.746968 O\n0.500000 0.452984 0.402611 O\n0.500000 0.455029 0.069658 O\n0.500000 0.454863 0.736754 O\n0.000000 0.544735 0.264486 O\n0.000000 0.546536 0.930323 O\n0.000000 0.545032 0.597496 O\n0.500000 0.593863 0.252929 O\n0.500000 0.594965 0.919871 O\n0.500000 0.594372 0.586508 O\n0.295047 0.664929 0.072108 O\n0.296331 0.663370 0.405175 O\n0.704953 0.664929 0.072108 O\n0.703669 0.663370 0.405175 O\n0.295959 0.664794 0.738448 O\n0.704041 0.664794 0.738448 O\n0.796619 0.835781 0.905213 O\n0.203381 0.835781 0.905213 O\n0.795964 0.835031 0.238734 O\n0.795786 0.836908 0.572179 O\n0.204036 0.835031 0.238734 O\n0.204214 0.836908 0.572179 O\n0.000000 0.906183 0.752981 O\n0.000000 0.902766 0.086171 O\n0.000000 0.905510 0.420024 O\n0.500000 0.954853 0.763714 O\n0.500000 0.955277 0.097458 O\n0.500000 0.955220 0.429906 O\n",
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],
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"density_atomic": 0.09397515983683835,
"volume": 893.8532282982287,
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"formula_full": "Li12 Zn4 Fe8 P12 O48",
"formula_reduced": "Li3ZnFe2(PO4)3",
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"spacegroup": 6
},
{
"id": "mp-1218339",
"created_at": "2022-09-04T14:46:04.809239Z",
"structure_string": "Sr1 Cu1 O2\n1.0\n0.000000 0.000000 4.421214\n7.482019 -0.448453 0.000000\n-1.861354 3.822255 0.000000\nSr Cu O\n1 1 2\ndirect\n0.500000 0.061452 0.244701 Sr\n0.500000 0.641724 0.477259 Cu\n0.500000 0.398573 0.418838 O\n0.500000 0.904171 0.603602 O\n",
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"formula_full": "Sr1 Cu1 O2",
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{
"id": "mp-1233489",
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"structure_string": "Nd4 Mg1 Rh4 O12\n1.0\n6.150071 -0.937299 0.000000\n-0.978604 6.344240 0.000000\n0.000000 0.000000 7.573047\nNd Mg Rh O\n4 1 4 12\ndirect\n0.551591 0.561094 0.750000 Nd\n0.043914 0.853317 0.250000 Nd\n0.049301 0.086371 0.750000 Nd\n0.449287 0.459295 0.250000 Nd\n0.693436 0.020048 0.250000 Mg\n0.486603 0.010828 0.523646 Rh\n0.994386 0.494752 0.508194 Rh\n0.994386 0.494752 0.991806 Rh\n0.486603 0.010828 0.976354 Rh\n0.837729 0.173944 0.467884 O\n0.358813 0.281206 0.560254 O\n0.624039 0.758848 0.063761 O\n0.147806 0.828738 0.951592 O\n0.147806 0.828738 0.548408 O\n0.624039 0.758848 0.436239 O\n0.358813 0.281206 0.939746 O\n0.837729 0.173944 0.032116 O\n0.402861 0.080004 0.250000 O\n0.883274 0.464412 0.750000 O\n0.110628 0.525414 0.250000 O\n0.604458 0.947160 0.750000 O\n",
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{
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"structure_string": "Ba12 Fe1 Si3 S20\n1.0\n9.569329 0.000000 0.000000\n0.000000 8.638915 0.000000\n0.000000 0.126048 12.124218\nBa Fe Si S\n12 1 3 20\ndirect\n0.270259 0.422372 0.319346 Ba\n0.726929 0.079803 0.819597 Ba\n0.768620 0.585919 0.677572 Ba\n0.229246 0.916021 0.183594 Ba\n0.231380 0.585919 0.677572 Ba\n0.770754 0.916021 0.183594 Ba\n0.729741 0.422372 0.319346 Ba\n0.273071 0.079803 0.819597 Ba\n0.000000 0.393321 0.018377 Ba\n0.000000 0.099624 0.515084 Ba\n0.500000 0.610316 0.981335 Ba\n0.500000 0.895920 0.483774 Ba\n0.000000 0.687442 0.401280 Fe\n0.000000 0.811580 0.899747 Si\n0.500000 0.310560 0.600296 Si\n0.500000 0.190488 0.100084 Si\n0.000000 0.176813 0.266197 S\n0.000000 0.327934 0.760623 S\n0.500000 0.824449 0.736168 S\n0.500000 0.675529 0.232516 S\n0.000000 0.475522 0.499196 S\n0.000000 0.018165 0.992699 S\n0.500000 0.517907 0.506077 S\n0.500000 0.983579 0.007920 S\n0.000000 0.632274 0.223063 S\n0.000000 0.858951 0.726258 S\n0.500000 0.356802 0.773542 S\n0.500000 0.144221 0.273489 S\n0.685231 0.312198 0.058793 S\n0.314092 0.189899 0.561132 S\n0.185321 0.689595 0.939013 S\n0.805892 0.808494 0.442088 S\n0.814679 0.689595 0.939013 S\n0.194108 0.808494 0.442088 S\n0.314769 0.312198 0.058793 S\n0.685908 0.189899 0.561132 S\n",
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},
{
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"structure_string": "V16 Cu5 O40\n1.0\n11.468382 -0.000003 -0.000001\n-0.000003 9.433488 0.004462\n-0.000001 0.003464 7.106936\nV Cu O\n16 5 40\ndirect\n0.147803 0.553366 0.503067 V\n0.148693 0.051097 0.997007 V\n0.147590 0.052235 0.505000 V\n0.148459 0.549639 0.994989 V\n0.353540 0.947428 0.750561 V\n0.351554 0.950800 0.249669 V\n0.349404 0.448789 0.254467 V\n0.351672 0.445355 0.745752 V\n0.648328 0.445355 0.745752 V\n0.650596 0.448789 0.254467 V\n0.648446 0.950800 0.249669 V\n0.646460 0.947428 0.750561 V\n0.851307 0.051098 0.997007 V\n0.852410 0.052235 0.505000 V\n0.851541 0.549639 0.994989 V\n0.852197 0.553366 0.503067 V\n0.000000 0.310850 0.743347 Cu\n0.000000 0.817976 0.750761 Cu\n0.500000 0.683874 0.001505 Cu\n0.500000 0.684456 0.498929 Cu\n0.500000 0.181128 0.498817 Cu\n0.000000 0.483404 0.982523 O\n0.000000 0.484626 0.517453 O\n0.000000 0.983560 0.979645 O\n0.000000 0.983077 0.519845 O\n0.129262 0.222007 0.971012 O\n0.126136 0.222671 0.535339 O\n0.129297 0.720594 0.967348 O\n0.127371 0.723862 0.529147 O\n0.177456 0.503238 0.251221 O\n0.176628 0.004656 0.249576 O\n0.182108 0.485210 0.747247 O\n0.182981 0.986051 0.751513 O\n0.324020 0.004447 0.999809 O\n0.317153 0.000650 0.500247 O\n0.320717 0.495910 0.999606 O\n0.324192 0.519036 0.500741 O\n0.373769 0.276225 0.715406 O\n0.380733 0.774389 0.755843 O\n0.370230 0.278989 0.285613 O\n0.377677 0.777363 0.244476 O\n0.500000 0.020010 0.726411 O\n0.500000 0.520896 0.756220 O\n0.500000 0.018823 0.271748 O\n0.500000 0.520054 0.243489 O\n0.629769 0.278989 0.285613 O\n0.626231 0.276225 0.715406 O\n0.622323 0.777363 0.244476 O\n0.619267 0.774389 0.755843 O\n0.675981 0.004447 0.999809 O\n0.682847 0.000650 0.500247 O\n0.679283 0.495910 0.999606 O\n0.675808 0.519036 0.500741 O\n0.817892 0.485210 0.747247 O\n0.822544 0.503237 0.251221 O\n0.823372 0.004656 0.249576 O\n0.817019 0.986050 0.751513 O\n0.873864 0.222671 0.535339 O\n0.870738 0.222007 0.971011 O\n0.870703 0.720594 0.967348 O\n0.872629 0.723862 0.529147 O\n",
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