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{
"id": "mp-630976",
"created_at": "2022-09-04T14:44:45.327962Z",
"structure_string": "In12 Ir4\n1.0\n7.116895 0.000000 0.000000\n0.000000 7.116895 0.000000\n0.000000 0.000000 7.321737\nIn Ir\n12 4\ndirect\n0.348262 0.348262 0.255683 In\n0.151738 0.848262 0.755683 In\n0.151738 0.848262 0.244317 In\n0.000000 0.500000 0.000000 In\n0.848262 0.151738 0.244317 In\n0.848262 0.151738 0.755683 In\n0.500000 0.000000 0.000000 In\n0.651738 0.651738 0.255683 In\n0.651738 0.651738 0.744317 In\n0.000000 0.500000 0.500000 In\n0.348262 0.348262 0.744317 In\n0.500000 0.000000 0.500000 In\n0.155071 0.155071 0.000000 Ir\n0.655071 0.344929 0.500000 Ir\n0.344929 0.655071 0.500000 Ir\n0.844929 0.844929 0.000000 Ir\n",
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{
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"structure_string": "Ga4 Bi1 As3\n1.0\n-2.963541 -2.963541 0.000000\n-2.972624 2.972624 -5.922481\n2.972624 -2.972624 -5.922481\nGa Bi As\n4 1 3\ndirect\n0.500000 0.360934 0.360934 Ga\n0.000000 0.367092 0.894361 Ga\n0.000000 0.894361 0.367092 Ga\n0.500000 0.876144 0.876144 Ga\n0.000000 0.501290 0.501290 Bi\n0.000000 0.000478 0.000478 As\n0.500000 0.000059 0.499641 As\n0.500000 0.499641 0.000059 As\n",
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"formula_full": "Ga4 Bi1 As3",
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{
"id": "mp-1194597",
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"structure_string": "Rb4 Ta4 V8 O32\n1.0\n5.686335 0.000000 0.000000\n0.000000 9.209233 0.000000\n0.000000 0.000000 15.202708\nRb Ta V O\n4 4 8 32\ndirect\n0.250000 0.447543 0.613794 Rb\n0.250000 0.052457 0.113794 Rb\n0.750000 0.552457 0.386206 Rb\n0.750000 0.947543 0.886206 Rb\n0.250000 0.995961 0.658789 Ta\n0.250000 0.504039 0.158789 Ta\n0.750000 0.004039 0.341211 Ta\n0.750000 0.495961 0.841211 Ta\n0.250000 0.247359 0.837926 V\n0.250000 0.252641 0.337926 V\n0.750000 0.752641 0.162074 V\n0.750000 0.747359 0.662074 V\n0.250000 0.819366 0.438359 V\n0.250000 0.680634 0.938359 V\n0.750000 0.180634 0.561641 V\n0.750000 0.319366 0.061641 V\n0.997289 0.350809 0.809392 O\n0.502711 0.149191 0.309392 O\n0.497289 0.649191 0.190608 O\n0.002711 0.850809 0.690608 O\n0.002711 0.649191 0.190608 O\n0.497289 0.850809 0.690608 O\n0.502711 0.350809 0.809392 O\n0.997289 0.149191 0.309392 O\n0.996125 0.861326 0.374489 O\n0.503875 0.638674 0.874489 O\n0.496125 0.138674 0.625511 O\n0.003875 0.361326 0.125511 O\n0.003875 0.138674 0.625511 O\n0.496125 0.361326 0.125511 O\n0.503875 0.861326 0.374489 O\n0.996125 0.638674 0.874489 O\n0.250000 0.077205 0.780389 O\n0.250000 0.422795 0.280389 O\n0.750000 0.922795 0.219611 O\n0.750000 0.577205 0.719611 O\n0.250000 0.921027 0.536666 O\n0.250000 0.578973 0.036666 O\n0.750000 0.078973 0.463334 O\n0.750000 0.421027 0.963334 O\n0.250000 0.213705 0.943932 O\n0.250000 0.286295 0.443932 O\n0.750000 0.786295 0.056068 O\n0.750000 0.713705 0.556068 O\n0.250000 0.643465 0.459589 O\n0.250000 0.856535 0.959589 O\n0.750000 0.356535 0.540411 O\n0.750000 0.143465 0.040411 O\n",
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"formula_full": "Rb4 Ta4 V8 O32",
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},
{
"id": "mp-1183991",
"created_at": "2022-09-04T14:44:44.820550Z",
"structure_string": "Eu1 Mg16 Al12\n1.0\n-5.308287 5.308287 5.308287\n5.308287 -5.308287 5.308287\n5.308287 5.308287 -5.308287\nEu Mg Al\n1 16 12\ndirect\n0.000000 0.000000 0.000000 Eu\n0.358133 0.000000 0.000000 Mg\n0.602670 0.319734 0.000000 Mg\n0.319734 0.602670 0.000000 Mg\n0.000000 0.358133 0.000000 Mg\n0.397330 0.397330 0.717064 Mg\n0.282936 0.680266 0.680266 Mg\n0.680266 0.282936 0.680266 Mg\n0.641867 0.641867 0.641867 Mg\n0.319734 0.000000 0.602670 Mg\n0.000000 0.319734 0.602670 Mg\n0.397330 0.717064 0.397330 Mg\n0.717064 0.397330 0.397330 Mg\n0.000000 0.000000 0.358133 Mg\n0.000000 0.602670 0.319734 Mg\n0.602670 0.000000 0.319734 Mg\n0.680266 0.680266 0.282936 Mg\n0.632576 0.812243 0.000000 Al\n0.812243 0.632576 0.000000 Al\n0.187757 0.187757 0.820332 Al\n0.632576 0.000000 0.812243 Al\n0.000000 0.632576 0.812243 Al\n0.812243 0.000000 0.632576 Al\n0.000000 0.812243 0.632576 Al\n0.179668 0.367424 0.367424 Al\n0.367424 0.179668 0.367424 Al\n0.820332 0.187757 0.187757 Al\n0.187757 0.820332 0.187757 Al\n0.367424 0.367424 0.179668 Al\n",
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"elements": [
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"volume": 598.3057519262863,
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"formula_full": "Eu1 Mg16 Al12",
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"formula_anonymous": "AB12C16",
"energy": -82.58055918,
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{
"id": "mp-1215917",
"created_at": "2022-09-04T14:44:44.982965Z",
"structure_string": "Zr16 Ni4 Mo4\n1.0\n0.000000 6.233102 6.233102\n6.233102 0.000000 6.233102\n6.233102 6.233102 0.000000\nZr Ni Mo\n16 4 4\ndirect\n0.191217 0.602928 0.602928 Zr\n0.602928 0.191217 0.602928 Zr\n0.602928 0.602928 0.602928 Zr\n0.602928 0.602928 0.191217 Zr\n0.451490 0.451490 0.048510 Zr\n0.048510 0.048510 0.451490 Zr\n0.451490 0.048510 0.048510 Zr\n0.048510 0.451490 0.451490 Zr\n0.048510 0.451490 0.048510 Zr\n0.451490 0.048510 0.451490 Zr\n0.815326 0.815326 0.184674 Zr\n0.184674 0.184674 0.815326 Zr\n0.815326 0.184674 0.184674 Zr\n0.184674 0.815326 0.815326 Zr\n0.184674 0.815326 0.184674 Zr\n0.815326 0.184674 0.815326 Zr\n0.824262 0.391913 0.391913 Ni\n0.391913 0.824262 0.391913 Ni\n0.391913 0.391913 0.391913 Ni\n0.391913 0.391913 0.824262 Ni\n0.502413 0.832529 0.832529 Mo\n0.832529 0.502413 0.832529 Mo\n0.832529 0.832529 0.832529 Mo\n0.832529 0.832529 0.502413 Mo\n",
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"formula_full": "Zr16 Ni4 Mo4",
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{
"id": "mp-1029531",
"created_at": "2022-09-04T14:44:45.088095Z",
"structure_string": "Sr6 Re2 N6\n1.0\n3.915042 -6.781051 0.000000\n3.915042 6.781051 0.000000\n0.000000 0.000000 5.427817\nSr Re N\n6 2 6\ndirect\n0.902231 0.644575 0.250000 Sr\n0.742345 0.097769 0.250000 Sr\n0.355425 0.257655 0.250000 Sr\n0.097769 0.355425 0.750000 Sr\n0.257655 0.902231 0.750000 Sr\n0.644575 0.742345 0.750000 Sr\n0.666667 0.333333 0.750000 Re\n0.333333 0.666667 0.250000 Re\n0.891967 0.578712 0.750000 N\n0.686745 0.108033 0.750000 N\n0.421288 0.313255 0.750000 N\n0.108033 0.421288 0.250000 N\n0.313255 0.891967 0.250000 N\n0.578712 0.686745 0.250000 N\n",
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"formula_full": "Sr6 Re2 N6",
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{
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"structure_string": "Li1 Ag1 F2\n1.0\n6.383583 -1.530434 0.000000\n6.383583 1.530434 0.000000\n6.016669 0.000000 2.625272\nLi Ag F\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ag\n0.110170 0.110170 0.110170 F\n0.889830 0.889830 0.889830 F\n",
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{
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"structure_string": "Pr6 Si4\n1.0\n7.882430 0.000000 0.000000\n0.000000 7.882430 0.000000\n0.000000 0.000000 4.341591\nPr Si\n6 4\ndirect\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.000000 Pr\n0.677516 0.177516 0.500000 Pr\n0.322484 0.822484 0.500000 Pr\n0.177516 0.322484 0.500000 Pr\n0.822484 0.677516 0.500000 Pr\n0.109409 0.609409 0.000000 Si\n0.890591 0.390591 0.000000 Si\n0.609409 0.890591 0.000000 Si\n0.390591 0.109409 0.000000 Si\n",
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"formula_full": "Pr6 Si4",
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"energy": -56.20118532,
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{
"id": "mp-1179758",
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"structure_string": "Rh4 N20 Cl12\n1.0\n16.924005 0.000000 0.000000\n0.000000 5.884437 0.000000\n0.000000 0.000000 7.886624\nRh N Cl\n4 20 12\ndirect\n0.646111 0.250000 0.289770 Rh\n0.146111 0.250000 0.210230 Rh\n0.353889 0.750000 0.710230 Rh\n0.853889 0.750000 0.789770 Rh\n0.575387 0.516617 0.299101 N\n0.075387 0.983383 0.200899 N\n0.424613 0.016617 0.700899 N\n0.924613 0.483383 0.799101 N\n0.424613 0.483383 0.700899 N\n0.924613 0.016617 0.799101 N\n0.575387 0.983383 0.299101 N\n0.075387 0.516617 0.200899 N\n0.433231 0.250000 0.146233 N\n0.933231 0.250000 0.353767 N\n0.566769 0.750000 0.853767 N\n0.066769 0.750000 0.646233 N\n0.696297 0.250000 0.099516 N\n0.196297 0.250000 0.400484 N\n0.303703 0.750000 0.900484 N\n0.803703 0.750000 0.599516 N\n0.707566 0.250000 0.462742 N\n0.207566 0.250000 0.037258 N\n0.292434 0.750000 0.537258 N\n0.792434 0.750000 0.962742 N\n0.414187 0.250000 0.600585 Cl\n0.914187 0.250000 0.899415 Cl\n0.585813 0.750000 0.399415 Cl\n0.085813 0.750000 0.100585 Cl\n0.622687 0.514097 0.851828 Cl\n0.122687 0.985903 0.648172 Cl\n0.377313 0.014097 0.148172 Cl\n0.877313 0.485903 0.351828 Cl\n0.377313 0.485903 0.148172 Cl\n0.877313 0.014097 0.351828 Cl\n0.622687 0.985903 0.851828 Cl\n0.122687 0.514097 0.648172 Cl\n",
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"formula_full": "Rh4 N20 Cl12",
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{
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"structure_string": "Gd1 Co2 B2\n1.0\n-1.778138 1.778138 4.775828\n1.778138 -1.778138 4.775828\n1.778138 1.778138 -4.775828\nGd Co B\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Co\n0.344752 0.344752 0.000000 B\n0.655248 0.655248 0.000000 B\n",
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{
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}