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{
"id": "mp-756087",
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"structure_string": "Mn1 V3 O8\n1.0\n1.904117 6.015825 0.000000\n-1.904117 6.015825 0.000000\n0.000000 1.907021 6.357545\nMn V O\n1 3 8\ndirect\n0.292180 0.292180 0.307660 Mn\n0.597631 0.597631 0.296292 V\n0.398357 0.398357 0.719574 V\n0.699845 0.699845 0.722294 V\n0.867631 0.867631 0.689660 O\n0.756937 0.756937 0.356600 O\n0.640126 0.640126 0.988831 O\n0.554093 0.554093 0.630848 O\n0.446337 0.446337 0.355314 O\n0.370273 0.370273 0.977538 O\n0.241214 0.241214 0.663906 O\n0.135375 0.135375 0.291484 O\n",
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{
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"structure_string": "Sm3 Sb4 Pt7\n1.0\n2.152303 8.341983 0.000000\n-2.152303 8.341983 0.000000\n0.000000 6.647075 8.200981\nSm Sb Pt\n3 4 7\ndirect\n0.500000 0.500000 0.000000 Sm\n0.828289 0.828289 0.685285 Sm\n0.171711 0.171711 0.314715 Sm\n0.640517 0.640517 0.590637 Sb\n0.171390 0.171390 0.975263 Sb\n0.828610 0.828610 0.024737 Sb\n0.359483 0.359483 0.409363 Sb\n0.830836 0.830836 0.269053 Pt\n0.622780 0.622780 0.155840 Pt\n0.500000 0.500000 0.500000 Pt\n0.169164 0.169164 0.730947 Pt\n0.983078 0.983078 0.327339 Pt\n0.016922 0.016922 0.672661 Pt\n0.377220 0.377220 0.844160 Pt\n",
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"spacegroup": 12
},
{
"id": "mp-1227486",
"created_at": "2022-09-04T14:47:26.818735Z",
"structure_string": "Bi4 Sb4 S12\n1.0\n3.968885 0.000000 0.000000\n0.000000 11.205584 0.000000\n0.000000 0.000000 11.867692\nBi Sb S\n4 4 12\ndirect\n0.250000 0.169771 0.515716 Bi\n0.250000 0.330229 0.015716 Bi\n0.750000 0.830229 0.484284 Bi\n0.750000 0.669771 0.984284 Bi\n0.750000 0.461807 0.646222 Sb\n0.750000 0.038193 0.146222 Sb\n0.250000 0.538193 0.353778 Sb\n0.250000 0.961807 0.853778 Sb\n0.250000 0.625428 0.546277 S\n0.250000 0.874572 0.046277 S\n0.750000 0.374572 0.453723 S\n0.750000 0.125428 0.953723 S\n0.750000 0.056152 0.622455 S\n0.750000 0.443848 0.122455 S\n0.250000 0.943848 0.377545 S\n0.250000 0.556152 0.877545 S\n0.250000 0.313182 0.702334 S\n0.250000 0.186818 0.202334 S\n0.750000 0.686818 0.297666 S\n0.750000 0.813182 0.797666 S\n",
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"elements": [
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"density_atomic": 0.03789315080731704,
"volume": 527.799868152903,
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"formula_full": "Bi4 Sb4 S12",
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{
"id": "mp-1049264",
"created_at": "2022-09-04T14:47:26.822617Z",
"structure_string": "Ca4 V8 P8 O32\n1.0\n2.505349 8.549347 0.000000\n-2.505349 8.549347 0.000000\n0.000000 7.914868 15.601224\nCa V P O\n4 8 8 32\ndirect\n0.494147 0.818710 0.850118 Ca\n0.181290 0.505853 0.649882 Ca\n0.818710 0.494147 0.350118 Ca\n0.505853 0.181290 0.149882 Ca\n0.174818 0.633842 0.961888 V\n0.366158 0.825182 0.538112 V\n0.825182 0.366158 0.038112 V\n0.500000 0.000000 0.000000 V\n0.633842 0.174818 0.461888 V\n0.694821 0.305179 0.250000 V\n0.305179 0.694821 0.750000 V\n0.000000 0.500000 0.500000 V\n0.054596 0.504121 0.867486 P\n0.769318 0.205712 0.613452 P\n0.945404 0.495879 0.132514 P\n0.205712 0.769318 0.113452 P\n0.504121 0.054596 0.367486 P\n0.495879 0.945404 0.632514 P\n0.230682 0.794288 0.386548 P\n0.794288 0.230682 0.886548 P\n0.694973 0.819453 0.107225 O\n0.786749 0.352893 0.931863 O\n0.819453 0.694973 0.607225 O\n0.823014 0.351413 0.549572 O\n0.189695 0.368128 0.054938 O\n0.554362 0.353570 0.692351 O\n0.648587 0.176986 0.950428 O\n0.889902 0.061981 0.138508 O\n0.176986 0.648587 0.450428 O\n0.647107 0.213251 0.568137 O\n0.866002 0.385888 0.143274 O\n0.598444 0.946872 0.288101 O\n0.213251 0.647107 0.068137 O\n0.061981 0.889902 0.638508 O\n0.305027 0.180547 0.892775 O\n0.133998 0.614112 0.856726 O\n0.946872 0.598444 0.788101 O\n0.351413 0.823014 0.049572 O\n0.385888 0.866002 0.643274 O\n0.401556 0.053128 0.711899 O\n0.938019 0.110098 0.361492 O\n0.368128 0.189695 0.554938 O\n0.110098 0.938019 0.861492 O\n0.353570 0.554362 0.192351 O\n0.352893 0.786749 0.431863 O\n0.180547 0.305027 0.392775 O\n0.053128 0.401556 0.211899 O\n0.631872 0.810305 0.445062 O\n0.810305 0.631872 0.945062 O\n0.646430 0.445638 0.807649 O\n0.445638 0.646430 0.307649 O\n0.614112 0.133998 0.356726 O\n",
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"density": 3.2986130207119184,
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"volume": 668.3282902134124,
"volume_molar": 7.739936610683269,
"formula_full": "Ca4 V8 P8 O32",
"formula_reduced": "CaV2(PO4)2",
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"spacegroup": 15
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{
"id": "mp-753995",
"created_at": "2022-09-04T14:47:26.698940Z",
"structure_string": "Y4 Tm4 O12\n1.0\n5.664251 0.000000 0.000000\n0.000000 5.922676 0.000000\n0.000000 0.000000 8.305271\nY Tm O\n4 4 12\ndirect\n0.015379 0.947000 0.750000 Y\n0.484621 0.447000 0.750000 Y\n0.515379 0.553000 0.250000 Y\n0.984621 0.053000 0.250000 Y\n0.000000 0.500000 0.000000 Tm\n0.000000 0.500000 0.500000 Tm\n0.500000 0.000000 0.000000 Tm\n0.500000 0.000000 0.500000 Tm\n0.144907 0.422350 0.250000 O\n0.182790 0.186148 0.575148 O\n0.182790 0.186148 0.924852 O\n0.317210 0.686148 0.924852 O\n0.317210 0.686148 0.575148 O\n0.355093 0.922350 0.250000 O\n0.644907 0.077650 0.750000 O\n0.682790 0.313852 0.424852 O\n0.682790 0.313852 0.075148 O\n0.817210 0.813852 0.075148 O\n0.817210 0.813852 0.424852 O\n0.855093 0.577650 0.750000 O\n",
"nsites": 20,
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"density": 7.290992135474123,
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{
"id": "mp-1234716",
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"structure_string": "Ca1 La2 Co2 Sb2 Pb2 O12\n1.0\n5.818542 -0.205399 -0.167024\n-0.221654 5.929925 0.798055\n-0.238488 1.040159 9.736409\nCa La Co Sb Pb O\n1 2 2 2 2 12\ndirect\n0.486675 0.702413 0.413958 Ca\n0.515389 0.482916 0.779981 La\n0.000880 0.926246 0.166981 La\n0.006800 0.576055 0.563378 Co\n0.510814 0.936226 0.984679 Co\n0.028441 0.476854 0.978534 Sb\n0.463723 0.124970 0.565123 Sb\n0.559481 0.314771 0.192933 Pb\n0.951551 0.997022 0.758741 Pb\n0.588012 0.933712 0.195387 O\n0.095187 0.594787 0.773793 O\n0.446111 0.054522 0.774675 O\n0.958356 0.337517 0.178862 O\n0.099077 0.788033 0.386904 O\n0.752585 0.682834 0.955913 O\n0.731337 0.353722 0.570208 O\n0.302218 0.272721 0.003055 O\n0.291627 0.417691 0.573943 O\n0.808232 0.218975 0.932641 O\n0.670377 0.820206 0.604876 O\n0.221223 0.737807 0.028768 O\n",
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{
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"structure_string": "Sn1 Au5\n1.0\n5.109056 -2.601879 0.000000\n5.109056 2.601879 0.000000\n3.784003 0.000000 4.307383\nSn Au\n1 5\ndirect\n0.000000 0.000000 0.000000 Sn\n0.670045 0.670045 0.670045 Au\n0.172468 0.500000 0.827532 Au\n0.500000 0.827532 0.172468 Au\n0.827532 0.172468 0.500000 Au\n0.329955 0.329955 0.329955 Au\n",
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{
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"structure_string": "Cr8 Fe4 N4 O32\n1.0\n15.626247 0.000000 0.000000\n0.000000 5.611575 0.000000\n0.000000 5.463900 8.487081\nCr Fe N O\n8 4 4 32\ndirect\n0.117031 0.707149 0.038658 Cr\n0.382969 0.707149 0.538658 Cr\n0.882969 0.292851 0.961342 Cr\n0.617031 0.292851 0.461342 Cr\n0.080928 0.593808 0.639944 Cr\n0.419072 0.593808 0.139944 Cr\n0.919072 0.406192 0.360056 Cr\n0.580928 0.406192 0.860056 Cr\n0.945917 0.980720 0.760281 Fe\n0.554083 0.980720 0.260281 Fe\n0.054083 0.019280 0.239719 Fe\n0.445917 0.019280 0.739719 Fe\n0.293875 0.236422 0.001291 N\n0.206125 0.236422 0.501291 N\n0.706125 0.763578 0.998709 N\n0.793875 0.763578 0.498709 N\n0.161528 0.508892 0.756510 O\n0.338472 0.508892 0.256510 O\n0.838472 0.491108 0.243490 O\n0.661528 0.491108 0.743490 O\n0.811951 0.137649 0.097630 O\n0.688049 0.137649 0.597630 O\n0.188049 0.862351 0.902370 O\n0.311951 0.862351 0.402370 O\n0.980684 0.215119 0.041193 O\n0.519316 0.215119 0.541193 O\n0.019316 0.784881 0.958807 O\n0.480684 0.784881 0.458807 O\n0.113808 0.802256 0.450345 O\n0.386192 0.802256 0.950345 O\n0.886192 0.197744 0.549655 O\n0.613808 0.197744 0.049655 O\n0.125568 0.823936 0.162208 O\n0.374432 0.823936 0.662208 O\n0.874432 0.176064 0.837792 O\n0.625568 0.176064 0.337792 O\n0.133579 0.350643 0.141825 O\n0.366421 0.350643 0.641825 O\n0.866421 0.649357 0.858175 O\n0.633579 0.649357 0.358175 O\n0.010018 0.771349 0.679674 O\n0.489982 0.771349 0.179674 O\n0.989982 0.228651 0.320326 O\n0.510018 0.228651 0.820326 O\n0.034102 0.294929 0.671838 O\n0.465898 0.294929 0.171838 O\n0.965898 0.705071 0.328162 O\n0.534102 0.705071 0.828162 O\n",
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{
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"formula_full": "Li6 V6 P16 O58",
"formula_reduced": "Li3V3P8O29",
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{
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"formula_full": "In2 Cu1 Te3 Cl1",
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{
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{
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}