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{
"id": "mp-1035313",
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{
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"structure_string": "Ti2 Co1 Tc1\n1.0\n0.000000 3.034358 3.034358\n3.034358 0.000000 3.034358\n3.034358 3.034358 0.000000\nTi Co Tc\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ti\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Tc\n",
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{
"id": "mp-1229129",
"created_at": "2022-09-04T14:45:09.798277Z",
"structure_string": "Ba10 Pr5 Nb2 Sn3 O30\n1.0\n-7.172677 -5.069914 0.053532\n5.363756 -0.027355 9.259423\n-1.825930 10.153155 3.065198\nBa Pr Nb Sn O\n10 5 2 3 30\ndirect\n0.650622 0.099894 0.698913 Ba\n0.449747 0.300409 0.099825 Ba\n0.852741 0.897994 0.298627 Ba\n0.247851 0.496342 0.499147 Ba\n0.050944 0.696679 0.900249 Ba\n0.750253 0.499591 0.500175 Ba\n0.549378 0.700106 0.901087 Ba\n0.952149 0.303658 0.100853 Ba\n0.347259 0.902006 0.301373 Ba\n0.149056 0.103321 0.699751 Ba\n0.798109 0.198349 0.398617 Pr\n0.600000 0.400000 0.800000 Pr\n0.999260 0.000133 0.998486 Pr\n0.401891 0.601651 0.201383 Pr\n0.200740 0.799867 0.601514 Pr\n0.700136 0.799548 0.600421 Nb\n0.499864 0.000452 0.999579 Nb\n0.900175 0.600369 0.200008 Sn\n0.299825 0.199631 0.399992 Sn\n0.100000 0.400000 0.800000 Sn\n0.985373 0.799811 0.126635 O\n0.384220 0.398636 0.325364 O\n0.783505 0.993937 0.529484 O\n0.185362 0.599121 0.726609 O\n0.584055 0.193857 0.929389 O\n0.655958 0.611867 0.171590 O\n0.055365 0.210268 0.372477 O\n0.463349 0.812284 0.573180 O\n0.855559 0.411425 0.771564 O\n0.260524 0.009379 0.970409 O\n0.013562 0.677116 0.398091 O\n0.412114 0.274449 0.598565 O\n0.806679 0.873085 0.792918 O\n0.213573 0.476944 0.997838 O\n0.606044 0.071765 0.192311 O\n0.815780 0.401364 0.274636 O\n0.214627 0.000189 0.473365 O\n0.615945 0.606143 0.670611 O\n0.014638 0.200879 0.873391 O\n0.416495 0.806063 0.070516 O\n0.144635 0.589732 0.227523 O\n0.544042 0.188133 0.428410 O\n0.939476 0.790621 0.629591 O\n0.344441 0.388575 0.828436 O\n0.736651 0.987716 0.026820 O\n0.787886 0.525551 0.001435 O\n0.186438 0.122884 0.201909 O\n0.593956 0.728235 0.407689 O\n0.986427 0.323056 0.602162 O\n0.393321 0.926915 0.807082 O\n",
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"formula_full": "Ba10 Pr5 Nb2 Sn3 O30",
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{
"id": "mp-762988",
"created_at": "2022-09-04T14:45:09.806957Z",
"structure_string": "Li4 Mn4 F12\n1.0\n3.915288 5.964583 0.000000\n-3.915288 5.964583 0.000000\n0.000000 3.011619 5.392100\nLi Mn F\n4 4 12\ndirect\n0.761527 0.194977 0.207810 Li\n0.241255 0.799327 0.222238 Li\n0.194977 0.761527 0.707810 Li\n0.799327 0.241255 0.722238 Li\n0.687546 0.803221 0.637320 Mn\n0.803221 0.687546 0.137320 Mn\n0.211103 0.319752 0.822545 Mn\n0.319752 0.211103 0.322545 Mn\n0.884331 0.890532 0.255295 F\n0.890532 0.884331 0.755295 F\n0.869260 0.429389 0.001128 F\n0.525238 0.766144 0.014394 F\n0.429389 0.869260 0.501128 F\n0.766144 0.525238 0.514394 F\n0.226996 0.584579 0.521642 F\n0.534232 0.177218 0.534814 F\n0.584579 0.226996 0.021642 F\n0.177218 0.534232 0.034814 F\n0.182944 0.096429 0.171813 F\n0.096429 0.182944 0.671813 F\n",
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"formula_full": "Li4 Mn4 F12",
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{
"id": "mp-1519465",
"created_at": "2022-09-04T14:45:09.809346Z",
"structure_string": "Ba4 Sr4 Eu4 Sb4 O24\n1.0\n8.527610 0.000000 0.000000\n0.000000 8.532051 0.000000\n0.000000 0.000000 8.528736\nBa Sr Eu Sb O\n4 4 4 4 24\ndirect\n-0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 -0.000000 0.500000 Ba\n-0.000000 -0.000000 0.500000 Ba\n-0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n0.500000 -0.000000 -0.000000 Sr\n0.000000 0.500000 -0.000000 Sr\n0.749767 0.748349 0.751632 Eu\n0.250233 0.251651 0.751632 Eu\n0.250233 0.748349 0.248368 Eu\n0.749767 0.251651 0.248368 Eu\n0.248930 0.254186 0.246896 Sb\n0.751070 0.745814 0.246896 Sb\n0.751070 0.254186 0.753104 Sb\n0.248930 0.745814 0.753104 Sb\n0.015902 0.224468 0.269817 O\n0.984098 0.775532 0.269817 O\n0.984098 0.224468 0.730183 O\n0.015902 0.775532 0.730183 O\n0.279755 0.019992 0.215763 O\n0.279755 0.980008 0.784237 O\n0.720245 0.980008 0.215763 O\n0.720245 0.019992 0.784237 O\n0.218317 0.286680 0.015351 O\n0.781683 0.286680 0.984649 O\n0.218317 0.713320 0.984649 O\n0.781683 0.713320 0.015351 O\n0.481940 0.285136 0.217378 O\n0.518060 0.714864 0.217378 O\n0.518060 0.285136 0.782622 O\n0.481940 0.714864 0.782622 O\n0.218324 0.485523 0.282314 O\n0.218324 0.514477 0.717686 O\n0.781676 0.514477 0.282314 O\n0.781676 0.485523 0.717686 O\n0.274116 0.228411 0.481365 O\n0.725884 0.228411 0.518635 O\n0.274116 0.771589 0.518635 O\n0.725884 0.771589 0.481365 O\n",
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{
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"structure_string": "Y12 Co2 Ni2\n1.0\n0.000000 0.000000 6.253478\n6.816526 0.000000 0.000000\n0.000000 9.412186 0.000000\nY Co Ni\n12 2 2\ndirect\n0.321658 0.676717 0.069788 Y\n0.178342 0.176717 0.430212 Y\n0.673519 0.321649 0.565078 Y\n0.826481 0.821649 0.934922 Y\n0.673519 0.321649 0.934922 Y\n0.826481 0.821649 0.565078 Y\n0.321658 0.676717 0.430212 Y\n0.178342 0.176717 0.069788 Y\n0.862353 0.544211 0.250000 Y\n0.637647 0.044211 0.250000 Y\n0.140303 0.461493 0.750000 Y\n0.359697 0.961493 0.750000 Y\n0.045528 0.888844 0.250000 Co\n0.454472 0.388844 0.250000 Co\n0.947542 0.108720 0.750000 Ni\n0.552458 0.608720 0.750000 Ni\n",
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{
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{
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{
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"structure_string": "U4 Mo30 Se40\n1.0\n9.689172 0.000000 0.000000\n-0.195542 11.657396 0.000000\n-4.437350 -4.010012 13.809291\nU Mo Se\n4 30 40\ndirect\n0.899534 0.600432 0.801615 U\n0.300290 0.199257 0.599682 U\n0.699710 0.800743 0.400318 U\n0.100466 0.399568 0.198385 U\n0.548877 0.391047 0.079547 Mo\n0.948678 0.992763 0.879029 Mo\n0.346773 0.592107 0.679812 Mo\n0.747899 0.191929 0.479504 Mo\n0.147812 0.792029 0.279786 Mo\n0.639560 0.434786 0.937022 Mo\n0.041526 0.035233 0.739200 Mo\n0.440576 0.635282 0.537822 Mo\n0.839766 0.236634 0.337608 Mo\n0.242127 0.835743 0.138214 Mo\n0.650894 0.615998 0.096242 Mo\n0.053580 0.214373 0.895945 Mo\n0.453182 0.815838 0.697189 Mo\n0.851883 0.415968 0.495921 Mo\n0.251922 0.016777 0.295718 Mo\n0.451123 0.608953 0.920453 Mo\n0.852188 0.207971 0.720214 Mo\n0.252101 0.808071 0.520496 Mo\n0.653227 0.407893 0.320188 Mo\n0.051322 0.007237 0.120971 Mo\n0.360440 0.565214 0.062978 Mo\n0.757873 0.164257 0.861786 Mo\n0.160234 0.763366 0.662392 Mo\n0.559424 0.364718 0.462178 Mo\n0.958474 0.964767 0.260800 Mo\n0.349106 0.384002 0.903758 Mo\n0.748078 0.983223 0.704282 Mo\n0.148117 0.584032 0.504079 Mo\n0.546818 0.184162 0.302811 Mo\n0.946420 0.785627 0.104055 Mo\n0.014205 0.247301 0.504948 Se\n0.414486 0.848118 0.305552 Se\n0.814472 0.447223 0.104195 Se\n0.217141 0.047829 0.905766 Se\n0.613968 0.647064 0.704965 Se\n0.386032 0.352936 0.295035 Se\n0.782859 0.952171 0.094234 Se\n0.185528 0.552777 0.895805 Se\n0.585514 0.151882 0.694448 Se\n0.985795 0.752699 0.495052 Se\n0.719862 0.019177 0.322932 Se\n0.119971 0.618681 0.124440 Se\n0.524614 0.222894 0.925384 Se\n0.921338 0.818601 0.724139 Se\n0.320845 0.418423 0.523745 Se\n0.927241 0.451837 0.345855 Se\n0.326602 0.049821 0.149396 Se\n0.725773 0.653395 0.946217 Se\n0.126946 0.251555 0.746014 Se\n0.526248 0.850879 0.545207 Se\n0.749439 0.380458 0.629006 Se\n0.148960 0.980237 0.429160 Se\n0.549539 0.580964 0.229468 Se\n0.946817 0.179786 0.028512 Se\n0.351047 0.776715 0.826409 Se\n0.679155 0.581577 0.476255 Se\n0.078662 0.181399 0.275861 Se\n0.475386 0.777106 0.074616 Se\n0.880029 0.381319 0.875560 Se\n0.280138 0.980823 0.677068 Se\n0.473752 0.149121 0.454793 Se\n0.873054 0.748445 0.253986 Se\n0.274227 0.346605 0.053783 Se\n0.673398 0.950179 0.850604 Se\n0.072759 0.548163 0.654145 Se\n0.648953 0.223285 0.173591 Se\n0.053183 0.820214 0.971488 Se\n0.450461 0.419036 0.770532 Se\n0.851040 0.019763 0.570840 Se\n0.250561 0.619542 0.370994 Se\n",
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],
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"formula_full": "U4 Mo30 Se40",
"formula_reduced": "U2(Mo3Se4)5",
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"updated_at": "2021-11-28T01:36:51.109000Z",
"spacegroup": 2
},
{
"id": "mp-730",
"created_at": "2022-09-04T14:45:09.832873Z",
"structure_string": "P8 Pt4\n1.0\n5.754779 0.000000 0.000000\n0.000000 5.754779 0.000000\n0.000000 0.000000 5.754779\nP Pt\n8 4\ndirect\n0.389965 0.389965 0.389965 P\n0.110035 0.610035 0.889965 P\n0.889965 0.110035 0.610035 P\n0.610035 0.889965 0.110035 P\n0.610035 0.610035 0.610035 P\n0.889965 0.389965 0.110035 P\n0.110035 0.889965 0.389965 P\n0.389965 0.110035 0.889965 P\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n",
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"elements": [
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"formula_full": "P8 Pt4",
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{
"id": "mp-1209453",
"created_at": "2022-09-04T14:45:09.836035Z",
"structure_string": "Rb6 Au6 Br16\n1.0\n4.049013 6.476091 0.000000\n-4.049013 6.476091 0.000000\n0.000000 2.595954 19.552855\nRb Au Br\n6 6 16\ndirect\n0.677158 0.687024 0.415558 Rb\n0.322842 0.312976 0.584442 Rb\n0.312976 0.322842 0.084442 Rb\n0.687024 0.677158 0.915558 Rb\n0.983921 0.016079 0.250000 Rb\n0.016079 0.983921 0.750000 Rb\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n0.614560 0.618537 0.189673 Au\n0.385440 0.381463 0.810327 Au\n0.381463 0.385440 0.310327 Au\n0.618537 0.614560 0.689673 Au\n0.326199 0.756357 0.123306 Br\n0.673801 0.243643 0.876694 Br\n0.243643 0.673801 0.376694 Br\n0.756357 0.326199 0.623306 Br\n0.500250 0.094277 0.245594 Br\n0.499750 0.905723 0.754406 Br\n0.905723 0.499750 0.254406 Br\n0.094277 0.500250 0.745594 Br\n0.792189 0.850881 0.063840 Br\n0.207811 0.149119 0.936160 Br\n0.149119 0.207811 0.436160 Br\n0.850881 0.792189 0.563840 Br\n0.709433 0.162388 0.427853 Br\n0.290567 0.837612 0.572147 Br\n0.837612 0.290567 0.072147 Br\n0.162388 0.709433 0.927853 Br\n",
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{
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"structure_string": "Si4 Ni8\n1.0\n3.733962 0.000000 0.000000\n0.000000 4.982977 0.000000\n0.000000 0.000000 7.068000\nSi Ni\n4 8\ndirect\n0.250000 0.289214 0.614334 Si\n0.750000 0.710786 0.385666 Si\n0.250000 0.789214 0.885666 Si\n0.750000 0.210786 0.114334 Si\n0.250000 0.458234 0.294834 Ni\n0.750000 0.541766 0.705166 Ni\n0.250000 0.958234 0.205166 Ni\n0.750000 0.041766 0.794834 Ni\n0.250000 0.329511 0.940006 Ni\n0.750000 0.670489 0.059994 Ni\n0.250000 0.829511 0.559994 Ni\n0.750000 0.170489 0.440006 Ni\n",
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]
}