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{
"id": "mp-1062893",
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{
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{
"id": "mp-1094618",
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"structure_string": "Mg1 Ga5\n1.0\n1.531520 -2.652670 0.000000\n1.531520 2.652670 0.000000\n0.000000 0.000000 14.136222\nMg Ga\n1 5\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.832898 Ga\n0.000000 0.000000 0.666997 Ga\n0.666667 0.333333 0.500000 Ga\n0.000000 0.000000 0.333003 Ga\n0.666667 0.333333 0.167102 Ga\n",
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"spacegroup": 187
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{
"id": "mp-745",
"created_at": "2022-09-04T14:39:43.429048Z",
"structure_string": "Th2 Mg4\n1.0\n0.000000 4.277054 4.277054\n4.277054 0.000000 4.277054\n4.277054 4.277054 0.000000\nTh Mg\n2 4\ndirect\n0.750000 0.750000 0.750000 Th\n0.500000 0.500000 0.500000 Th\n0.125000 0.625000 0.125000 Mg\n0.125000 0.125000 0.625000 Mg\n0.625000 0.125000 0.125000 Mg\n0.125000 0.125000 0.125000 Mg\n",
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"spacegroup": 227
},
{
"id": "mp-1065711",
"created_at": "2022-09-04T14:39:43.432759Z",
"structure_string": "Na2 Ga2\n1.0\n3.028266 -3.396839 0.000000\n3.028266 3.396839 0.000000\n0.000000 0.000000 4.897751\nNa Ga\n2 2\ndirect\n0.634608 0.365392 0.250000 Na\n0.365392 0.634608 0.750000 Na\n0.086557 0.913443 0.250000 Ga\n0.913443 0.086557 0.750000 Ga\n",
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"formula_full": "Na2 Ga2",
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"updated_at": "2021-11-28T01:34:35.597000Z",
"spacegroup": 63
},
{
"id": "mp-29991",
"created_at": "2022-09-04T14:39:43.437388Z",
"structure_string": "Bi16 Te32 Cl56\n1.0\n8.983634 0.000000 0.000000\n0.000000 16.833737 0.000000\n0.000000 0.000000 23.447421\nBi Te Cl\n16 32 56\ndirect\n0.665428 0.624428 0.015855 Bi\n0.165428 0.875572 0.984145 Bi\n0.334572 0.124428 0.484145 Bi\n0.834572 0.375572 0.515855 Bi\n0.141089 0.609751 0.939151 Bi\n0.641089 0.890249 0.060849 Bi\n0.858911 0.109751 0.560849 Bi\n0.358911 0.390249 0.439151 Bi\n0.326012 0.406358 0.057474 Bi\n0.826012 0.093642 0.942526 Bi\n0.673988 0.906358 0.442526 Bi\n0.173988 0.593642 0.557474 Bi\n0.808397 0.375867 0.968948 Bi\n0.308397 0.124133 0.031052 Bi\n0.191603 0.875867 0.531052 Bi\n0.691603 0.624133 0.468948 Bi\n0.618216 0.936513 0.797847 Te\n0.118216 0.563487 0.202153 Te\n0.381784 0.436513 0.702153 Te\n0.881784 0.063487 0.297847 Te\n0.872774 0.891258 0.731258 Te\n0.372774 0.608742 0.268742 Te\n0.127226 0.391258 0.768742 Te\n0.627226 0.108742 0.231258 Te\n0.911482 0.743696 0.775162 Te\n0.411482 0.756304 0.224838 Te\n0.088518 0.243696 0.724838 Te\n0.588518 0.256304 0.275162 Te\n0.761951 0.677663 0.682440 Te\n0.261951 0.822337 0.317560 Te\n0.238049 0.177663 0.817560 Te\n0.738049 0.322337 0.182440 Te\n0.466488 0.721788 0.713283 Te\n0.966488 0.778212 0.286717 Te\n0.533512 0.221788 0.786717 Te\n0.033512 0.278212 0.213283 Te\n0.503298 0.781178 0.818624 Te\n0.003298 0.718822 0.181376 Te\n0.496702 0.281178 0.681376 Te\n0.996702 0.218822 0.318624 Te\n0.800282 0.516470 0.723274 Te\n0.300282 0.983530 0.276726 Te\n0.199718 0.016470 0.776726 Te\n0.699718 0.483530 0.223274 Te\n0.564469 0.491441 0.791309 Te\n0.064469 0.008559 0.208691 Te\n0.435531 0.991441 0.708691 Te\n0.935531 0.508559 0.291309 Te\n0.732393 0.754642 0.966739 Cl\n0.232393 0.745358 0.033261 Cl\n0.267607 0.254642 0.533261 Cl\n0.767607 0.245358 0.466739 Cl\n0.596521 0.727322 0.104747 Cl\n0.096521 0.772678 0.895253 Cl\n0.403479 0.227322 0.395253 Cl\n0.903479 0.272678 0.604747 Cl\n0.926820 0.612547 0.058856 Cl\n0.426820 0.887453 0.941144 Cl\n0.073180 0.112547 0.441144 Cl\n0.573180 0.387453 0.558856 Cl\n0.168588 0.452215 0.949415 Cl\n0.668588 0.047785 0.050585 Cl\n0.831412 0.952215 0.550585 Cl\n0.331412 0.547785 0.449415 Cl\n0.120763 0.582983 0.832175 Cl\n0.620763 0.917017 0.167825 Cl\n0.879237 0.082983 0.667825 Cl\n0.379237 0.417017 0.332175 Cl\n0.424957 0.623957 0.920687 Cl\n0.924957 0.876043 0.079313 Cl\n0.575043 0.123957 0.579313 Cl\n0.075043 0.376043 0.420687 Cl\n0.309222 0.558642 0.064320 Cl\n0.809222 0.941358 0.935680 Cl\n0.690778 0.058642 0.435680 Cl\n0.190778 0.441358 0.564320 Cl\n0.382881 0.407777 0.166922 Cl\n0.882881 0.092223 0.833078 Cl\n0.617119 0.907777 0.333078 Cl\n0.117119 0.592223 0.666922 Cl\n0.050382 0.385068 0.087503 Cl\n0.550382 0.114932 0.912497 Cl\n0.949618 0.885068 0.412497 Cl\n0.449618 0.614932 0.587503 Cl\n0.752684 0.245980 0.021653 Cl\n0.252684 0.254020 0.978347 Cl\n0.247316 0.745980 0.478347 Cl\n0.747316 0.754020 0.521653 Cl\n0.550216 0.381540 0.927362 Cl\n0.050216 0.118460 0.072638 Cl\n0.449784 0.881540 0.572638 Cl\n0.949784 0.618460 0.427362 Cl\n0.897213 0.294702 0.881360 Cl\n0.397213 0.205298 0.118640 Cl\n0.102787 0.794702 0.618640 Cl\n0.602787 0.705298 0.381360 Cl\n0.647869 0.454175 0.060771 Cl\n0.147869 0.045825 0.939229 Cl\n0.352131 0.954175 0.439229 Cl\n0.852131 0.545825 0.560771 Cl\n0.810580 0.553452 0.925491 Cl\n0.310580 0.946548 0.074509 Cl\n0.189420 0.053452 0.574509 Cl\n0.689420 0.446548 0.425491 Cl\n",
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],
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"density_atomic": 0.029329568263516598,
"volume": 3545.909679460466,
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"formula_full": "Bi16 Te32 Cl56",
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"spacegroup": 19
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{
"id": "mp-1212095",
"created_at": "2022-09-04T14:39:43.442312Z",
"structure_string": "Ho2 Cr2 Te2 O12\n1.0\n-2.701832 -4.679711 0.000000\n-2.701832 4.679711 0.000000\n0.000000 0.000000 -8.643686\nHo Cr Te O\n2 2 2 12\ndirect\n0.333333 0.666667 0.750000 Ho\n0.666667 0.333333 0.250000 Ho\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.666667 0.333333 0.750000 Te\n0.333333 0.666667 0.250000 Te\n0.958780 0.312113 0.876025 O\n0.041220 0.687887 0.123975 O\n0.353333 0.041220 0.876025 O\n0.353333 0.312113 0.623975 O\n0.646667 0.958780 0.123975 O\n0.646667 0.687887 0.376025 O\n0.687887 0.646667 0.876025 O\n0.687887 0.041220 0.623975 O\n0.312113 0.353333 0.123975 O\n0.312113 0.958780 0.376025 O\n0.958780 0.646667 0.623975 O\n0.041220 0.353333 0.376025 O\n",
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{
"id": "mp-771074",
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"structure_string": "Li14 Cr2 O12\n1.0\n2.820259 4.824833 0.000000\n-2.820259 4.824833 0.000000\n0.000000 0.004747 10.733919\nLi Cr O\n14 2 12\ndirect\n0.001016 0.621812 0.258905 Li\n0.999585 0.613338 0.861915 Li\n0.320111 0.707350 0.738311 Li\n0.026570 0.291568 0.741635 Li\n0.386955 0.614528 0.363254 Li\n0.334411 0.348022 0.592922 Li\n0.650804 0.688386 0.091986 Li\n0.348022 0.334411 0.092922 Li\n0.688386 0.650804 0.591986 Li\n0.614528 0.386955 0.863254 Li\n0.291568 0.026570 0.241635 Li\n0.707350 0.320111 0.238311 Li\n0.613338 0.999585 0.361915 Li\n0.621812 0.001016 0.758905 Li\n0.995261 0.009066 0.501991 Cr\n0.009066 0.995261 0.001991 Cr\n0.998341 0.704117 0.047907 O\n0.297171 0.712901 0.548496 O\n0.016571 0.285159 0.553589 O\n0.325348 0.363133 0.774834 O\n0.637511 0.689448 0.273737 O\n0.981472 0.996700 0.838673 O\n0.996700 0.981472 0.338673 O\n0.363133 0.325348 0.274834 O\n0.689448 0.637511 0.773737 O\n0.285159 0.016571 0.053589 O\n0.712901 0.297171 0.048496 O\n0.704117 0.998341 0.547907 O\n",
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"formula_full": "Li14 Cr2 O12",
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{
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"structure_string": "Zn2 H16 C8 N4 O12\n1.0\n8.292106 0.000000 0.000000\n0.000000 10.465367 0.000000\n-4.456358 0.000000 8.706038\nZn H C N O\n2 16 8 4 12\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.528775 0.029322 0.886628 H\n0.471225 0.529322 0.613372 H\n0.471225 0.970678 0.113372 H\n0.528775 0.470678 0.386628 H\n0.391644 0.073700 0.692784 H\n0.608356 0.573700 0.807216 H\n0.608356 0.926300 0.307216 H\n0.391644 0.426300 0.192784 H\n0.125533 0.058531 0.711400 H\n0.874467 0.558531 0.788600 H\n0.874467 0.941469 0.288600 H\n0.125533 0.441469 0.211400 H\n0.141889 0.197011 0.066716 H\n0.858111 0.697011 0.433284 H\n0.858111 0.802989 0.933284 H\n0.141889 0.302989 0.566716 H\n0.253710 0.036828 0.814740 C\n0.746290 0.536828 0.685260 C\n0.746290 0.963172 0.185260 C\n0.253710 0.463172 0.314740 C\n0.320185 0.142042 0.355203 C\n0.679815 0.642042 0.144797 C\n0.679815 0.857958 0.644797 C\n0.320185 0.357958 0.855203 C\n0.402195 0.043641 0.795002 N\n0.597805 0.543641 0.704998 N\n0.597805 0.956359 0.204998 N\n0.402195 0.456359 0.295002 N\n0.296511 0.065973 0.428889 O\n0.703489 0.565973 0.071111 O\n0.703489 0.934027 0.571111 O\n0.296511 0.434027 0.928889 O\n0.964045 0.836294 0.927083 O\n0.035955 0.336294 0.572917 O\n0.035955 0.163706 0.072917 O\n0.964045 0.663706 0.427083 O\n0.254859 0.008982 0.939849 O\n0.745141 0.508982 0.560151 O\n0.745141 0.991018 0.060151 O\n0.254859 0.491018 0.439849 O\n",
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{
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"structure_string": "Pm1 Se3\n1.0\n-2.080887 2.080887 5.379528\n2.080887 -2.080887 5.379528\n2.080887 2.080887 -5.379528\nPm Se\n1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.750000 0.250000 0.500000 Se\n0.250000 0.750000 0.500000 Se\n0.500000 0.500000 0.000000 Se\n",
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{
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{
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"structure_string": "Na1 Ni2 Mo2 O10\n1.0\n4.404207 2.966060 -2.254783\n4.404207 -2.966060 -2.254783\n0.263121 0.000000 -7.888265\nNa Ni Mo O\n1 2 2 10\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.425702 0.425702 0.772933 Mo\n0.574298 0.574298 0.227067 Mo\n0.721178 0.721178 0.988184 O\n0.278822 0.278822 0.011816 O\n0.332684 0.332684 0.616612 O\n0.667316 0.667316 0.383388 O\n0.297014 0.791332 0.739970 O\n0.702986 0.208668 0.260030 O\n0.208668 0.702986 0.260030 O\n0.791332 0.297014 0.739970 O\n0.193222 0.193222 0.415697 O\n0.806778 0.806778 0.584303 O\n",
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]
}