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{
"id": "mp-581150",
"created_at": "2022-09-04T14:41:17.203437Z",
"structure_string": "Cs4 Te20 Mo18\n1.0\n13.574057 -5.226099 0.000000\n13.574057 5.226099 0.000000\n11.561975 0.000000 8.825410\nCs Te Mo\n4 20 18\ndirect\n0.301099 0.301099 0.301099 Cs\n0.698901 0.698901 0.698901 Cs\n0.424175 0.424175 0.424175 Cs\n0.575825 0.575825 0.575825 Cs\n0.202969 0.202969 0.202969 Te\n0.178348 0.814511 0.437267 Te\n0.054799 0.413330 0.796999 Te\n0.931785 0.302300 0.679901 Te\n0.413330 0.796999 0.054799 Te\n0.821652 0.185489 0.562733 Te\n0.068215 0.697700 0.320099 Te\n0.437267 0.178348 0.814511 Te\n0.814511 0.437267 0.178348 Te\n0.302300 0.679901 0.931785 Te\n0.945201 0.586670 0.203001 Te\n0.320099 0.068215 0.697700 Te\n0.586670 0.203001 0.945201 Te\n0.679901 0.931785 0.302300 Te\n0.796999 0.054799 0.413330 Te\n0.797031 0.797031 0.797031 Te\n0.562733 0.821652 0.185489 Te\n0.203001 0.945201 0.586670 Te\n0.185489 0.562733 0.821652 Te\n0.697700 0.320099 0.068215 Te\n0.771295 0.897766 0.068435 Mo\n0.128033 0.300664 0.009055 Mo\n0.184824 0.892189 0.011977 Mo\n0.102234 0.931565 0.228705 Mo\n0.815176 0.107811 0.988023 Mo\n0.009055 0.128033 0.300664 Mo\n0.892189 0.011977 0.184824 Mo\n0.699336 0.990945 0.871967 Mo\n0.897766 0.068435 0.771295 Mo\n0.990945 0.871967 0.699336 Mo\n0.988023 0.815176 0.107811 Mo\n0.011977 0.184824 0.892189 Mo\n0.107811 0.988023 0.815176 Mo\n0.228705 0.102234 0.931565 Mo\n0.871967 0.699336 0.990945 Mo\n0.931565 0.228705 0.102234 Mo\n0.300664 0.009055 0.128033 Mo\n0.068435 0.771295 0.897766 Mo\n",
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{
"id": "mp-1219187",
"created_at": "2022-09-04T14:41:16.572600Z",
"structure_string": "Sm2 Fe3 Ru1\n1.0\n4.645373 -2.618808 0.000000\n4.645373 2.618808 0.000000\n3.169032 0.000000 4.288926\nSm Fe Ru\n2 3 1\ndirect\n0.124996 0.124996 0.124996 Sm\n0.875004 0.875004 0.875004 Sm\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 6,
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"density": 9.059548476448487,
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"volume": 104.3524858385276,
"volume_molar": 10.47375597292533,
"formula_full": "Sm2 Fe3 Ru1",
"formula_reduced": "Sm2Fe3Ru",
"formula_anonymous": "AB2C3",
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"spacegroup": 166
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{
"id": "mp-1025063",
"created_at": "2022-09-04T14:41:17.224122Z",
"structure_string": "Li2 Al2 Pt2\n1.0\n2.078897 -3.600756 0.000000\n2.078897 3.600756 0.000000\n0.000000 0.000000 5.427316\nLi Al Pt\n2 2 2\ndirect\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.333333 0.666667 0.250000 Al\n0.666667 0.333333 0.750000 Al\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n",
"nsites": 6,
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"volume": 81.25344248365148,
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"formula_full": "Li2 Al2 Pt2",
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{
"id": "mp-1645141",
"created_at": "2022-09-04T14:41:17.222429Z",
"structure_string": "Sr12 Ti6 Fe2 O28\n1.0\n3.933349 0.000035 0.000004\n-0.000016 -3.942472 20.416198\n-0.000070 -7.883710 0.000237\nSr Ti Fe O\n12 6 2 28\ndirect\n0.499990 0.185258 0.157362 Sr\n0.500002 0.185487 0.657258 Sr\n0.000009 0.683556 0.159166 Sr\n0.999997 0.683558 0.657284 Sr\n0.999999 0.318143 0.341256 Sr\n0.000013 0.318134 0.840582 Sr\n0.499999 0.815649 0.842175 Sr\n0.500007 0.815519 0.342236 Sr\n0.500002 0.000270 0.249856 Sr\n0.500005 0.000283 0.749850 Sr\n0.000001 0.497017 0.250844 Sr\n0.999998 0.497012 0.752177 Sr\n0.000001 0.902203 0.048878 Ti\n0.999998 0.902202 0.548926 Ti\n0.999999 0.098511 0.450671 Ti\n0.999997 0.098508 0.950792 Ti\n0.500000 0.597428 0.951310 Ti\n0.500000 0.596723 0.451667 Ti\n0.500011 0.402623 0.048706 Fe\n0.499987 0.402421 0.548781 Fe\n0.500001 0.307026 0.096456 O\n0.500005 0.306253 0.596852 O\n0.000001 0.805584 0.096932 O\n0.999997 0.805584 0.597389 O\n0.999997 0.194512 0.402110 O\n0.999998 0.194513 0.903459 O\n0.500002 0.693020 0.903502 O\n0.499997 0.693381 0.403331 O\n0.999999 0.000024 0.000003 O\n0.999994 0.000023 0.499984 O\n0.500004 0.498721 0.000600 O\n0.500008 0.499385 0.500319 O\n0.000000 0.403901 0.048012 O\n0.999997 0.404106 0.547904 O\n0.499941 0.404272 0.290919 O\n0.500053 0.404308 0.804762 O\n0.500002 0.903417 0.048150 O\n0.500001 0.903416 0.548308 O\n0.000005 0.903445 0.798226 O\n0.000003 0.903426 0.298236 O\n0.499998 0.096757 0.451468 O\n0.499999 0.096756 0.951892 O\n0.999999 0.096727 0.201688 O\n0.000001 0.096791 0.701654 O\n0.999999 0.595887 0.952096 O\n0.999998 0.596264 0.451907 O\n0.499995 0.595999 0.201791 O\n0.499993 0.595996 0.702277 O\n",
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],
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"density_atomic": 0.07581860102238554,
"volume": 633.0900247793802,
"volume_molar": 7.942827589527741,
"formula_full": "Sr12 Ti6 Fe2 O28",
"formula_reduced": "Sr6Ti3FeO14",
"formula_anonymous": "AB3C6D14",
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{
"id": "mp-676636",
"created_at": "2022-09-04T14:41:16.427830Z",
"structure_string": "Ce9 Sm1 O20\n1.0\n6.692136 0.000000 0.000000\n-2.203146 7.414075 0.000000\n-1.144177 -2.346923 8.260162\nCe Sm O\n9 1 20\ndirect\n0.800415 0.600929 0.601107 Ce\n0.599663 0.199144 0.199148 Ce\n0.000000 0.500000 0.000000 Ce\n0.800237 0.099918 0.601074 Ce\n0.400337 0.800856 0.800852 Ce\n0.199585 0.399071 0.398893 Ce\n0.601523 0.700854 0.199522 Ce\n0.398477 0.299146 0.800478 Ce\n0.199763 0.900082 0.398926 Ce\n0.000000 0.000000 0.000000 Sm\n0.850144 0.324869 0.450920 O\n0.642950 0.922883 0.051527 O\n0.948917 0.770304 0.153429 O\n0.449428 0.524071 0.649953 O\n0.850636 0.825693 0.450252 O\n0.648842 0.425308 0.049359 O\n0.748307 0.374408 0.749938 O\n0.255152 0.127664 0.255316 O\n0.949203 0.280990 0.153445 O\n0.449283 0.025451 0.649315 O\n0.550717 0.974549 0.350685 O\n0.050797 0.719010 0.846555 O\n0.744848 0.872336 0.744684 O\n0.351158 0.574692 0.950641 O\n0.251693 0.625592 0.250062 O\n0.550572 0.475929 0.350047 O\n0.149364 0.174307 0.549748 O\n0.051083 0.229696 0.846571 O\n0.357050 0.077117 0.948473 O\n0.149856 0.675131 0.549080 O\n",
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"volume": 409.83618304100264,
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"formula_full": "Ce9 Sm1 O20",
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{
"id": "mp-770881",
"created_at": "2022-09-04T14:41:16.383066Z",
"structure_string": "Mn8 Be4 O16\n1.0\n4.634435 0.000000 0.000000\n0.000000 5.958777 0.000000\n0.000000 0.000000 10.123002\nMn Be O\n8 4 16\ndirect\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.985292 0.750000 0.725120 Mn\n0.485292 0.250000 0.774880 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.514708 0.750000 0.225120 Mn\n0.014708 0.250000 0.274880 Mn\n0.922813 0.250000 0.587775 Be\n0.422813 0.750000 0.912225 Be\n0.577187 0.250000 0.087775 Be\n0.077187 0.750000 0.412225 Be\n0.245376 0.750000 0.562737 O\n0.267981 0.250000 0.586584 O\n0.757329 0.028118 0.653668 O\n0.757329 0.471882 0.653668 O\n0.257329 0.528118 0.846332 O\n0.257329 0.971882 0.846332 O\n0.767981 0.750000 0.913416 O\n0.745376 0.250000 0.937263 O\n0.254624 0.750000 0.062737 O\n0.232019 0.250000 0.086584 O\n0.742671 0.028118 0.153668 O\n0.742671 0.471882 0.153668 O\n0.242671 0.528118 0.346332 O\n0.242671 0.971882 0.346332 O\n0.732019 0.750000 0.413416 O\n0.754624 0.250000 0.437263 O\n",
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{
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"structure_string": "Zn4 Re4 N8\n1.0\n5.672952 0.000000 0.000000\n0.000000 6.421871 0.000000\n0.000000 0.000000 5.536345\nZn Re N\n4 4 8\ndirect\n0.582438 0.887345 0.011698 Zn\n0.417562 0.112655 0.511698 Zn\n0.917562 0.387345 0.511698 Zn\n0.082438 0.612655 0.011698 Zn\n0.553830 0.377310 0.002965 Re\n0.446170 0.622690 0.502965 Re\n0.946170 0.877310 0.502965 Re\n0.053830 0.122690 0.002965 Re\n0.578551 0.370682 0.352025 N\n0.421449 0.629318 0.852025 N\n0.921449 0.870682 0.852025 N\n0.078551 0.129318 0.352025 N\n0.619725 0.865709 0.383313 N\n0.380275 0.134291 0.883313 N\n0.880275 0.365709 0.883313 N\n0.119725 0.634291 0.383313 N\n",
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{
"id": "mp-1184387",
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{
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},
{
"id": "mp-1217208",
"created_at": "2022-09-04T14:41:17.228477Z",
"structure_string": "U4 P4 Br4 O24\n1.0\n-6.661528 6.661528 3.527232\n6.661528 -6.661528 3.527232\n6.661528 6.661528 -3.527232\nU P Br O\n4 4 4 24\ndirect\n0.630976 0.837252 0.471257 U\n0.365994 0.159719 0.528743 U\n0.840281 0.369024 0.206276 U\n0.162748 0.634006 0.793724 U\n0.362759 0.800737 0.163341 P\n0.637396 0.199418 0.836659 P\n0.800582 0.637241 0.437978 P\n0.199263 0.362604 0.562022 P\n0.248491 0.319594 0.097143 Br\n0.222451 0.151348 0.902857 Br\n0.680406 0.777549 0.928897 Br\n0.848652 0.751509 0.071103 Br\n0.317559 0.505790 0.469551 O\n0.036238 0.848007 0.530449 O\n0.514867 0.038928 0.189277 O\n0.849651 0.325590 0.810723 O\n0.674410 0.485133 0.524061 O\n0.961072 0.150349 0.475939 O\n0.494210 0.963762 0.811769 O\n0.151993 0.682441 0.188231 O\n0.474833 0.777657 0.262490 O\n0.515167 0.212343 0.737510 O\n0.787657 0.525167 0.302824 O\n0.222343 0.484833 0.697176 O\n0.752905 0.875398 0.649324 O\n0.226075 0.103581 0.350676 O\n0.896419 0.247095 0.122494 O\n0.124602 0.773925 0.877506 O\n0.693382 0.685023 0.376856 O\n0.308167 0.316526 0.623144 O\n0.683474 0.306618 0.991641 O\n0.314977 0.691833 0.008359 O\n0.571087 0.968560 0.541386 O\n0.427174 0.029702 0.458614 O\n0.970298 0.428913 0.397473 O\n0.031440 0.572826 0.602527 O\n",
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{
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"structure_string": "Tm8 Fe2\n1.0\n0.000000 5.187363 5.187363\n5.187363 0.000000 5.187363\n5.187363 5.187363 0.000000\nTm Fe\n8 2\ndirect\n0.384951 0.384951 0.384951 Tm\n0.384951 0.384951 0.845148 Tm\n0.384951 0.845148 0.384951 Tm\n0.865049 0.865049 0.404852 Tm\n0.865049 0.865049 0.865049 Tm\n0.845148 0.384951 0.384951 Tm\n0.865049 0.404852 0.865049 Tm\n0.404852 0.865049 0.865049 Tm\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Fe\n",
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"formula_full": "Tm8 Fe2",
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{
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"structure_string": "Mn1 Sn1 Ir1\n1.0\n0.000000 3.069546 3.069546\n3.069546 0.000000 3.069546\n3.069546 3.069546 0.000000\nMn Sn Ir\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Sn\n0.500000 0.500000 0.500000 Ir\n",
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]
}