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{
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{
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{
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"structure_string": "Ba8 Na8 Fe8 F48\n1.0\n5.660158 0.000000 0.000000\n0.000000 10.058068 0.000000\n0.000000 0.000000 19.495661\nBa Na Fe F\n8 8 8 48\ndirect\n0.758797 0.366665 0.111526 Ba\n0.241203 0.866665 0.888474 Ba\n0.741203 0.366665 0.611526 Ba\n0.258797 0.866665 0.388474 Ba\n0.257400 0.001653 0.137562 Ba\n0.742600 0.501653 0.862438 Ba\n0.242600 0.001653 0.637562 Ba\n0.757400 0.501653 0.362438 Ba\n0.256168 0.640402 0.064575 Na\n0.743832 0.140402 0.935425 Na\n0.243832 0.640402 0.564575 Na\n0.756168 0.140402 0.435425 Na\n0.263594 0.227246 0.312939 Na\n0.736406 0.727246 0.687061 Na\n0.236406 0.227246 0.812939 Na\n0.763594 0.727246 0.187061 Na\n0.264307 0.263340 0.492340 Fe\n0.735693 0.763340 0.507660 Fe\n0.235693 0.263340 0.992340 Fe\n0.764307 0.763340 0.007660 Fe\n0.250802 0.604515 0.243190 Fe\n0.749198 0.104515 0.756810 Fe\n0.249198 0.604515 0.743190 Fe\n0.750802 0.104515 0.256810 Fe\n0.028894 0.171781 0.059223 F\n0.971106 0.671781 0.940777 F\n0.471106 0.171781 0.559223 F\n0.528894 0.671781 0.440777 F\n0.345769 0.118430 0.427724 F\n0.654231 0.618430 0.572276 F\n0.154231 0.118430 0.927724 F\n0.845769 0.618430 0.072276 F\n0.497766 0.164159 0.034426 F\n0.502234 0.664159 0.965574 F\n0.002234 0.164159 0.534426 F\n0.997766 0.664159 0.465574 F\n0.478672 0.543436 0.176281 F\n0.521328 0.043436 0.823719 F\n0.021328 0.543436 0.676281 F\n0.978672 0.043436 0.323719 F\n0.533882 0.194953 0.191787 F\n0.466118 0.694953 0.808213 F\n0.966118 0.194953 0.691787 F\n0.033882 0.694953 0.308213 F\n0.301325 0.459837 0.308030 F\n0.698675 0.959837 0.691970 F\n0.198675 0.459837 0.808030 F\n0.801325 0.959837 0.191970 F\n0.047095 0.322619 0.421780 F\n0.952905 0.822619 0.578220 F\n0.452905 0.322619 0.921780 F\n0.547095 0.822619 0.078220 F\n0.008454 0.202129 0.212140 F\n0.991546 0.702129 0.787860 F\n0.491546 0.202129 0.712140 F\n0.508454 0.702129 0.287860 F\n0.555125 0.354555 0.464575 F\n0.444875 0.854555 0.535425 F\n0.944875 0.354555 0.964575 F\n0.055125 0.854555 0.035425 F\n0.180814 0.749705 0.178189 F\n0.819186 0.249705 0.821811 F\n0.319186 0.749705 0.678189 F\n0.680814 0.249705 0.321811 F\n0.297044 0.407514 0.056339 F\n0.702956 0.907514 0.943661 F\n0.202956 0.407514 0.556339 F\n0.797044 0.907514 0.443661 F\n0.468566 0.012659 0.289327 F\n0.531434 0.512659 0.710673 F\n0.031434 0.012659 0.789327 F\n0.968566 0.512659 0.210673 F\n",
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{
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"structure_string": "Yb2 Ni8 B2\n1.0\n2.474663 -4.286242 0.000000\n2.474663 4.286242 0.000000\n0.000000 0.000000 6.856583\nYb Ni B\n2 8 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.666667 0.333333 0.500000 Ni\n0.333333 0.666667 0.500000 Ni\n0.500000 0.500000 0.793866 Ni\n0.500000 0.000000 0.793866 Ni\n0.000000 0.500000 0.793866 Ni\n0.500000 0.500000 0.206134 Ni\n0.500000 0.000000 0.206134 Ni\n0.000000 0.500000 0.206134 Ni\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n",
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"formula_full": "Yb2 Ni8 B2",
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{
"id": "mp-3534",
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"structure_string": "Ge2 Sb2 Te5\n1.0\n2.132416 -3.693453 0.000000\n2.132416 3.693453 0.000000\n0.000000 0.000000 17.999105\nGe Sb Te\n2 2 5\ndirect\n0.000000 0.000000 0.332252 Ge\n0.000000 0.000000 0.667748 Ge\n0.333333 0.666667 0.112658 Sb\n0.666667 0.333333 0.887342 Sb\n0.000000 0.000000 0.000000 Te\n0.333333 0.666667 0.790108 Te\n0.666667 0.333333 0.209892 Te\n0.333333 0.666667 0.411045 Te\n0.666667 0.333333 0.588955 Te\n",
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{
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"structure_string": "Mn6 P8 O32\n1.0\n6.322223 -0.001986 -0.000617\n3.151445 9.494155 0.287381\n0.000137 0.027008 10.889864\nMn P O\n6 8 32\ndirect\n0.365168 0.307498 0.251154 Mn\n0.634832 0.692502 0.748846 Mn\n0.000000 0.500000 0.000000 Mn\n0.327264 0.307556 0.750696 Mn\n0.672736 0.692444 0.249304 Mn\n0.500000 0.500000 0.500000 Mn\n0.422298 0.827795 0.490517 P\n0.577702 0.172205 0.509483 P\n0.780066 0.402269 0.754939 P\n0.219934 0.597731 0.245061 P\n0.250015 0.172210 0.009178 P\n0.182469 0.597678 0.745204 P\n0.817531 0.402322 0.254796 P\n0.749985 0.827790 0.990822 P\n0.368128 0.166293 0.882201 O\n0.731158 0.513050 0.359581 O\n0.631872 0.833707 0.117799 O\n0.465482 0.166145 0.382295 O\n0.534518 0.833855 0.617705 O\n0.941943 0.689875 0.721884 O\n0.767301 0.035414 0.532900 O\n0.243860 0.487169 0.140210 O\n0.962693 0.696047 0.991984 O\n0.788240 0.518933 0.145636 O\n0.327121 0.690220 0.769748 O\n0.341776 0.696068 0.491882 O\n0.412375 0.185862 0.113692 O\n0.658224 0.303932 0.508118 O\n0.268842 0.486950 0.640419 O\n0.058057 0.310125 0.278116 O\n0.692653 0.519067 0.645802 O\n0.672879 0.309780 0.230252 O\n0.307347 0.480933 0.354198 O\n0.587625 0.814138 0.886308 O\n0.401300 0.185986 0.613894 O\n0.982901 0.690170 0.269696 O\n0.598700 0.814014 0.386106 O\n0.197270 0.035671 0.033099 O\n0.211760 0.481067 0.854364 O\n0.037307 0.303953 0.008016 O\n0.017099 0.309830 0.730304 O\n0.368324 0.689822 0.221721 O\n0.232699 0.964586 0.467100 O\n0.802730 0.964329 0.966901 O\n0.631676 0.310178 0.778279 O\n0.756140 0.512831 0.859790 O\n",
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{
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"structure_string": "Li1 Y5 Mo2 O12\n1.0\n5.948730 0.000000 0.000000\n-2.974365 5.971369 -1.852887\n0.000000 0.023584 7.394381\nLi Y Mo O\n1 5 2 12\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.500000 Y\n0.196409 0.392816 0.844260 Y\n0.803591 0.607184 0.155740 Y\n0.794393 0.588786 0.641566 Y\n0.205607 0.411214 0.358434 Y\n0.731430 0.000000 0.000000 Mo\n0.268570 0.000000 0.000000 Mo\n0.001860 0.003721 0.810626 O\n0.998140 0.996279 0.189374 O\n0.493230 0.986461 0.198378 O\n0.506770 0.013539 0.801622 O\n0.617442 0.710625 0.434435 O\n0.906817 0.289375 0.565565 O\n0.382558 0.289375 0.565565 O\n0.404207 0.340679 0.094823 O\n0.063528 0.659321 0.905177 O\n0.595793 0.659321 0.905177 O\n0.936472 0.340679 0.094823 O\n0.093183 0.710625 0.434435 O\n",
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{
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"structure_string": "Rb6 Cr2 F14\n1.0\n8.224641 0.000000 0.000000\n0.000000 8.224641 0.000000\n0.000000 0.000000 6.044379\nRb Cr F\n6 2 14\ndirect\n0.191882 0.691882 0.500000 Rb\n0.691882 0.808118 0.500000 Rb\n0.308118 0.191882 0.500000 Rb\n0.808118 0.308118 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.388607 0.888607 0.776739 F\n0.611393 0.111393 0.776739 F\n0.111393 0.388607 0.776739 F\n0.888607 0.611393 0.776739 F\n0.388607 0.888607 0.223261 F\n0.888607 0.611393 0.223261 F\n0.111393 0.388607 0.223261 F\n0.611393 0.111393 0.223261 F\n0.000000 0.000000 0.500000 F\n0.500000 0.500000 0.500000 F\n0.840949 0.340949 0.000000 F\n0.340949 0.159051 0.000000 F\n0.659051 0.840949 0.000000 F\n0.159051 0.659051 0.000000 F\n",
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{
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"structure_string": "Li8 Fe5 O10\n1.0\n1.807292 5.144238 0.000000\n-1.807292 5.144238 0.000000\n0.000000 4.105870 13.873307\nLi Fe O\n8 5 10\ndirect\n0.785835 0.785835 0.535485 Li\n0.215401 0.215401 0.661714 Li\n0.776040 0.776040 0.755912 Li\n0.774375 0.774375 0.927289 Li\n0.215349 0.215349 0.052330 Li\n0.223263 0.223263 0.264894 Li\n0.786861 0.786861 0.146533 Li\n0.226525 0.226525 0.442313 Li\n0.501463 0.501463 0.199647 Fe\n0.500136 0.500136 0.598219 Fe\n0.505651 0.505651 0.398671 Fe\n0.499099 0.499099 0.998913 Fe\n0.494941 0.494941 0.802462 Fe\n0.625512 0.625512 0.869099 O\n0.374195 0.374195 0.318328 O\n0.366961 0.366961 0.730040 O\n0.353991 0.353991 0.528533 O\n0.359083 0.359083 0.924696 O\n0.640383 0.640383 0.074630 O\n0.640956 0.640956 0.472847 O\n0.637205 0.637205 0.262707 O\n0.635974 0.635974 0.681311 O\n0.363730 0.363730 0.130971 O\n",
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{
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},
{
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},
{
"id": "mp-568744",
"created_at": "2022-09-04T14:40:54.955753Z",
"structure_string": "Ba4 Cd6 Bi8\n1.0\n3.556061 -8.884857 0.000000\n3.556061 8.884857 0.000000\n0.000000 0.000000 9.432502\nBa Cd Bi\n4 6 8\ndirect\n0.883603 0.116397 0.577482 Ba\n0.383603 0.616397 0.922518 Ba\n0.616397 0.383603 0.077482 Ba\n0.116397 0.883603 0.422518 Ba\n0.471597 0.028403 0.750000 Cd\n0.528403 0.971597 0.250000 Cd\n0.028403 0.471597 0.250000 Cd\n0.971597 0.528403 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.814680 0.185320 0.948722 Bi\n0.685320 0.314680 0.448722 Bi\n0.185320 0.814680 0.051278 Bi\n0.697420 0.802580 0.250000 Bi\n0.802580 0.697420 0.750000 Bi\n0.197420 0.302580 0.250000 Bi\n0.302580 0.197420 0.750000 Bi\n0.314680 0.685320 0.551278 Bi\n",
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"density": 8.067030501918735,
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"volume": 596.0415646594195,
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"formula_full": "Ba4 Cd6 Bi8",
"formula_reduced": "Ba2Cd3Bi4",
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"updated_at": "2021-11-28T01:35:00.430000Z",
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}
]
}