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{
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{
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{
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{
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"structure_string": "U2 Se1 N2\n1.0\n1.920418 -3.326262 0.000000\n1.920418 3.326262 0.000000\n0.000000 0.000000 6.856111\nU Se N\n2 1 2\ndirect\n0.666667 0.333333 0.704611 U\n0.333333 0.666667 0.295389 U\n0.000000 0.000000 0.000000 Se\n0.333333 0.666667 0.626234 N\n0.666667 0.333333 0.373766 N\n",
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{
"id": "mp-540927",
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"structure_string": "U2 P2 Cl20\n1.0\n7.433806 0.000000 0.000000\n-2.097216 7.486822 0.000000\n-0.273010 -0.359067 14.359969\nU P Cl\n2 2 20\ndirect\n0.000000 0.000000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.383206 0.587817 0.261709 P\n0.616794 0.412183 0.738291 P\n0.238643 0.839520 0.946905 Cl\n0.761357 0.160480 0.053095 Cl\n0.767549 0.700054 0.024053 Cl\n0.232451 0.299946 0.975947 Cl\n0.885541 0.996470 0.833108 Cl\n0.114459 0.003530 0.166892 Cl\n0.866424 0.176888 0.383503 Cl\n0.133576 0.823112 0.616497 Cl\n0.310841 0.080653 0.419623 Cl\n0.689159 0.919347 0.580377 Cl\n0.886932 0.718405 0.397763 Cl\n0.113068 0.281595 0.602237 Cl\n0.141697 0.523334 0.195604 Cl\n0.858303 0.476666 0.804396 Cl\n0.525514 0.826050 0.226324 Cl\n0.474486 0.173950 0.773676 Cl\n0.521583 0.415591 0.227439 Cl\n0.478417 0.584409 0.772561 Cl\n0.344047 0.584091 0.395766 Cl\n0.655953 0.415909 0.604234 Cl\n",
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{
"id": "mp-1228561",
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"structure_string": "Ba6 Ta12 Fe4 O42\n1.0\n4.599835 8.019333 0.000000\n-4.599835 8.019333 0.000000\n0.000000 0.059809 12.105506\nBa Ta Fe O\n6 12 4 42\ndirect\n0.993448 0.592737 0.749634 Ba\n0.407263 0.006552 0.750366 Ba\n0.599539 0.400461 0.750000 Ba\n0.006552 0.407263 0.250366 Ba\n0.592737 0.993448 0.249634 Ba\n0.400461 0.599539 0.250000 Ba\n0.679464 0.659949 0.499179 Ta\n0.320536 0.340051 0.500821 Ta\n0.340051 0.320536 0.000821 Ta\n0.659949 0.679464 0.999179 Ta\n0.755577 0.999342 0.596956 Ta\n0.245709 0.757634 0.591801 Ta\n0.244423 0.000658 0.403044 Ta\n0.754291 0.242366 0.408199 Ta\n0.999342 0.755577 0.096956 Ta\n0.757634 0.245709 0.091801 Ta\n0.000658 0.244423 0.903044 Ta\n0.242366 0.754291 0.908199 Ta\n0.001652 0.245225 0.591764 Fe\n0.998348 0.754775 0.408236 Fe\n0.245225 0.001652 0.091764 Fe\n0.754775 0.998348 0.908236 Fe\n0.998883 0.213346 0.750798 O\n0.786654 0.001117 0.749202 O\n0.206472 0.793528 0.750000 O\n0.001117 0.786654 0.249202 O\n0.213346 0.998883 0.250798 O\n0.793528 0.206472 0.250000 O\n0.000216 0.801732 0.576621 O\n0.204027 0.997339 0.574734 O\n0.792357 0.204277 0.573620 O\n0.999784 0.198268 0.423379 O\n0.795973 0.002661 0.425266 O\n0.207643 0.795723 0.426380 O\n0.997339 0.204027 0.074734 O\n0.801732 0.000216 0.076621 O\n0.204277 0.792357 0.073620 O\n0.002661 0.795973 0.925266 O\n0.198268 0.999784 0.923379 O\n0.795723 0.207643 0.926380 O\n0.481056 0.684751 0.597691 O\n0.828351 0.486732 0.599538 O\n0.684123 0.832496 0.598649 O\n0.518072 0.167920 0.596200 O\n0.171289 0.316755 0.600067 O\n0.314990 0.518780 0.599003 O\n0.518944 0.315249 0.402309 O\n0.171649 0.513268 0.400462 O\n0.315877 0.167504 0.401351 O\n0.481928 0.832080 0.403800 O\n0.828711 0.683245 0.399933 O\n0.685010 0.481220 0.400997 O\n0.518780 0.314990 0.099003 O\n0.167920 0.518072 0.096200 O\n0.316755 0.171289 0.100067 O\n0.486732 0.828351 0.099538 O\n0.832496 0.684123 0.098649 O\n0.684751 0.481056 0.097691 O\n0.481220 0.685010 0.900997 O\n0.832080 0.481928 0.903800 O\n0.683245 0.828711 0.899933 O\n0.513268 0.171649 0.900462 O\n0.167504 0.315877 0.901351 O\n0.315249 0.518944 0.902309 O\n",
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{
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"structure_string": "Li3 Cu2 F8\n1.0\n5.448924 0.000000 0.000000\n2.159692 5.356928 0.000000\n2.262666 2.142467 5.181211\nLi Cu F\n3 2 8\ndirect\n0.941320 0.935557 0.040093 Li\n0.113177 0.187216 0.484927 Li\n0.906674 0.820492 0.536427 Li\n0.528925 0.510668 0.239523 Cu\n0.473697 0.495907 0.754234 Cu\n0.334461 0.342304 0.606249 F\n0.344398 0.338059 0.157040 F\n0.793202 0.215052 0.763047 F\n0.825308 0.195600 0.283577 F\n0.167396 0.800282 0.720786 F\n0.212295 0.801805 0.228105 F\n0.654032 0.668558 0.853941 F\n0.705292 0.688322 0.332051 F\n",
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{
"id": "mp-1037840",
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"structure_string": "Mg30 Mn1 Bi1 O32\n1.0\n8.647889 0.000000 0.000000\n0.000000 8.647889 0.000000\n0.000000 0.000000 8.651521\nMg Mn Bi O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.244030 0.244030 0.000000 Mg\n0.244030 0.755970 0.000000 Mg\n0.755970 0.244030 0.000000 Mg\n0.755970 0.755970 0.000000 Mg\n0.249362 0.249362 0.500000 Mg\n0.249362 0.750638 0.500000 Mg\n0.750638 0.249362 0.500000 Mg\n0.750638 0.750638 0.500000 Mg\n0.000000 0.250214 0.251576 Mg\n0.000000 0.749786 0.251576 Mg\n0.500000 0.243364 0.256730 Mg\n0.500000 0.756636 0.256730 Mg\n0.000000 0.250214 0.748424 Mg\n0.000000 0.749786 0.748424 Mg\n0.500000 0.243364 0.743270 Mg\n0.500000 0.756636 0.743270 Mg\n0.250214 0.000000 0.251576 Mg\n0.243364 0.500000 0.256730 Mg\n0.749786 0.000000 0.251576 Mg\n0.756636 0.500000 0.256730 Mg\n0.250214 0.000000 0.748424 Mg\n0.243364 0.500000 0.743270 Mg\n0.749786 0.000000 0.748424 Mg\n0.756636 0.500000 0.743270 Mg\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.256423 O\n0.000000 0.500000 0.253102 O\n0.500000 0.000000 0.253102 O\n0.500000 0.500000 0.269711 O\n0.000000 0.000000 0.743577 O\n0.000000 0.500000 0.746898 O\n0.500000 0.000000 0.746898 O\n0.500000 0.500000 0.730289 O\n0.250861 0.250861 0.248720 O\n0.250861 0.749139 0.248720 O\n0.749139 0.250861 0.248720 O\n0.749139 0.749139 0.248720 O\n0.250861 0.250861 0.751280 O\n0.250861 0.749139 0.751280 O\n0.749139 0.250861 0.751280 O\n0.749139 0.749139 0.751280 O\n0.000000 0.254238 0.000000 O\n0.000000 0.745762 0.000000 O\n0.500000 0.231504 0.000000 O\n0.500000 0.768496 0.000000 O\n0.000000 0.250807 0.500000 O\n0.000000 0.749193 0.500000 O\n0.500000 0.247476 0.500000 O\n0.500000 0.752524 0.500000 O\n0.254238 0.000000 0.000000 O\n0.231504 0.500000 0.000000 O\n0.745762 0.000000 0.000000 O\n0.768496 0.500000 0.000000 O\n0.250807 0.000000 0.500000 O\n0.247476 0.500000 0.500000 O\n0.749193 0.000000 0.500000 O\n0.752524 0.500000 0.500000 O\n",
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{
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{
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"created_at": "2022-09-04T14:41:00.733566Z",
"structure_string": "Cu4 Mo1 W3 O16\n1.0\n0.058294 0.057280 -4.970773\n-3.958173 5.883521 0.030019\n5.559572 5.919374 -0.499244\nCu Mo W O\n4 1 3 16\ndirect\n0.253511 0.919340 0.422309 Cu\n0.254991 0.417830 0.924976 Cu\n0.744485 0.080931 0.575709 Cu\n0.745347 0.581509 0.074956 Cu\n0.252270 0.921996 0.904793 Mo\n0.253949 0.422471 0.408891 W\n0.745181 0.075626 0.092537 W\n0.746329 0.577409 0.590961 W\n0.429709 0.668430 0.454309 O\n0.430115 0.168336 0.954247 O\n0.569666 0.331652 0.546097 O\n0.572026 0.832853 0.045116 O\n0.428293 0.948481 0.700010 O\n0.428351 0.449714 0.199586 O\n0.571673 0.051897 0.301972 O\n0.570959 0.551193 0.800198 O\n0.052241 0.936716 0.153390 O\n0.055012 0.435448 0.650911 O\n0.948884 0.063662 0.848695 O\n0.944632 0.564083 0.349579 O\n0.094033 0.172600 0.444366 O\n0.093969 0.673357 0.945152 O\n0.907052 0.827080 0.556146 O\n0.907322 0.327386 0.055094 O\n",
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{
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"structure_string": "Ba2 Nd1 Mo1 O6\n1.0\n0.000000 4.330644 4.330644\n4.330644 0.000000 4.330644\n4.330644 4.330644 0.000000\nBa Nd Mo O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Mo\n0.231040 0.768960 0.231040 O\n0.768960 0.768960 0.231040 O\n0.231040 0.231040 0.768960 O\n0.231040 0.768960 0.768960 O\n0.768960 0.231040 0.768960 O\n0.768960 0.231040 0.231040 O\n",
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]
}