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{
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{
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"structure_string": "Rb2 Mg1 Cu4 H5 S4 O20\n1.0\n9.746903 -0.316349 6.228648\n4.191061 4.770477 0.539873\n-1.503042 0.330781 8.307020\nRb Mg Cu H S O\n2 1 4 5 4 20\ndirect\n0.982568 0.484230 0.488076 Rb\n0.531337 0.507386 0.477607 Rb\n0.242008 0.405804 0.715441 Mg\n0.256007 0.987774 0.992199 Cu\n0.253911 0.471518 0.034912 Cu\n0.760051 0.990687 0.990592 Cu\n0.758902 0.486500 0.001967 Cu\n0.037631 0.455230 0.004385 H\n0.308356 0.706060 0.208906 H\n0.480061 0.520699 0.024729 H\n0.706909 0.301481 0.810441 H\n0.786208 0.723442 0.185970 H\n0.431884 0.085163 0.277791 S\n0.088042 0.908762 0.679496 S\n0.938727 0.060779 0.262094 S\n0.562290 0.933570 0.723236 S\n0.046361 0.137558 0.194987 O\n0.039646 0.760243 0.229715 O\n0.320973 0.195224 0.198662 O\n0.332961 0.180474 0.478283 O\n0.158007 0.340365 0.943551 O\n0.355411 0.644223 0.077403 O\n0.165976 0.857997 0.485624 O\n0.529076 0.178226 0.229405 O\n0.214927 0.755910 0.741968 O\n0.436303 0.244190 0.774098 O\n0.536459 0.784212 0.221392 O\n0.842637 0.143984 0.163842 O\n0.470163 0.827165 0.787065 O\n0.835988 0.192866 0.455474 O\n0.666582 0.336625 0.940117 O\n0.840916 0.658413 0.054846 O\n0.654390 0.832815 0.527965 O\n0.661300 0.867211 0.812718 O\n0.976823 0.202289 0.772709 O\n0.004495 0.784050 0.731550 O\n",
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{
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"structure_string": "Mg30 Ti1 Sn1 O32\n1.0\n8.601693 0.000000 0.000000\n0.000000 8.601693 0.000000\n0.000000 0.000000 8.626162\nMg Ti Sn 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\n0.252396 0.252396 0.000000 Mg\n0.252396 0.747604 0.000000 Mg\n0.747604 0.252396 0.000000 Mg\n0.747604 0.747604 0.000000 Mg\n0.250531 0.250531 0.500000 Mg\n0.250531 0.749469 0.500000 Mg\n0.749469 0.250531 0.500000 Mg\n0.749469 0.749469 0.500000 Mg\n0.000000 0.254604 0.254884 Mg\n0.000000 0.745396 0.254884 Mg\n0.500000 0.250819 0.251303 Mg\n0.500000 0.749181 0.251303 Mg\n0.000000 0.254604 0.745116 Mg\n0.000000 0.745396 0.745116 Mg\n0.500000 0.250819 0.748697 Mg\n0.500000 0.749181 0.748697 Mg\n0.254604 0.000000 0.254884 Mg\n0.250819 0.500000 0.251303 Mg\n0.745396 0.000000 0.254884 Mg\n0.749181 0.500000 0.251303 Mg\n0.254604 0.000000 0.745116 Mg\n0.250819 0.500000 0.748697 Mg\n0.745396 0.000000 0.745116 Mg\n0.749181 0.500000 0.748697 Mg\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.270091 O\n0.000000 0.500000 0.253405 O\n0.500000 0.000000 0.253405 O\n0.500000 0.500000 0.260771 O\n0.000000 0.000000 0.729909 O\n0.000000 0.500000 0.746595 O\n0.500000 0.000000 0.746595 O\n0.500000 0.500000 0.739229 O\n0.249595 0.249595 0.249142 O\n0.249595 0.750405 0.249142 O\n0.750405 0.249595 0.249142 O\n0.750405 0.750405 0.249142 O\n0.249595 0.249595 0.750858 O\n0.249595 0.750405 0.750858 O\n0.750405 0.249595 0.750858 O\n0.750405 0.750405 0.750858 O\n0.000000 0.269936 0.000000 O\n0.000000 0.730064 0.000000 O\n0.500000 0.249274 0.000000 O\n0.500000 0.750726 0.000000 O\n0.000000 0.252966 0.500000 O\n0.000000 0.747034 0.500000 O\n0.500000 0.249236 0.500000 O\n0.500000 0.750764 0.500000 O\n0.269936 0.000000 0.000000 O\n0.249274 0.500000 0.000000 O\n0.730064 0.000000 0.000000 O\n0.750726 0.500000 0.000000 O\n0.252966 0.000000 0.500000 O\n0.249236 0.500000 0.500000 O\n0.747034 0.000000 0.500000 O\n0.750764 0.500000 0.500000 O\n",
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"spacegroup": 123
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{
"id": "mp-1112152",
"created_at": "2022-09-04T14:41:28.480451Z",
"structure_string": "K2 Hg1 Mo1 F6\n1.0\n6.900954 0.000000 0.000000\n3.450477 5.976401 0.000000\n3.450477 1.992134 5.634605\nK Hg Mo F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Mo\n0.203126 0.796874 0.203126 F\n0.796874 0.796874 0.203126 F\n0.796874 0.203126 0.796874 F\n0.796874 0.203126 0.203126 F\n0.203126 0.796874 0.796874 F\n0.203126 0.203126 0.796874 F\n",
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{
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"structure_string": "In1 Ni2 Au1\n1.0\n0.000000 3.110481 3.110481\n3.110481 0.000000 3.110481\n3.110481 3.110481 0.000000\nIn Ni Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750000 0.750000 Ni\n0.500000 0.500000 0.500000 Au\n",
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{
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"structure_string": "Y6 Th2\n1.0\n3.616627 -6.264182 0.000000\n3.616627 6.264182 0.000000\n0.000000 0.000000 5.810556\nY Th\n6 2\ndirect\n0.168054 0.336108 0.250000 Y\n0.663892 0.831946 0.250000 Y\n0.168054 0.831946 0.250000 Y\n0.831946 0.663892 0.750000 Y\n0.336108 0.168054 0.750000 Y\n0.831946 0.168054 0.750000 Y\n0.333333 0.666667 0.750000 Th\n0.666667 0.333333 0.250000 Th\n",
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{
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{
"id": "mp-1220973",
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"structure_string": "Na10 Fe6 Ag4 As16 O56\n1.0\n4.360570 5.082519 0.000000\n-4.360570 5.082519 0.000000\n0.000000 2.079096 29.188712\nNa Fe Ag As O\n10 6 4 16 56\ndirect\n0.097760 0.338023 0.947709 Na\n0.661977 0.902240 0.552291 Na\n0.902240 0.661977 0.052291 Na\n0.338023 0.097760 0.447709 Na\n0.528872 0.471128 0.750000 Na\n0.471128 0.528872 0.250000 Na\n0.325080 0.101907 0.848276 Na\n0.898093 0.674920 0.651724 Na\n0.674920 0.898093 0.151724 Na\n0.101907 0.325080 0.348276 Na\n0.661578 0.705191 0.936535 Fe\n0.294809 0.338422 0.563465 Fe\n0.338422 0.294809 0.063465 Fe\n0.705191 0.661578 0.436535 Fe\n0.132477 0.867523 0.750000 Fe\n0.867523 0.132477 0.250000 Fe\n0.839053 0.115331 0.855084 Ag\n0.884669 0.160947 0.644916 Ag\n0.160947 0.884669 0.144916 Ag\n0.115331 0.839053 0.355084 Ag\n0.382812 0.791917 0.035563 As\n0.208083 0.617188 0.464437 As\n0.617188 0.208083 0.964437 As\n0.791917 0.382812 0.535563 As\n0.154758 0.824115 0.942677 As\n0.175885 0.845242 0.557323 As\n0.845242 0.175885 0.057323 As\n0.824115 0.154758 0.442677 As\n0.011535 0.393822 0.747985 As\n0.606178 0.988465 0.752015 As\n0.988465 0.606178 0.252015 As\n0.393822 0.011535 0.247985 As\n0.950793 0.609124 0.840163 As\n0.390876 0.049207 0.659837 As\n0.049207 0.390876 0.159837 As\n0.609124 0.950793 0.340163 As\n0.104208 0.419262 0.865462 O\n0.580738 0.895792 0.634538 O\n0.895792 0.580738 0.134538 O\n0.419262 0.104208 0.365462 O\n0.841233 0.497450 0.793887 O\n0.502550 0.158767 0.706113 O\n0.158767 0.502550 0.206113 O\n0.497450 0.841233 0.293887 O\n0.273386 0.602293 0.062826 O\n0.397707 0.726614 0.437174 O\n0.726614 0.397707 0.937174 O\n0.602293 0.273386 0.562826 O\n0.374046 0.674951 0.926420 O\n0.325049 0.625954 0.573580 O\n0.625954 0.325049 0.073580 O\n0.674951 0.374046 0.426420 O\n0.198457 0.914332 0.997724 O\n0.085668 0.801543 0.502276 O\n0.801543 0.085668 0.002276 O\n0.914332 0.198457 0.497724 O\n0.098832 0.036662 0.909449 O\n0.963338 0.901168 0.590551 O\n0.901168 0.963338 0.090551 O\n0.036662 0.098832 0.409449 O\n0.854074 0.399423 0.704198 O\n0.600577 0.145926 0.795802 O\n0.145926 0.600577 0.295802 O\n0.399423 0.854074 0.204198 O\n0.605358 0.716428 0.005879 O\n0.283572 0.394642 0.494121 O\n0.394642 0.283572 0.994121 O\n0.716428 0.605358 0.505879 O\n0.064741 0.807224 0.816212 O\n0.192776 0.935259 0.683788 O\n0.935259 0.192776 0.183788 O\n0.807224 0.064741 0.316212 O\n0.183611 0.558427 0.739365 O\n0.441573 0.816389 0.760635 O\n0.816389 0.441573 0.260635 O\n0.558427 0.183611 0.239365 O\n0.117906 0.160295 0.768710 O\n0.839705 0.882094 0.731290 O\n0.882094 0.839705 0.231290 O\n0.160295 0.117906 0.268710 O\n0.401841 0.975626 0.072996 O\n0.024374 0.598159 0.427004 O\n0.598159 0.024374 0.927004 O\n0.975626 0.401841 0.572996 O\n0.962999 0.683918 0.954015 O\n0.316082 0.037001 0.545985 O\n0.037001 0.316082 0.045985 O\n0.683918 0.962999 0.454015 O\n0.738382 0.719082 0.869664 O\n0.280918 0.261618 0.630336 O\n0.261618 0.280918 0.130336 O\n0.719082 0.738382 0.369664 O\n",
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