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{
"id": "mp-1178558",
"created_at": "2022-09-04T14:46:03.345796Z",
"structure_string": "Ba4 Li16 O12\n1.0\n2.910170 -4.610251 0.000000\n2.910170 4.610251 0.000000\n0.000000 0.000000 13.707457\nBa Li O\n4 16 12\ndirect\n0.978851 0.021149 0.656562 Ba\n0.521149 0.478851 0.156562 Ba\n0.021150 0.978850 0.343438 Ba\n0.478851 0.521149 0.843438 Ba\n0.163946 0.836054 0.822393 Li\n0.336054 0.663946 0.322393 Li\n0.797741 0.202259 0.840124 Li\n0.702259 0.297741 0.340124 Li\n0.809086 0.540897 0.506285 Li\n0.040897 0.309086 0.006285 Li\n0.959103 0.690914 0.993715 Li\n0.190914 0.459103 0.493715 Li\n0.540897 0.809086 0.493715 Li\n0.309086 0.040897 0.993715 Li\n0.690914 0.959103 0.006285 Li\n0.459103 0.190914 0.506285 Li\n0.663946 0.336054 0.677607 Li\n0.836054 0.163946 0.177607 Li\n0.297741 0.702259 0.659876 Li\n0.202259 0.797741 0.159876 Li\n0.491444 0.008556 0.750000 O\n0.508556 0.991444 0.250000 O\n0.311393 0.688607 0.008861 O\n0.188607 0.811393 0.508861 O\n0.495313 0.504687 0.600975 O\n0.004687 0.995313 0.100975 O\n0.991444 0.508556 0.750000 O\n0.008556 0.491444 0.250000 O\n0.811393 0.188607 0.491139 O\n0.688607 0.311393 0.991139 O\n0.995313 0.004687 0.899025 O\n0.504687 0.495313 0.399025 O\n",
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{
"id": "mp-699505",
"created_at": "2022-09-04T14:46:03.350850Z",
"structure_string": "K2 V10 Zn2 H32 O44\n1.0\n8.463774 0.000000 0.000000\n2.167035 10.882302 0.000000\n3.096504 4.658890 11.504167\nK V Zn H O\n2 10 2 32 44\ndirect\n0.183775 0.819466 0.478110 K\n0.816225 0.180534 0.521890 K\n0.673550 0.529889 0.993090 V\n0.326450 0.470111 0.006910 V\n0.623637 0.523630 0.756222 V\n0.376363 0.476370 0.243778 V\n0.360538 0.740432 0.035392 V\n0.639462 0.259568 0.964608 V\n0.314113 0.724288 0.781209 V\n0.685887 0.275712 0.218791 V\n0.655405 0.812145 0.796902 V\n0.344595 0.187855 0.203098 V\n0.831464 0.796301 0.178299 Zn\n0.168536 0.203699 0.821701 Zn\n0.384917 0.146566 0.493265 H\n0.615083 0.853434 0.506735 H\n0.885604 0.257439 0.032235 H\n0.114396 0.742561 0.967765 H\n0.403896 0.962930 0.691224 H\n0.596104 0.037070 0.308776 H\n0.367712 0.358943 0.861333 H\n0.632288 0.641057 0.138667 H\n0.416709 0.002469 0.909629 H\n0.583291 0.997531 0.090371 H\n0.089005 0.693440 0.326302 H\n0.910995 0.306560 0.673698 H\n0.392659 0.114843 0.961759 H\n0.607341 0.885157 0.038241 H\n0.145648 0.309990 0.963872 H\n0.854352 0.690010 0.036128 H\n0.109395 0.952813 0.890790 H\n0.890605 0.047187 0.109210 H\n0.993296 0.065560 0.805692 H\n0.006704 0.934440 0.194308 H\n0.682046 0.832564 0.463569 H\n0.317954 0.167436 0.536431 H\n0.145860 0.514557 0.865868 H\n0.854140 0.485443 0.134132 H\n0.042524 0.821153 0.729717 H\n0.957476 0.178847 0.270283 H\n0.965923 0.447317 0.382251 H\n0.034077 0.552683 0.617749 H\n0.094486 0.512339 0.587495 H\n0.905514 0.487661 0.412505 H\n0.287013 0.255532 0.375667 H\n0.712987 0.744468 0.624333 H\n0.456531 0.872334 0.718855 O\n0.543469 0.127666 0.281145 O\n0.479609 0.615195 0.905710 O\n0.520391 0.384805 0.094290 O\n0.539504 0.611907 0.120146 O\n0.460496 0.388093 0.879854 O\n0.776466 0.669159 0.911154 O\n0.223534 0.330841 0.088846 O\n0.265196 0.573356 0.106065 O\n0.734804 0.426644 0.893935 O\n0.428832 0.638673 0.696627 O\n0.571168 0.361327 0.303373 O\n0.725825 0.451069 0.667141 O\n0.274175 0.548931 0.332859 O\n0.731316 0.691912 0.703809 O\n0.268684 0.308088 0.296191 O\n0.508227 0.848530 0.932043 O\n0.491773 0.151470 0.067957 O\n0.273893 0.814424 0.123888 O\n0.726107 0.185576 0.876112 O\n0.206180 0.795651 0.924005 O\n0.793820 0.204349 0.075995 O\n0.227423 0.067012 0.277243 O\n0.772577 0.932988 0.722757 O\n0.176946 0.577092 0.894142 O\n0.823054 0.422908 0.105858 O\n0.156213 0.836549 0.692633 O\n0.843787 0.163451 0.307367 O\n0.400329 0.329949 0.676970 O\n0.599671 0.670051 0.323030 O\n0.853934 0.751730 0.340865 O\n0.146066 0.248270 0.659135 O\n0.370991 0.096194 0.897840 O\n0.629009 0.903806 0.102160 O\n0.506087 0.265559 0.628062 O\n0.493913 0.734441 0.371938 O\n0.157469 0.341374 0.879296 O\n0.842531 0.658626 0.120704 O\n0.043643 0.041592 0.874291 O\n0.956357 0.958408 0.125709 O\n0.444608 0.526378 0.527398 O\n0.555392 0.473622 0.472602 O\n0.977912 0.226459 0.663926 O\n0.022088 0.773541 0.336074 O\n",
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"formula_full": "K2 V10 Zn2 H32 O44",
"formula_reduced": "KV5Zn(H8O11)2",
"formula_anonymous": "ABC5D16E22",
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{
"id": "mp-756860",
"created_at": "2022-09-04T14:46:03.352279Z",
"structure_string": "Li1 Mn5 Cu2 O12\n1.0\n5.102253 0.048659 -0.061135\n2.216392 4.595972 0.061135\n-0.532515 0.839095 9.593445\nLi Mn Cu O\n1 5 2 12\ndirect\n0.925287 0.925287 0.750000 Li\n0.077284 0.077284 0.250000 Mn\n0.414927 0.414927 0.250000 Mn\n0.586359 0.586359 0.750000 Mn\n0.510570 0.995440 0.508131 Mn\n0.995440 0.510570 0.991869 Mn\n0.256331 0.256331 0.750000 Cu\n0.745200 0.745200 0.250000 Cu\n0.179211 0.309273 0.373778 O\n0.064973 0.748958 0.148105 O\n0.309273 0.179211 0.126222 O\n0.289182 0.532055 0.852899 O\n0.264239 0.950554 0.650361 O\n0.532055 0.289182 0.647101 O\n0.424752 0.740107 0.349532 O\n0.748958 0.064973 0.351895 O\n0.740107 0.424752 0.150468 O\n0.675644 0.806346 0.881275 O\n0.950554 0.264239 0.849639 O\n0.806346 0.675644 0.618725 O\n",
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{
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"created_at": "2022-09-04T14:46:03.355451Z",
"structure_string": "Cs2 Rb1 Pb1 F6\n1.0\n0.000000 4.966922 4.966922\n4.966922 0.000000 4.966922\n4.966922 4.966922 0.000000\nCs Rb Pb F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Pb\n0.228548 0.771452 0.771452 F\n0.228548 0.771452 0.228548 F\n0.771452 0.228548 0.771452 F\n0.771452 0.771452 0.228548 F\n0.228548 0.228548 0.771452 F\n0.771452 0.228548 0.228548 F\n",
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{
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{
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{
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"structure_string": "Sr4 V4 N8\n1.0\n6.293845 0.000000 0.039685\n0.000000 7.384769 0.000000\n-2.273464 0.000000 5.256976\nSr V N\n4 4 8\ndirect\n0.342796 0.925233 0.684732 Sr\n0.657204 0.425233 0.815268 Sr\n0.657204 0.074767 0.315268 Sr\n0.342796 0.574767 0.184732 Sr\n0.121346 0.356050 0.572920 V\n0.878654 0.856050 0.927080 V\n0.878654 0.643950 0.427080 V\n0.121346 0.143950 0.072920 V\n0.208731 0.902420 0.072027 N\n0.791269 0.402420 0.427973 N\n0.791269 0.097580 0.927973 N\n0.208731 0.597580 0.572027 N\n0.262411 0.273015 0.900402 N\n0.737589 0.773015 0.599598 N\n0.737589 0.726985 0.099598 N\n0.262411 0.226985 0.400402 N\n",
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"elements": [
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],
"chemical_system": "N-Sr-V",
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"density_atomic": 0.06530529307937719,
"volume": 245.00311147141383,
"volume_molar": 9.221520149492655,
"formula_full": "Sr4 V4 N8",
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"updated_at": "2021-11-28T01:37:20.991000Z",
"spacegroup": 14
},
{
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"structure_string": "Ca2 B4 H24 O20\n1.0\n6.587907 0.000000 0.000000\n0.000000 8.010537 0.000000\n0.000000 1.982078 7.776968\nCa B H O\n2 4 24 20\ndirect\n0.969911 0.000000 0.250000 Ca\n0.030089 0.000000 0.750000 Ca\n0.274910 0.816234 0.067980 B\n0.725090 0.183766 0.932020 B\n0.274910 0.183766 0.432020 B\n0.725090 0.816234 0.567980 B\n0.666508 0.367198 0.426122 H\n0.904240 0.378111 0.404158 H\n0.904240 0.621889 0.095842 H\n0.095760 0.621889 0.595842 H\n0.333492 0.632802 0.573878 H\n0.232791 0.353441 0.584525 H\n0.165721 0.337767 0.197124 H\n0.666508 0.632802 0.073878 H\n0.095760 0.378111 0.904158 H\n0.476558 0.784247 0.743730 H\n0.232791 0.646559 0.915475 H\n0.834279 0.662233 0.802876 H\n0.834279 0.337767 0.697124 H\n0.340538 0.082509 0.986632 H\n0.767209 0.646559 0.415475 H\n0.476558 0.215753 0.756270 H\n0.165721 0.662233 0.302876 H\n0.523442 0.215753 0.256270 H\n0.659462 0.917491 0.013368 H\n0.767209 0.353441 0.084525 H\n0.659462 0.082509 0.486632 H\n0.523442 0.784247 0.243730 H\n0.333492 0.367198 0.926122 H\n0.340538 0.917491 0.513368 H\n0.746394 0.772714 0.400152 O\n0.774508 0.995452 0.965790 O\n0.210572 0.422577 0.961072 O\n0.253606 0.772714 0.900152 O\n0.774508 0.004548 0.534210 O\n0.746394 0.227286 0.099848 O\n0.484817 0.774190 0.127947 O\n0.225492 0.995452 0.465790 O\n0.115775 0.730404 0.190383 O\n0.515183 0.225810 0.872053 O\n0.210572 0.577423 0.538928 O\n0.789428 0.577423 0.038928 O\n0.115775 0.269596 0.309617 O\n0.884225 0.730404 0.690383 O\n0.484817 0.225810 0.372053 O\n0.515183 0.774190 0.627947 O\n0.789428 0.422577 0.461072 O\n0.253606 0.227286 0.599848 O\n0.884225 0.269596 0.809617 O\n0.225492 0.004548 0.034210 O\n",
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],
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"volume": 410.411387453882,
"volume_molar": 4.9431102895083505,
"formula_full": "Ca2 B4 H24 O20",
"formula_reduced": "CaB2(H6O5)2",
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"total_magnetization": 9e-05,
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"updated_at": "2021-11-28T01:37:15.305000Z",
"spacegroup": 13
}
]
}