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{
"id": "mp-1064300",
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"structure_string": "K2 C2\n1.0\n2.183903 3.778402 0.000000\n-2.183903 3.778402 0.000000\n0.000000 2.483686 7.122821\nK C\n2 2\ndirect\n0.241509 0.758491 0.250000 K\n0.758491 0.241509 0.750000 K\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.000000 C\n",
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{
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"updated_at": "2021-11-28T01:34:57.682000Z",
"spacegroup": 2
},
{
"id": "mp-558613",
"created_at": "2022-09-04T14:40:20.002190Z",
"structure_string": "V2 H32 C12 N12 O14 F4\n1.0\n-7.752223 0.000000 0.000000\n-1.002078 -10.779605 0.000000\n3.490329 4.656672 9.287199\nV H C N O F\n2 32 12 12 14 4\ndirect\n0.372251 0.959691 0.328226 V\n0.627749 0.040309 0.671774 V\n0.900417 0.175433 0.406838 H\n0.951772 0.536972 0.713242 H\n0.214465 0.041421 0.972529 H\n0.731843 0.701428 0.827767 H\n0.230448 0.688671 0.608869 H\n0.569498 0.277073 0.161287 H\n0.961442 0.628333 0.330605 H\n0.951892 0.297562 0.043852 H\n0.604292 0.137854 0.007540 H\n0.239863 0.318555 0.828811 H\n0.315378 0.432727 0.013936 H\n0.200434 0.205423 0.224511 H\n0.268157 0.298572 0.172233 H\n0.219402 0.667229 0.086291 H\n0.099583 0.824567 0.593162 H\n0.000738 0.866791 0.362691 H\n0.048228 0.463028 0.286758 H\n0.831700 0.891424 0.420779 H\n0.760137 0.681445 0.171189 H\n0.799566 0.794577 0.775489 H\n0.999262 0.133209 0.637309 H\n0.168300 0.108576 0.579221 H\n0.038558 0.371667 0.669395 H\n0.684622 0.567273 0.986064 H\n0.062354 0.012883 0.804832 H\n0.769552 0.311329 0.391131 H\n0.780598 0.332771 0.913709 H\n0.937646 0.987117 0.195168 H\n0.395708 0.862146 0.992460 H\n0.048108 0.702438 0.956148 H\n0.785535 0.958579 0.027471 H\n0.430502 0.722927 0.838713 H\n0.360944 0.426530 0.549659 C\n0.498306 0.458229 0.692615 C\n0.639056 0.573470 0.450341 C\n0.141164 0.508768 0.879777 C\n0.387408 0.276598 0.507348 C\n0.482578 0.690077 0.351336 C\n0.501694 0.541771 0.307385 C\n0.612592 0.723402 0.492652 C\n0.517422 0.309923 0.648664 C\n0.244685 0.861189 0.801459 C\n0.755315 0.138811 0.198541 C\n0.858836 0.491232 0.120223 C\n0.373491 0.815390 0.883186 N\n0.746704 0.583157 0.090425 N\n0.188656 0.786920 0.657630 N\n0.172955 0.982101 0.863759 N\n0.867275 0.365592 0.016485 N\n0.827045 0.017899 0.136241 N\n0.959556 0.527381 0.257278 N\n0.811344 0.213080 0.342370 N\n0.132725 0.634408 0.983515 N\n0.253296 0.416843 0.909575 N\n0.040444 0.472619 0.742722 N\n0.626509 0.184610 0.116814 N\n0.169040 0.231493 0.145181 O\n0.265389 0.496148 0.491943 O\n0.318886 0.167493 0.391150 O\n0.430816 0.433053 0.194615 O\n0.569184 0.566947 0.805385 O\n0.681114 0.832507 0.608850 O\n0.615470 0.244796 0.715880 O\n0.830960 0.768507 0.854819 O\n0.073135 0.173379 0.603508 O\n0.400854 0.938833 0.177914 O\n0.384530 0.755204 0.284120 O\n0.734611 0.503852 0.508057 O\n0.599146 0.061167 0.822086 O\n0.926865 0.826621 0.396492 O\n0.885906 0.074945 0.715000 F\n0.114094 0.925055 0.285000 F\n0.630728 0.995838 0.456052 F\n0.369272 0.004162 0.543948 F\n",
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"density": 1.5968597592396185,
"density_atomic": 0.09792638814816111,
"volume": 776.0931597417151,
"volume_molar": 6.149660856365492,
"formula_full": "V2 H32 C12 N12 O14 F4",
"formula_reduced": "VH16C6N6O7F2",
"formula_anonymous": "AB2C6D6E7F16",
"energy": -487.54135708,
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"updated_at": "2021-11-28T01:34:57.681000Z",
"spacegroup": 2
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{
"id": "mp-26845",
"created_at": "2022-09-04T14:40:35.261486Z",
"structure_string": "Li6 Mn4 P6 O24\n1.0\n4.427990 7.627875 0.000000\n-4.427990 7.627875 0.000000\n0.000000 9.275302 6.824956\nLi Mn P O\n6 4 6 24\ndirect\n0.043274 0.592107 0.243460 Li\n0.592107 0.043274 0.743460 Li\n0.500000 0.500000 0.000000 Li\n0.407893 0.956726 0.256540 Li\n0.500000 0.500000 0.500000 Li\n0.956726 0.407893 0.756540 Li\n0.807139 0.787531 0.063615 Mn\n0.787531 0.807139 0.563615 Mn\n0.212469 0.192861 0.436385 Mn\n0.192861 0.212469 0.936385 Mn\n0.033450 0.706348 0.724120 P\n0.716258 0.283742 0.750000 P\n0.706348 0.033450 0.224120 P\n0.293652 0.966550 0.775880 P\n0.966550 0.293652 0.275880 P\n0.283742 0.716258 0.250000 P\n0.692613 0.055417 0.934979 O\n0.055417 0.692613 0.434979 O\n0.839389 0.681409 0.756164 O\n0.175621 0.504188 0.734598 O\n0.307387 0.944583 0.065021 O\n0.944583 0.307387 0.565021 O\n0.160611 0.318591 0.243836 O\n0.824379 0.495812 0.265402 O\n0.829620 0.103957 0.476601 O\n0.060268 0.284535 0.108731 O\n0.441589 0.687819 0.281744 O\n0.318591 0.160611 0.743836 O\n0.495812 0.824379 0.765402 O\n0.103957 0.829620 0.976601 O\n0.312181 0.558411 0.218256 O\n0.284535 0.060268 0.608731 O\n0.715465 0.939732 0.391269 O\n0.687819 0.441589 0.781743 O\n0.896043 0.170380 0.023399 O\n0.504188 0.175621 0.234598 O\n0.681409 0.839389 0.256164 O\n0.558411 0.312181 0.718256 O\n0.939732 0.715465 0.891269 O\n0.170380 0.896043 0.523399 O\n",
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{
"id": "mp-1197040",
"created_at": "2022-09-04T14:40:53.880273Z",
"structure_string": "Cd10 P8 O40\n1.0\n4.593525 9.109924 0.000000\n-4.593525 9.109924 0.000000\n0.000000 0.871943 9.754106\nCd P O\n10 8 40\ndirect\n0.129508 0.870492 0.250000 Cd\n0.870492 0.129508 0.750000 Cd\n0.734815 0.592023 0.188007 Cd\n0.407977 0.265185 0.311993 Cd\n0.265185 0.407977 0.811993 Cd\n0.592024 0.734815 0.688007 Cd\n0.810794 0.840006 0.369238 Cd\n0.159994 0.189206 0.130762 Cd\n0.189206 0.159994 0.630762 Cd\n0.840006 0.810794 0.869238 Cd\n0.895072 0.268727 0.407815 P\n0.731273 0.104928 0.092185 P\n0.104928 0.731273 0.592185 P\n0.268727 0.895072 0.907815 P\n0.097033 0.574312 0.122986 P\n0.425688 0.902967 0.377014 P\n0.902967 0.425688 0.877014 P\n0.574312 0.097033 0.622986 P\n0.876328 0.430779 0.373597 O\n0.569221 0.123672 0.126403 O\n0.123672 0.569221 0.626403 O\n0.430779 0.876328 0.873597 O\n0.725089 0.303863 0.407178 O\n0.696137 0.274911 0.092822 O\n0.274911 0.696137 0.592822 O\n0.303863 0.725089 0.907178 O\n0.008379 0.147273 0.294593 O\n0.852727 0.991621 0.205407 O\n0.991621 0.852727 0.705407 O\n0.147273 0.008379 0.794593 O\n0.968884 0.194999 0.550095 O\n0.805001 0.031116 0.949905 O\n0.031116 0.805001 0.449905 O\n0.194999 0.968884 0.050095 O\n0.084806 0.601446 0.965052 O\n0.398554 0.915194 0.534948 O\n0.915194 0.398554 0.034948 O\n0.601446 0.084806 0.465052 O\n0.185546 0.636464 0.182396 O\n0.363536 0.814454 0.317604 O\n0.814454 0.363536 0.817604 O\n0.636464 0.185546 0.682396 O\n0.199330 0.386327 0.159070 O\n0.613673 0.800670 0.340930 O\n0.800670 0.613673 0.840930 O\n0.386327 0.199330 0.659070 O\n0.920590 0.664031 0.187623 O\n0.335969 0.079410 0.312377 O\n0.079410 0.335969 0.812377 O\n0.664031 0.920590 0.687623 O\n0.512049 0.586049 0.189741 O\n0.413951 0.487951 0.310259 O\n0.487951 0.413951 0.810259 O\n0.586049 0.512049 0.689741 O\n0.805531 0.654836 0.525418 O\n0.345164 0.194469 0.974582 O\n0.194469 0.345164 0.474582 O\n0.654836 0.805531 0.025418 O\n",
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{
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"structure_string": "Gd1 Er1 Hg2\n1.0\n0.000000 3.726264 3.726264\n3.726264 0.000000 3.726264\n3.726264 3.726264 0.000000\nGd Er Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Er\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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{
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"structure_string": "Lu3 Sn3 Rh3\n1.0\n3.810942 -6.600745 0.000000\n3.810942 6.600745 0.000000\n0.000000 0.000000 3.661421\nLu Sn Rh\n3 3 3\ndirect\n0.401824 0.401824 0.500000 Lu\n0.598176 0.000000 0.500000 Lu\n0.000000 0.598176 0.500000 Lu\n0.732973 0.732973 0.000000 Sn\n0.267027 0.000000 0.000000 Sn\n0.000000 0.267027 0.000000 Sn\n0.666667 0.333333 0.000000 Rh\n0.333333 0.666667 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n",
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{
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"structure_string": "Ca6 Os4 N8\n1.0\n7.054883 -0.035469 0.004281\n-5.393295 6.891980 0.000000\n-0.083931 -0.065681 5.294621\nCa Os N\n6 4 8\ndirect\n0.226458 0.963312 0.043007 Ca\n0.773542 0.736853 0.456993 Ca\n0.773542 0.036688 0.956993 Ca\n0.226458 0.263147 0.543007 Ca\n0.000000 0.596907 0.750000 Ca\n0.000000 0.403093 0.250000 Ca\n0.548228 0.163899 0.582751 Os\n0.451772 0.615671 0.917249 Os\n0.451772 0.836101 0.417249 Os\n0.548228 0.384329 0.082751 Os\n0.215337 0.926026 0.528280 N\n0.784663 0.710690 0.971720 N\n0.784663 0.073974 0.471720 N\n0.215337 0.289310 0.028280 N\n0.687292 0.266915 0.923776 N\n0.312708 0.579622 0.576224 N\n0.312708 0.733085 0.076224 N\n0.687292 0.420378 0.423776 N\n",
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{
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{
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