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{
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{
"id": "mp-1102495",
"created_at": "2022-09-04T14:41:33.214086Z",
"structure_string": "Li4 Pr3 Ge4\n1.0\n4.468317 0.000000 0.000000\n0.000000 6.899446 0.000000\n-2.234159 -3.449723 7.431590\nLi Pr Ge\n4 3 4\ndirect\n0.670836 0.980565 0.341671 Li\n0.329164 0.019435 0.658329 Li\n0.329164 0.638894 0.658329 Li\n0.670836 0.361106 0.341671 Li\n0.000000 0.000000 0.000000 Pr\n0.131284 0.631284 0.262568 Pr\n0.868716 0.368716 0.737432 Pr\n0.500000 0.684036 0.000000 Ge\n0.500000 0.315964 0.000000 Ge\n0.786886 0.786886 0.573771 Ge\n0.213114 0.213114 0.426229 Ge\n",
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{
"id": "mp-1080455",
"created_at": "2022-09-04T14:41:33.221430Z",
"structure_string": "Ti2 Cu2 Si2 As2\n1.0\n3.569364 0.000000 0.000000\n0.000000 3.569364 0.000000\n0.000000 0.000000 9.242843\nTi Cu Si As\n2 2 2 2\ndirect\n0.000000 0.500000 0.783261 Ti\n0.500000 0.000000 0.216739 Ti\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.307055 As\n0.500000 0.000000 0.692945 As\n",
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"volume": 117.75714136961632,
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"formula_full": "Ti2 Cu2 Si2 As2",
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},
{
"id": "mp-1223675",
"created_at": "2022-09-04T14:41:48.350948Z",
"structure_string": "Ir1 Pd1\n1.0\n4.573513 -1.379758 0.000000\n4.573513 1.379758 0.000000\n4.157262 0.000000 2.353281\nIr Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Pd\n",
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"formula_full": "Ir1 Pd1",
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"spacegroup": 166
},
{
"id": "mp-1096932",
"created_at": "2022-09-04T14:41:33.203941Z",
"structure_string": "Cu2 Ge1 I6\n1.0\n0.000000 5.468092 5.468092\n5.468092 0.000000 5.468092\n5.468092 5.468092 0.000000\nCu Ge I\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Ge\n0.750619 0.750619 0.249381 I\n0.750619 0.249381 0.750619 I\n0.249381 0.750619 0.249381 I\n0.249381 0.249381 0.750619 I\n0.249381 0.750619 0.750619 I\n0.750619 0.249381 0.249381 I\n",
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"volume": 326.99223100293653,
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"formula_full": "Cu2 Ge1 I6",
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{
"id": "mp-1186370",
"created_at": "2022-09-04T14:41:33.206080Z",
"structure_string": "Ni6 Se2\n1.0\n2.576277 -4.462243 0.000000\n2.576277 4.462243 0.000000\n0.000000 0.000000 4.183437\nNi Se\n6 2\ndirect\n0.164096 0.328192 0.250000 Ni\n0.671808 0.835904 0.250000 Ni\n0.164096 0.835904 0.250000 Ni\n0.835904 0.671808 0.750000 Ni\n0.328192 0.164096 0.750000 Ni\n0.835904 0.164096 0.750000 Ni\n0.333333 0.666667 0.750000 Se\n0.666667 0.333333 0.250000 Se\n",
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"elements": [
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"formula_full": "Ni6 Se2",
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"spacegroup": 194
},
{
"id": "mp-1105118",
"created_at": "2022-09-04T14:41:33.245684Z",
"structure_string": "As8 O12\n1.0\n4.612469 0.000000 0.000000\n0.000000 8.827237 0.000000\n0.000000 2.392515 8.596732\nAs O\n8 12\ndirect\n0.795242 0.379561 0.084883 As\n0.295242 0.620439 0.915117 As\n0.941805 0.106589 0.894295 As\n0.441805 0.893411 0.105705 As\n0.409355 0.403624 0.615247 As\n0.909355 0.596376 0.384753 As\n0.370497 0.131103 0.435042 As\n0.870497 0.868897 0.564958 As\n0.674431 0.566415 0.953568 O\n0.174431 0.433585 0.046432 O\n0.737333 0.260092 0.949877 O\n0.237333 0.739908 0.050123 O\n0.644031 0.965643 0.922508 O\n0.144031 0.034357 0.077492 O\n0.740227 0.518690 0.577578 O\n0.240227 0.481310 0.422422 O\n0.548016 0.227514 0.570064 O\n0.048016 0.772486 0.429936 O\n0.186463 0.981157 0.590362 O\n0.686463 0.018843 0.409638 O\n",
"nsites": 20,
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"elements": [
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"chemical_system": "As-O",
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"volume": 350.01901256938044,
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"formula_full": "As8 O12",
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"updated_at": "2021-11-28T01:35:25.027000Z",
"spacegroup": 4
},
{
"id": "mp-1227922",
"created_at": "2022-09-04T14:41:33.246601Z",
"structure_string": "Er12 Cd72\n1.0\n-7.798123 7.856175 7.960949\n7.798123 -7.856175 7.960949\n7.798123 7.856175 -7.960949\nEr Cd\n12 72\ndirect\n0.807245 0.509400 0.702155 Er\n0.192755 0.490600 0.297845 Er\n0.192755 0.894910 0.702155 Er\n0.807245 0.105090 0.297845 Er\n0.108606 0.302091 0.806515 Er\n0.891394 0.697909 0.193485 Er\n0.495576 0.302091 0.193485 Er\n0.504424 0.697909 0.806515 Er\n0.301224 0.189745 0.490969 Er\n0.698776 0.810255 0.509031 Er\n0.301224 0.810255 0.111480 Er\n0.698776 0.189745 0.888520 Er\n0.999709 0.678280 0.001835 Cd\n0.323555 0.321720 0.321429 Cd\n0.000291 0.002126 0.678571 Cd\n0.676445 0.997874 0.998165 Cd\n0.000291 0.321720 0.998165 Cd\n0.676445 0.678280 0.678571 Cd\n0.999709 0.997874 0.321429 Cd\n0.323555 0.002126 0.001835 Cd\n0.595773 0.249052 0.653278 Cd\n0.404227 0.750948 0.346722 Cd\n0.404227 0.057505 0.653278 Cd\n0.595773 0.942495 0.346722 Cd\n0.941225 0.346604 0.594621 Cd\n0.058775 0.653396 0.405379 Cd\n0.751984 0.346604 0.405379 Cd\n0.248016 0.653396 0.594621 Cd\n0.344959 0.404071 0.749030 Cd\n0.655041 0.595929 0.250970 Cd\n0.344959 0.595929 0.940888 Cd\n0.655041 0.404071 0.059112 Cd\n0.741835 0.647365 0.905530 Cd\n0.258165 0.352635 0.094470 Cd\n0.258165 0.163694 0.905530 Cd\n0.741835 0.836306 0.094470 Cd\n0.856699 0.090654 0.766046 Cd\n0.143301 0.909346 0.233954 Cd\n0.324608 0.090654 0.233954 Cd\n0.675392 0.909346 0.766046 Cd\n0.095375 0.241053 0.336429 Cd\n0.904625 0.758947 0.663571 Cd\n0.095375 0.758947 0.854322 Cd\n0.904625 0.241053 0.145678 Cd\n0.589520 0.589520 0.000000 Cd\n0.410480 0.410480 0.000000 Cd\n0.595212 0.000000 0.595212 Cd\n0.404788 0.000000 0.404788 Cd\n0.000000 0.404347 0.404347 Cd\n0.000000 0.595653 0.595653 Cd\n0.500000 0.309413 0.809413 Cd\n0.500000 0.690587 0.190587 Cd\n0.691348 0.191348 0.500000 Cd\n0.308652 0.808652 0.500000 Cd\n0.188269 0.500000 0.688269 Cd\n0.811731 0.500000 0.311731 Cd\n0.778463 0.455015 0.918601 Cd\n0.463586 0.544985 0.323448 Cd\n0.221537 0.140138 0.676552 Cd\n0.536414 0.859862 0.081399 Cd\n0.860300 0.084129 0.542692 Cd\n0.139700 0.682392 0.223829 Cd\n0.541437 0.317608 0.457308 Cd\n0.458563 0.915871 0.776171 Cd\n0.318886 0.459621 0.540412 Cd\n0.919208 0.778474 0.459588 Cd\n0.080792 0.540379 0.859265 Cd\n0.681114 0.221526 0.140735 Cd\n0.221537 0.544985 0.081399 Cd\n0.536414 0.455015 0.676552 Cd\n0.778463 0.859862 0.323448 Cd\n0.463586 0.140138 0.918601 Cd\n0.139700 0.915871 0.457308 Cd\n0.860300 0.317608 0.776171 Cd\n0.458563 0.682392 0.542692 Cd\n0.541437 0.084129 0.223829 Cd\n0.681114 0.540379 0.459588 Cd\n0.080792 0.221526 0.540412 Cd\n0.919208 0.459621 0.140735 Cd\n0.318886 0.778474 0.859265 Cd\n0.914754 0.824129 0.909375 Cd\n0.085246 0.175871 0.090625 Cd\n0.085246 0.994621 0.909375 Cd\n0.914754 0.005379 0.090625 Cd\n",
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{
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"created_at": "2022-09-04T14:41:33.257155Z",
"structure_string": "U6 Co14 B4\n1.0\n2.475511 -4.287711 0.000000\n2.475511 4.287711 0.000000\n0.000000 0.000000 13.932431\nU Co B\n6 14 4\ndirect\n0.333333 0.666667 0.250000 U\n0.666667 0.333333 0.750000 U\n0.333333 0.666667 0.030014 U\n0.666667 0.333333 0.530014 U\n0.666667 0.333333 0.969986 U\n0.333333 0.666667 0.469986 U\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.834811 0.669621 0.146525 Co\n0.165189 0.834811 0.646525 Co\n0.669621 0.834811 0.646525 Co\n0.330379 0.165189 0.146525 Co\n0.834811 0.165189 0.146525 Co\n0.165189 0.330379 0.853475 Co\n0.165189 0.834811 0.853475 Co\n0.165189 0.330379 0.646525 Co\n0.669621 0.834811 0.853475 Co\n0.330379 0.165189 0.353475 Co\n0.834811 0.669621 0.353475 Co\n0.834811 0.165189 0.353475 Co\n0.000000 0.000000 0.250000 B\n0.000000 0.000000 0.750000 B\n0.333333 0.666667 0.750000 B\n0.666667 0.333333 0.250000 B\n",
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{
"id": "mp-1210719",
"created_at": "2022-09-04T14:41:33.454589Z",
"structure_string": "Lu4 V4 O8\n1.0\n-3.058402 3.058402 5.663629\n3.058402 -3.058402 5.663629\n3.058402 3.058402 -5.663629\nLu V O\n4 4 8\ndirect\n0.875000 0.625000 0.250000 Lu\n0.375000 0.625000 0.750000 Lu\n0.375000 0.625000 0.250000 Lu\n0.375000 0.125000 0.750000 Lu\n0.375000 0.125000 0.250000 V\n0.875000 0.125000 0.750000 V\n0.875000 0.125000 0.250000 V\n0.875000 0.625000 0.750000 V\n0.173947 0.415616 0.241669 O\n0.173947 0.932278 0.758331 O\n0.165616 0.423947 0.741669 O\n0.576053 0.834384 0.258331 O\n0.682278 0.423947 0.258331 O\n0.576053 0.317722 0.741669 O\n0.584384 0.826053 0.758331 O\n0.067722 0.826053 0.241669 O\n",
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{
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"structure_string": "Ba4 Ca4 O8\n1.0\n3.764124 0.000000 0.000000\n0.000000 6.324430 0.000000\n0.000000 0.000000 12.261734\nBa Ca O\n4 4 8\ndirect\n0.250000 0.593575 0.642214 Ba\n0.250000 0.093575 0.857786 Ba\n0.750000 0.406425 0.357786 Ba\n0.750000 0.906425 0.142214 Ba\n0.250000 0.908979 0.392709 Ca\n0.250000 0.408979 0.107291 Ca\n0.750000 0.591021 0.892709 Ca\n0.750000 0.091021 0.607291 Ca\n0.250000 0.215878 0.518318 O\n0.250000 0.715878 0.981682 O\n0.250000 0.651155 0.252285 O\n0.250000 0.151155 0.247715 O\n0.750000 0.848845 0.752285 O\n0.750000 0.348845 0.747715 O\n0.750000 0.784122 0.481682 O\n0.750000 0.284122 0.018318 O\n",
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{
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{
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}