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{
"id": "mp-1174840",
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{
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{
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"structure_string": "Zr9 Pt11\n1.0\n-5.247387 5.247387 3.430030\n5.247387 -5.247387 3.430030\n5.247387 5.247387 -3.430030\nZr Pt\n9 11\ndirect\n0.417914 0.246792 0.664706 Zr\n0.753208 0.417913 0.171121 Zr\n0.246792 0.582086 0.828879 Zr\n0.582086 0.753208 0.335294 Zr\n0.095416 0.307321 0.402738 Zr\n0.692679 0.095416 0.788095 Zr\n0.307321 0.904584 0.211905 Zr\n0.904584 0.692679 0.597262 Zr\n0.000000 0.000000 0.000000 Zr\n0.904857 0.563030 0.887035 Pt\n0.563030 0.675995 0.658173 Pt\n0.675995 0.017822 0.112965 Pt\n0.017822 0.904857 0.341827 Pt\n0.436970 0.324005 0.341827 Pt\n0.095143 0.436970 0.112965 Pt\n0.324005 0.982178 0.887035 Pt\n0.982178 0.095143 0.658173 Pt\n0.750000 0.250000 0.500000 Pt\n0.250000 0.750000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n",
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{
"id": "mp-757580",
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"structure_string": "Li2 P8 W2 O24\n1.0\n3.731078 7.901385 0.000000\n-3.731078 7.901385 0.000000\n0.000000 5.343962 8.182938\nLi P W O\n2 8 2 24\ndirect\n0.688524 0.311476 0.750000 Li\n0.311476 0.688524 0.250000 Li\n0.028802 0.684976 0.173250 P\n0.442536 0.294809 0.132991 P\n0.705191 0.557464 0.367009 P\n0.315024 0.971198 0.326750 P\n0.684977 0.028802 0.673250 P\n0.294809 0.442536 0.632991 P\n0.557464 0.705191 0.867009 P\n0.971198 0.315023 0.826750 P\n0.136293 0.863707 0.750000 W\n0.863707 0.136293 0.250000 W\n0.597977 0.194834 0.221079 O\n0.234801 0.475457 0.216941 O\n0.016760 0.737450 0.006426 O\n0.857028 0.636793 0.312049 O\n0.978384 0.162542 0.788408 O\n0.363207 0.142972 0.187951 O\n0.262550 0.983240 0.493574 O\n0.635031 0.507268 0.547571 O\n0.492732 0.364969 0.952429 O\n0.524543 0.765199 0.283059 O\n0.805166 0.402023 0.278921 O\n0.837458 0.021616 0.711592 O\n0.162542 0.978384 0.288408 O\n0.194834 0.597977 0.721079 O\n0.475457 0.234801 0.716941 O\n0.507268 0.635031 0.047571 O\n0.364969 0.492732 0.452429 O\n0.737450 0.016760 0.506426 O\n0.636793 0.857028 0.812049 O\n0.021616 0.837458 0.211592 O\n0.142972 0.363207 0.687951 O\n0.983240 0.262550 0.993574 O\n0.765199 0.524543 0.783059 O\n0.402023 0.805166 0.778921 O\n",
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{
"id": "mp-22277",
"created_at": "2022-09-04T14:47:12.994205Z",
"structure_string": "Eu2 Cu2 As2\n1.0\n2.109054 -3.652988 0.000000\n2.109054 3.652988 0.000000\n0.000000 0.000000 8.277531\nEu Cu As\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Eu\n0.000000 0.000000 0.000000 Eu\n0.666667 0.333333 0.250000 Cu\n0.333333 0.666667 0.750000 Cu\n0.333333 0.666667 0.250000 As\n0.666667 0.333333 0.750000 As\n",
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{
"id": "mp-1173377",
"created_at": "2022-09-04T14:47:13.025009Z",
"structure_string": "Nd2 Pa2 O8\n1.0\n-2.757509 2.757509 5.447946\n2.757509 -2.757509 5.447946\n2.757509 2.757509 -5.447946\nNd Pa O\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Nd\n0.250000 0.750000 0.500000 Nd\n0.000000 0.000000 0.000000 Pa\n0.750000 0.250000 0.500000 Pa\n0.375000 0.355528 0.480528 O\n0.875000 0.894471 0.519471 O\n0.105529 0.125000 0.480529 O\n0.644472 0.125000 0.019471 O\n0.875000 0.355529 0.980528 O\n0.644472 0.625000 0.519471 O\n0.105529 0.625000 0.980529 O\n0.375000 0.894471 0.019471 O\n",
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{
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{
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{
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{
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{
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"structure_string": "Ba6 Mn6 Al3 F33\n1.0\n3.742886 -6.482868 0.000000\n3.742886 6.482868 0.000000\n0.000000 0.000000 14.498878\nBa Mn Al F\n6 6 3 33\ndirect\n0.866149 0.856650 0.666234 Ba\n0.506751 0.155925 0.799964 Ba\n0.990502 0.133851 0.999568 Ba\n0.844075 0.350826 0.466631 Ba\n0.649174 0.493249 0.133297 Ba\n0.143350 0.009498 0.332901 Ba\n0.962303 0.660129 0.888634 Mn\n0.126274 0.431830 0.725304 Mn\n0.568170 0.694443 0.391971 Mn\n0.697826 0.037697 0.221968 Mn\n0.305557 0.873726 0.058638 Mn\n0.339871 0.302174 0.555301 Mn\n0.501892 0.679977 0.871908 Al\n0.178085 0.498108 0.205241 Al\n0.320023 0.821915 0.538575 Al\n0.994277 0.753852 0.027703 F\n0.827887 0.354647 0.925983 F\n0.759576 0.005723 0.361037 F\n0.425707 0.084075 0.489450 F\n0.871521 0.905038 0.182392 F\n0.237741 0.292703 0.186780 F\n0.915925 0.341632 0.156117 F\n0.707297 0.945038 0.853447 F\n0.033517 0.128479 0.515726 F\n0.612852 0.009122 0.083302 F\n0.658368 0.574293 0.822784 F\n0.246148 0.240424 0.694370 F\n0.611255 0.681585 0.981019 F\n0.367549 0.168734 0.020804 F\n0.070331 0.388745 0.314353 F\n0.645353 0.473240 0.592649 F\n0.331747 0.785177 0.912690 F\n0.396271 0.387148 0.416635 F\n0.307671 0.734703 0.418908 F\n0.318415 0.929669 0.647686 F\n0.427032 0.692329 0.752241 F\n0.831266 0.198814 0.687471 F\n0.801186 0.632451 0.354138 F\n0.453431 0.668253 0.246024 F\n0.990878 0.603729 0.749968 F\n0.094962 0.966483 0.849059 F\n0.526760 0.172113 0.259316 F\n0.273824 0.423390 0.876893 F\n0.149567 0.726176 0.210226 F\n0.265297 0.572968 0.085574 F\n0.054962 0.762259 0.520113 F\n0.214823 0.546569 0.579357 F\n0.576610 0.850433 0.543559 F\n",
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"nelements": 4,
"elements": [
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],
"chemical_system": "Al-Ba-F-Mn",
"density": 4.393087095210922,
"density_atomic": 0.0682186416557747,
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"volume_molar": 8.827705468524567,
"formula_full": "Ba6 Mn6 Al3 F33",
"formula_reduced": "Ba2Mn2AlF11",
"formula_anonymous": "AB2C2D11",
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"updated_at": "2021-11-28T01:37:59.541000Z",
"spacegroup": 145
},
{
"id": "mp-555604",
"created_at": "2022-09-04T14:47:13.024622Z",
"structure_string": "Na12 Dy4 Si24 O60\n1.0\n7.400127 -9.000105 0.000000\n7.400127 9.000105 0.000000\n0.000000 0.000000 10.637567\nNa Dy Si O\n12 4 24 60\ndirect\n0.927805 0.072195 0.750477 Na\n0.761822 0.761822 0.000000 Na\n0.472966 0.027034 0.750000 Na\n0.527034 0.972966 0.250000 Na\n0.427805 0.572195 0.749523 Na\n0.972966 0.527034 0.750000 Na\n0.261822 0.261822 0.500000 Na\n0.027034 0.472966 0.250000 Na\n0.238178 0.238178 0.000000 Na\n0.572195 0.427805 0.250477 Na\n0.072195 0.927805 0.249523 Na\n0.738178 0.738178 0.500000 Na\n0.339938 0.160062 0.250000 Dy\n0.160062 0.339938 0.750000 Dy\n0.839938 0.660062 0.250000 Dy\n0.660062 0.839938 0.750000 Dy\n0.691794 0.527746 0.700313 Si\n0.972254 0.808206 0.799687 Si\n0.471690 0.741774 0.020112 Si\n0.258226 0.528310 0.020112 Si\n0.527746 0.691794 0.299687 Si\n0.416436 0.796516 0.534012 Si\n0.971690 0.241774 0.479888 Si\n0.308206 0.472254 0.299687 Si\n0.203484 0.583564 0.534012 Si\n0.741774 0.471690 0.979888 Si\n0.796516 0.416436 0.465988 Si\n0.528310 0.258226 0.979888 Si\n0.241774 0.971690 0.520112 Si\n0.191794 0.027746 0.799687 Si\n0.703484 0.083564 0.965988 Si\n0.472254 0.308206 0.700313 Si\n0.583564 0.203484 0.465988 Si\n0.083564 0.703484 0.034012 Si\n0.296516 0.916436 0.034012 Si\n0.916436 0.296516 0.965988 Si\n0.808206 0.972254 0.200313 Si\n0.027746 0.191794 0.200313 Si\n0.758226 0.028310 0.479888 Si\n0.028310 0.758226 0.520112 Si\n0.078069 0.250902 0.575808 O\n0.389527 0.610473 0.008180 O\n0.390608 0.838164 0.986388 O\n0.656042 0.652606 0.681530 O\n0.652606 0.656042 0.318470 O\n0.765265 0.515287 0.831474 O\n0.841088 0.489371 0.342282 O\n0.750902 0.578069 0.075808 O\n0.421932 0.249098 0.075808 O\n0.152606 0.156042 0.181530 O\n0.780471 0.500289 0.588101 O\n0.071594 0.928406 0.797640 O\n0.250902 0.078069 0.424192 O\n0.109392 0.661836 0.486388 O\n0.609392 0.161836 0.013612 O\n0.890608 0.338164 0.513612 O\n0.110473 0.889527 0.508180 O\n0.332519 0.667481 0.563329 O\n0.989371 0.341088 0.842282 O\n0.984713 0.734735 0.668526 O\n0.219529 0.499711 0.411899 O\n0.500289 0.780471 0.411899 O\n0.484713 0.234735 0.831474 O\n0.749098 0.921931 0.575808 O\n0.658912 0.010629 0.842282 O\n0.347394 0.343958 0.681530 O\n0.265265 0.015287 0.668526 O\n0.847394 0.843958 0.818470 O\n0.515287 0.765265 0.168526 O\n0.734735 0.984713 0.331474 O\n0.889527 0.110473 0.491820 O\n0.921932 0.749098 0.424192 O\n0.015287 0.265265 0.331474 O\n0.280471 0.000289 0.911899 O\n0.928406 0.071594 0.202360 O\n0.843958 0.847394 0.181530 O\n0.661836 0.109392 0.513612 O\n0.338164 0.890608 0.486388 O\n0.510629 0.158912 0.342282 O\n0.167481 0.832519 0.063329 O\n0.578069 0.750902 0.924192 O\n0.158912 0.510629 0.657718 O\n0.999711 0.719529 0.911899 O\n0.667481 0.332519 0.436671 O\n0.489371 0.841088 0.657718 O\n0.838164 0.390608 0.013612 O\n0.161836 0.609392 0.986388 O\n0.571594 0.428406 0.702360 O\n0.832519 0.167481 0.936671 O\n0.719529 0.999711 0.088101 O\n0.610473 0.389527 0.991820 O\n0.499711 0.219529 0.588101 O\n0.010629 0.658912 0.157718 O\n0.249098 0.421931 0.924192 O\n0.234735 0.484713 0.168526 O\n0.341088 0.989371 0.157718 O\n0.000289 0.280471 0.088101 O\n0.343958 0.347394 0.318470 O\n0.156042 0.152606 0.818470 O\n0.428406 0.571594 0.297640 O\n",
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"elements": [
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"O"
],
"chemical_system": "Dy-Na-O-Si",
"density": 2.999935353491837,
"density_atomic": 0.07057338468086598,
"volume": 1416.9647729409842,
"volume_molar": 8.533161314612046,
"formula_full": "Na12 Dy4 Si24 O60",
"formula_reduced": "Na3Dy(Si2O5)3",
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"updated_at": "2021-11-28T01:37:58.258000Z",
"spacegroup": 64
}
]
}