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{
"id": "mp-569522",
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"structure_string": "Mn6 P24\n1.0\n5.111238 0.000000 0.000000\n-2.529316 -5.278805 0.000000\n-1.471579 0.470634 -16.278028\nMn P\n6 24\ndirect\n0.498880 0.817655 0.406303 Mn\n0.129445 0.120466 0.924762 Mn\n0.870555 0.879534 0.075238 Mn\n0.501120 0.182345 0.593697 Mn\n0.491083 0.449809 0.741172 Mn\n0.508917 0.550191 0.258828 Mn\n0.926256 0.758965 0.726450 P\n0.655685 0.247780 0.230136 P\n0.942979 0.472595 0.565507 P\n0.382924 0.134861 0.451209 P\n0.566008 0.429281 0.883537 P\n0.629115 0.504742 0.390209 P\n0.716776 0.173372 0.100159 P\n0.943815 0.852284 0.219285 P\n0.366048 0.858667 0.272285 P\n0.308050 0.190910 0.056064 P\n0.988510 0.428365 0.935002 P\n0.617076 0.865139 0.548791 P\n0.283224 0.826628 0.899841 P\n0.011490 0.571635 0.064998 P\n0.433992 0.570719 0.116463 P\n0.952706 0.121299 0.400207 P\n0.073744 0.241035 0.273550 P\n0.691950 0.809090 0.943936 P\n0.633952 0.141333 0.727715 P\n0.344315 0.752220 0.769864 P\n0.047294 0.878701 0.599793 P\n0.056185 0.147716 0.780715 P\n0.370885 0.495258 0.609791 P\n0.057021 0.527405 0.434493 P\n",
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{
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"formula_full": "Mn8 F28",
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{
"id": "mp-1228265",
"created_at": "2022-09-04T14:43:05.206283Z",
"structure_string": "Ba4 Ca4 Cu6 Hg2 O17\n1.0\n-2.730860 2.730860 16.023337\n2.730860 -2.730860 16.023337\n2.730860 2.730860 -16.023337\nBa Ca Cu Hg O\n4 4 6 2 17\ndirect\n0.087553 0.087553 0.000000 Ba\n0.582028 0.582028 0.000000 Ba\n0.912447 0.912447 0.000000 Ba\n0.417972 0.417972 0.000000 Ba\n0.199401 0.199401 0.000000 Ca\n0.698282 0.698282 0.000000 Ca\n0.800599 0.800599 0.000000 Ca\n0.301718 0.301718 0.000000 Ca\n0.650448 0.150448 0.500000 Cu\n0.150448 0.650448 0.500000 Cu\n0.349552 0.849552 0.500000 Cu\n0.849552 0.349552 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.500000 0.000000 0.500000 Hg\n0.000000 0.500000 0.500000 Hg\n0.564367 0.064367 0.500000 O\n0.064367 0.564367 0.500000 O\n0.435633 0.935633 0.500000 O\n0.935633 0.435633 0.500000 O\n0.903947 0.903947 0.503218 O\n0.400729 0.400729 0.496782 O\n0.903947 0.400729 0.000000 O\n0.400729 0.903947 0.000000 O\n0.599271 0.599271 0.503218 O\n0.096053 0.096053 0.496782 O\n0.599271 0.096053 0.000000 O\n0.096053 0.599271 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"density": 6.12846975732728,
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"volume": 477.982317437509,
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"formula_full": "Ba4 Ca4 Cu6 Hg2 O17",
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{
"id": "mp-559607",
"created_at": "2022-09-04T14:43:05.212794Z",
"structure_string": "Ti8 Tl8 P8 O40\n1.0\n6.578244 0.000000 0.000000\n0.000000 10.645584 0.000000\n0.000000 0.000000 13.108094\nTi Tl P O\n8 8 8 40\ndirect\n0.250000 0.750000 0.119434 Ti\n0.750000 0.750000 0.619434 Ti\n0.750000 0.250000 0.880566 Ti\n0.500000 0.500000 0.000000 Ti\n0.250000 0.250000 0.380566 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.047253 0.365347 0.643619 Tl\n0.952747 0.365347 0.143619 Tl\n0.952747 0.634653 0.356381 Tl\n0.452747 0.865347 0.856381 Tl\n0.452747 0.134653 0.643619 Tl\n0.047253 0.634653 0.856381 Tl\n0.547253 0.134653 0.143619 Tl\n0.547253 0.865347 0.356381 Tl\n0.584830 0.500000 0.750000 P\n0.415170 0.500000 0.250000 P\n0.084830 0.000000 0.250000 P\n0.750000 0.750000 0.069635 P\n0.915170 0.000000 0.750000 P\n0.750000 0.250000 0.430365 P\n0.250000 0.750000 0.569635 P\n0.250000 0.250000 0.930365 P\n0.450352 0.480283 0.653346 O\n0.708570 0.635481 0.997992 O\n0.208570 0.864519 0.497992 O\n0.720435 0.617970 0.735890 O\n0.291430 0.364519 0.002008 O\n0.950352 0.980283 0.346654 O\n0.560116 0.221213 0.364643 O\n0.060116 0.278787 0.864643 O\n0.779565 0.882030 0.735890 O\n0.939884 0.278787 0.364643 O\n0.796902 0.876748 0.527763 O\n0.549648 0.480283 0.153346 O\n0.939884 0.721213 0.135357 O\n0.703098 0.623252 0.527763 O\n0.220435 0.882030 0.235890 O\n0.279565 0.617970 0.235890 O\n0.560116 0.778787 0.135357 O\n0.703098 0.376748 0.972237 O\n0.203098 0.123252 0.472237 O\n0.049648 0.019717 0.653346 O\n0.796902 0.123252 0.972237 O\n0.208570 0.135481 0.002008 O\n0.791430 0.135481 0.502008 O\n0.049648 0.980283 0.846654 O\n0.708570 0.364519 0.502008 O\n0.439884 0.221213 0.864643 O\n0.791430 0.864519 0.997992 O\n0.450352 0.519717 0.846654 O\n0.296902 0.623252 0.027763 O\n0.060116 0.721213 0.635357 O\n0.720435 0.382030 0.764110 O\n0.220435 0.117970 0.264110 O\n0.439884 0.778787 0.635357 O\n0.549648 0.519717 0.346654 O\n0.779565 0.117970 0.764110 O\n0.203098 0.876748 0.027763 O\n0.279565 0.382030 0.264110 O\n0.950352 0.019717 0.153346 O\n0.291430 0.635481 0.497992 O\n0.296902 0.376748 0.472237 O\n",
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{
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"structure_string": "Rb2 Na1 Ru1 F6\n1.0\n0.000000 4.336310 4.336310\n4.336310 0.000000 4.336310\n4.336310 4.336310 0.000000\nRb Na Ru F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ru\n0.234399 0.234399 0.765601 F\n0.234399 0.765601 0.765601 F\n0.765601 0.765601 0.234399 F\n0.234399 0.765601 0.234399 F\n0.765601 0.234399 0.765601 F\n0.765601 0.234399 0.234399 F\n",
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{
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"structure_string": "Ba4 U8 I8 O52\n1.0\n0.000000 -6.995872 0.000000\n-8.028248 0.000000 1.088636\n-0.170429 0.000000 -22.109874\nBa U I O\n4 8 8 52\ndirect\n0.624759 0.133622 0.638994 Ba\n0.124759 0.866378 0.861006 Ba\n0.375241 0.866378 0.361006 Ba\n0.875241 0.133622 0.138994 Ba\n0.825846 0.603669 0.625618 U\n0.325846 0.396331 0.874382 U\n0.174154 0.396331 0.374382 U\n0.674154 0.603669 0.125618 U\n0.804603 0.474987 0.781327 U\n0.304603 0.525013 0.718673 U\n0.195397 0.525013 0.218673 U\n0.695397 0.474987 0.281327 U\n0.827283 0.839656 0.474313 I\n0.327283 0.160344 0.025687 I\n0.172717 0.160344 0.525687 I\n0.672717 0.839656 0.974313 I\n0.327059 0.699406 0.552111 I\n0.827059 0.300594 0.947889 I\n0.672941 0.300594 0.447889 I\n0.172941 0.699406 0.052111 I\n0.921788 0.695773 0.525767 O\n0.421788 0.304227 0.974233 O\n0.078212 0.304227 0.474233 O\n0.578212 0.695773 0.025767 O\n0.574783 0.780452 0.468514 O\n0.074783 0.219548 0.031486 O\n0.425217 0.219548 0.531486 O\n0.925217 0.780452 0.968514 O\n0.818534 0.029863 0.529383 O\n0.318534 0.970137 0.970617 O\n0.181466 0.970137 0.470617 O\n0.681466 0.029863 0.029383 O\n0.190551 0.611239 0.612735 O\n0.690551 0.388761 0.887265 O\n0.809449 0.388761 0.387265 O\n0.309449 0.611239 0.112735 O\n0.548168 0.591671 0.568957 O\n0.048168 0.408329 0.931043 O\n0.451832 0.408329 0.431043 O\n0.951832 0.591671 0.068957 O\n0.355862 0.907440 0.591649 O\n0.855862 0.092560 0.908351 O\n0.644138 0.092560 0.408351 O\n0.144138 0.907440 0.091649 O\n0.853733 0.380322 0.594342 O\n0.353733 0.619678 0.905658 O\n0.146267 0.619678 0.405658 O\n0.646267 0.380322 0.094342 O\n0.786104 0.827589 0.651523 O\n0.286104 0.172411 0.848477 O\n0.213896 0.172411 0.348477 O\n0.713896 0.827589 0.151523 O\n0.617752 0.525982 0.692601 O\n0.117752 0.474018 0.807399 O\n0.382248 0.474018 0.307399 O\n0.882248 0.525982 0.192601 O\n0.819672 0.253839 0.745693 O\n0.319672 0.746161 0.754307 O\n0.180328 0.746161 0.254307 O\n0.680328 0.253839 0.245693 O\n0.792032 0.690236 0.821399 O\n0.292032 0.309764 0.678601 O\n0.207968 0.309764 0.178601 O\n0.707968 0.690236 0.321399 O\n0.486565 0.438063 0.792868 O\n0.986565 0.561937 0.707132 O\n0.513435 0.561937 0.207132 O\n0.013435 0.438063 0.292868 O\n0.514350 0.006068 0.752717 O\n0.014350 0.993932 0.747283 O\n0.485650 0.993932 0.247283 O\n0.985650 0.006068 0.252717 O\n",
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{
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"structure_string": "Ba12 Ga4 P12\n1.0\n3.383402 -9.819484 0.000000\n3.383402 9.819484 0.000000\n0.000000 0.000000 13.141565\nBa Ga P\n12 4 12\ndirect\n0.827626 0.827626 0.349168 Ba\n0.327626 0.327626 0.150832 Ba\n0.672374 0.672374 0.849168 Ba\n0.172374 0.172374 0.650832 Ba\n0.485703 0.134636 0.870363 Ba\n0.634636 0.985703 0.629637 Ba\n0.014297 0.365364 0.370363 Ba\n0.865364 0.514297 0.129637 Ba\n0.514297 0.865364 0.129637 Ba\n0.365364 0.014297 0.370363 Ba\n0.985703 0.634636 0.629637 Ba\n0.134636 0.485703 0.870363 Ba\n0.083615 0.916385 0.000000 Ga\n0.416385 0.583615 0.500000 Ga\n0.916385 0.083615 0.000000 Ga\n0.583615 0.416385 0.500000 Ga\n0.301186 0.301186 0.404902 P\n0.801186 0.801186 0.095098 P\n0.198814 0.198814 0.904902 P\n0.698814 0.698814 0.595098 P\n0.847266 0.533921 0.383172 P\n0.033921 0.347266 0.116828 P\n0.652734 0.966079 0.883172 P\n0.466079 0.152734 0.616828 P\n0.152734 0.466079 0.616828 P\n0.966079 0.652734 0.883172 P\n0.347266 0.033921 0.116828 P\n0.533921 0.847266 0.383172 P\n",
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{
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