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{
"id": "mp-557668",
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"structure_string": "Mn1 Pt1 F6\n1.0\n4.973630 -2.681816 0.000000\n4.973630 2.681816 0.000000\n3.527576 0.000000 4.414219\nMn Pt F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Pt\n0.623386 0.857950 0.260967 F\n0.260967 0.623386 0.857950 F\n0.142050 0.739033 0.376614 F\n0.739033 0.376614 0.142050 F\n0.376614 0.142050 0.739033 F\n0.857950 0.260967 0.623386 F\n",
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{
"id": "mp-1212594",
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"structure_string": "In12 Te12 Br4\n1.0\n4.423242 0.000000 0.000000\n0.000000 11.911994 0.000000\n0.000000 0.000000 21.049380\nIn Te Br\n12 12 4\ndirect\n0.250000 0.673235 0.990174 In\n0.750000 0.326765 0.009826 In\n0.750000 0.826765 0.490174 In\n0.250000 0.173235 0.509826 In\n0.250000 0.546387 0.103650 In\n0.750000 0.453613 0.896350 In\n0.750000 0.953613 0.603650 In\n0.250000 0.046387 0.396350 In\n0.250000 0.660816 0.633816 In\n0.750000 0.339184 0.366184 In\n0.750000 0.839184 0.133816 In\n0.250000 0.160816 0.866184 In\n0.250000 0.728800 0.194605 Te\n0.750000 0.271200 0.805395 Te\n0.750000 0.771200 0.694605 Te\n0.250000 0.228800 0.305395 Te\n0.250000 0.669497 0.498715 Te\n0.750000 0.330503 0.501285 Te\n0.750000 0.830503 0.998715 Te\n0.250000 0.169497 0.001285 Te\n0.250000 0.596796 0.861356 Te\n0.750000 0.403204 0.138644 Te\n0.750000 0.903204 0.361356 Te\n0.250000 0.096796 0.638644 Te\n0.250000 0.955057 0.831972 Br\n0.750000 0.044943 0.168028 Br\n0.750000 0.544943 0.331972 Br\n0.250000 0.455057 0.668028 Br\n",
"nsites": 28,
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],
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"spacegroup": 62
},
{
"id": "mp-1210330",
"created_at": "2022-09-04T14:39:08.084818Z",
"structure_string": "Na8 Zr4 Ge10 H2 O32\n1.0\n5.532942 0.000000 0.000000\n0.000000 7.170180 0.000000\n0.000000 6.289000 20.537587\nNa Zr Ge H O\n8 4 10 2 32\ndirect\n0.739801 0.615483 0.526792 Na\n0.260199 0.384517 0.473208 Na\n0.739801 0.384517 0.973208 Na\n0.260199 0.615483 0.026792 Na\n0.504745 0.758614 0.209332 Na\n0.495255 0.241386 0.790668 Na\n0.504745 0.241386 0.290668 Na\n0.495255 0.758614 0.709332 Na\n0.264264 0.886533 0.411197 Zr\n0.735736 0.113467 0.588803 Zr\n0.264264 0.113467 0.088803 Zr\n0.735736 0.886533 0.911197 Zr\n0.992537 0.000000 0.250000 Ge\n0.007463 0.000000 0.750000 Ge\n0.787498 0.806866 0.078428 Ge\n0.212502 0.193134 0.921572 Ge\n0.787498 0.193134 0.421572 Ge\n0.212502 0.806866 0.578428 Ge\n0.755519 0.646303 0.365128 Ge\n0.244481 0.353697 0.634872 Ge\n0.755519 0.353697 0.134872 Ge\n0.244481 0.646303 0.865128 Ge\n0.177553 0.500000 0.250000 H\n0.822447 0.500000 0.750000 H\n0.456160 0.657014 0.389803 O\n0.543840 0.342986 0.610197 O\n0.456160 0.342986 0.110197 O\n0.543840 0.657014 0.889803 O\n0.828738 0.965806 0.687611 O\n0.171262 0.034194 0.312389 O\n0.828738 0.034194 0.812389 O\n0.171262 0.965806 0.187611 O\n0.667721 0.745792 0.010750 O\n0.332279 0.254208 0.989250 O\n0.667721 0.254208 0.489250 O\n0.332279 0.745792 0.510750 O\n0.910394 0.881909 0.564721 O\n0.089606 0.118091 0.435279 O\n0.910394 0.118091 0.935279 O\n0.089606 0.881909 0.064721 O\n0.787668 0.799487 0.281923 O\n0.212332 0.200513 0.718077 O\n0.787668 0.200513 0.218077 O\n0.212332 0.799487 0.781923 O\n0.966947 0.687447 0.420520 O\n0.033053 0.312553 0.579480 O\n0.966947 0.312553 0.079480 O\n0.033053 0.687447 0.920520 O\n0.590735 0.958289 0.106558 O\n0.409265 0.041711 0.893442 O\n0.590735 0.041711 0.393442 O\n0.409265 0.958289 0.606558 O\n0.788595 0.588496 0.148263 O\n0.211405 0.411504 0.851737 O\n0.788595 0.411504 0.351737 O\n0.211405 0.588496 0.648263 O\n",
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"volume": 814.7710550341245,
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"formula_full": "Na8 Zr4 Ge10 H2 O32",
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"spacegroup": 13
},
{
"id": "mp-11193",
"created_at": "2022-09-04T14:39:08.096502Z",
"structure_string": "V2 Au2 S4\n1.0\n1.612737 -2.793343 0.000000\n1.612737 2.793343 0.000000\n0.000000 0.000000 15.188637\nV Au S\n2 2 4\ndirect\n0.333333 0.666667 0.250000 V\n0.666667 0.333333 0.750000 V\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.344196 S\n0.000000 0.000000 0.844196 S\n0.000000 0.000000 0.155804 S\n0.000000 0.000000 0.655804 S\n",
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},
{
"id": "mp-1232997",
"created_at": "2022-09-04T14:39:08.017062Z",
"structure_string": "Li1 Cu1 P4 Ru2 O14\n1.0\n4.943839 -0.039642 0.174932\n-2.070087 -6.494246 0.275745\n0.003182 0.136966 -8.440760\nLi Cu P Ru O\n1 1 4 2 14\ndirect\n0.462414 0.204311 0.828131 Li\n0.985251 0.004309 0.488072 Cu\n0.397793 0.755566 0.807833 P\n0.611769 0.249163 0.191542 P\n0.023611 0.657967 0.268518 P\n0.969935 0.346717 0.727999 P\n0.495543 0.503045 0.496420 Ru\n0.995414 0.999152 0.004032 Ru\n0.139887 0.832070 0.162824 O\n0.856267 0.175571 0.839140 O\n0.490605 0.755408 0.635911 O\n0.504763 0.248613 0.360377 O\n0.193221 0.526367 0.834957 O\n0.797813 0.479412 0.159393 O\n0.220775 0.907670 0.823736 O\n0.800871 0.106477 0.181461 O\n0.254950 0.570857 0.325101 O\n0.714592 0.414226 0.676789 O\n0.630679 0.778290 0.936965 O\n0.379934 0.215492 0.056406 O\n0.138359 0.280176 0.592378 O\n0.852220 0.720624 0.406704 O\n",
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"volume": 271.4632500209087,
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"formula_full": "Li1 Cu1 P4 Ru2 O14",
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{
"id": "mp-761188",
"created_at": "2022-09-04T14:39:08.954548Z",
"structure_string": "Li4 V12 Co8 O48\n1.0\n8.876105 0.000000 0.000000\n0.000000 8.589747 0.000000\n0.000000 8.526683 12.110688\nLi V Co O\n4 12 8 48\ndirect\n0.216574 0.995671 0.185110 Li\n0.716574 0.004329 0.314890 Li\n0.283426 0.995671 0.685110 Li\n0.783426 0.004329 0.814890 Li\n0.749425 0.537720 0.491552 V\n0.615455 0.259252 0.855629 V\n0.884690 0.971651 0.138691 V\n0.115455 0.740748 0.644371 V\n0.384690 0.028349 0.361309 V\n0.249425 0.462280 0.008448 V\n0.750575 0.537720 0.991552 V\n0.615310 0.971651 0.638691 V\n0.884545 0.259252 0.355629 V\n0.115310 0.028349 0.861309 V\n0.384545 0.740748 0.144371 V\n0.250575 0.462280 0.508448 V\n0.974751 0.366002 0.886303 Co\n0.474751 0.633998 0.613697 Co\n0.027809 0.872200 0.379489 Co\n0.527809 0.127800 0.120511 Co\n0.472191 0.872200 0.879489 Co\n0.972191 0.127800 0.620511 Co\n0.525249 0.366002 0.386303 Co\n0.025249 0.633998 0.113697 Co\n0.110540 0.179413 0.902181 O\n0.340556 0.465972 0.612084 O\n0.118527 0.640960 0.438646 O\n0.421977 0.898950 0.181754 O\n0.629348 0.515775 0.590705 O\n0.814318 0.271834 0.850441 O\n0.562255 0.153775 0.990313 O\n0.011506 0.891901 0.246605 O\n0.706523 0.991867 0.181633 O\n0.833910 0.763556 0.422640 O\n0.524354 0.472397 0.766699 O\n0.024354 0.527603 0.733301 O\n0.443116 0.798257 0.463441 O\n0.943116 0.201743 0.036559 O\n0.333910 0.236444 0.077360 O\n0.206523 0.008133 0.318367 O\n0.062255 0.846225 0.509687 O\n0.314318 0.728166 0.649559 O\n0.129348 0.484225 0.909295 O\n0.511506 0.108099 0.253395 O\n0.840556 0.534028 0.887916 O\n0.610540 0.820587 0.597819 O\n0.921977 0.101050 0.318246 O\n0.618527 0.359040 0.061354 O\n0.381473 0.640960 0.938646 O\n0.078023 0.898950 0.681754 O\n0.389460 0.179413 0.402181 O\n0.159444 0.465972 0.112084 O\n0.488494 0.891901 0.746605 O\n0.870652 0.515775 0.090705 O\n0.685682 0.271834 0.350441 O\n0.937745 0.153775 0.490313 O\n0.793477 0.991867 0.681633 O\n0.666090 0.763556 0.922640 O\n0.056884 0.798257 0.963441 O\n0.556884 0.201743 0.536559 O\n0.975646 0.472397 0.266699 O\n0.475646 0.527603 0.233301 O\n0.166090 0.236444 0.577360 O\n0.293477 0.008133 0.818367 O\n0.988494 0.108099 0.753395 O\n0.437745 0.846225 0.009687 O\n0.185682 0.728166 0.149559 O\n0.370652 0.484225 0.409295 O\n0.578023 0.101050 0.818246 O\n0.881473 0.359040 0.561354 O\n0.659444 0.534028 0.387916 O\n0.889460 0.820587 0.097819 O\n",
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{
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"structure_string": "Nd1 Nb4 O12\n1.0\n3.928255 -3.967743 0.000000\n3.928255 3.967743 0.000000\n0.000000 0.000000 7.957072\nNd Nb O\n1 4 12\ndirect\n0.258148 0.741852 0.000000 Nd\n0.249516 0.247030 0.740936 Nb\n0.752970 0.750484 0.740936 Nb\n0.752970 0.750484 0.259064 Nb\n0.249516 0.247030 0.259064 Nb\n0.210219 0.212859 0.500000 O\n0.787141 0.789781 0.500000 O\n0.012695 0.987305 0.802874 O\n0.012695 0.987305 0.197126 O\n0.282446 0.297347 0.000000 O\n0.702653 0.717554 0.000000 O\n0.489288 0.990369 0.772080 O\n0.009631 0.510712 0.227920 O\n0.489288 0.990369 0.227920 O\n0.009631 0.510712 0.772080 O\n0.493446 0.506554 0.728417 O\n0.493446 0.506554 0.271583 O\n",
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{
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"created_at": "2022-09-04T14:39:09.367208Z",
"structure_string": "Zn2 Ga1 Ag1 Se4\n1.0\n-2.942301 2.942301 5.709244\n2.942301 -2.942301 5.709244\n2.942301 2.942301 -5.709244\nZn Ga Ag Se\n2 1 1 4\ndirect\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.000000 Ag\n0.893003 0.364854 0.000000 Se\n0.364854 0.893003 0.000000 Se\n0.635146 0.635146 0.528149 Se\n0.106997 0.106997 0.471851 Se\n",
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{
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