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{
"id": "mp-1193717",
"created_at": "2022-09-04T14:43:57.893108Z",
"structure_string": "Ti2 Cu2 N2 O8 F14\n1.0\n6.529279 0.000000 0.000000\n0.000000 6.529279 0.000000\n0.000000 0.000000 8.646437\nTi Cu N O F\n2 2 2 8 14\ndirect\n0.000000 0.500000 0.824543 Ti\n0.500000 0.000000 0.175457 Ti\n0.000000 0.500000 0.338967 Cu\n0.500000 0.000000 0.661033 Cu\n0.500000 0.500000 0.000000 N\n0.000000 0.000000 0.000000 N\n0.730120 0.556391 0.322013 O\n0.269880 0.443609 0.322013 O\n0.056391 0.769880 0.322013 O\n0.943609 0.230120 0.322013 O\n0.769880 0.943609 0.677987 O\n0.230120 0.056391 0.677987 O\n0.443609 0.730120 0.677987 O\n0.556391 0.269880 0.677987 O\n0.000000 0.500000 0.606686 F\n0.500000 0.000000 0.393314 F\n0.000000 0.500000 0.038421 F\n0.500000 0.000000 0.961579 F\n0.735682 0.625970 0.824401 F\n0.264318 0.374030 0.824401 F\n0.125970 0.764318 0.824401 F\n0.874030 0.235682 0.824401 F\n0.764318 0.874030 0.175599 F\n0.235682 0.125970 0.175599 F\n0.374030 0.735682 0.175599 F\n0.625970 0.264318 0.175599 F\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.500000 F\n",
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{
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"structure_string": "Cd4 S2 O12\n1.0\n-0.099261 0.000000 6.720947\n-5.092327 3.988949 2.746482\n-5.092327 -3.988949 2.746482\nCd S O\n4 2 12\ndirect\n0.812294 0.339347 0.153285 Cd\n0.687706 0.846715 0.660653 Cd\n0.187706 0.660653 0.846715 Cd\n0.312294 0.153285 0.339347 Cd\n0.750000 0.309501 0.690499 S\n0.250000 0.690499 0.309501 S\n0.592241 0.533156 0.693664 O\n0.907759 0.306336 0.466844 O\n0.407759 0.466844 0.306336 O\n0.092241 0.693664 0.533156 O\n0.889255 0.246548 0.833960 O\n0.610745 0.166040 0.753452 O\n0.110745 0.753452 0.166040 O\n0.389255 0.833960 0.246548 O\n0.684186 0.054944 0.333162 O\n0.815814 0.666838 0.945056 O\n0.315814 0.945056 0.666838 O\n0.184186 0.333162 0.054944 O\n",
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"formula_full": "Cd4 S2 O12",
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{
"id": "mp-1194749",
"created_at": "2022-09-04T14:43:57.880093Z",
"structure_string": "Cs8 Zn4 Ge12 Se32\n1.0\n7.800768 0.000000 0.000000\n0.000000 13.775947 0.000000\n0.000000 0.000000 18.029401\nCs Zn Ge Se\n8 4 12 32\ndirect\n0.751955 0.626660 0.053156 Cs\n0.748045 0.373340 0.553156 Cs\n0.251955 0.873340 0.946844 Cs\n0.248045 0.126660 0.446844 Cs\n0.254330 0.809361 0.347114 Cs\n0.245670 0.190639 0.847114 Cs\n0.754330 0.690639 0.652886 Cs\n0.745670 0.309361 0.152886 Cs\n0.992687 0.497458 0.348228 Zn\n0.507313 0.502542 0.848228 Zn\n0.492687 0.002542 0.651772 Zn\n0.007313 0.997458 0.151772 Zn\n0.764704 0.044802 0.321549 Ge\n0.735296 0.955198 0.821549 Ge\n0.264704 0.455198 0.678451 Ge\n0.235296 0.544802 0.178451 Ge\n0.736808 0.945529 0.482891 Ge\n0.763192 0.054471 0.982891 Ge\n0.236808 0.554471 0.517109 Ge\n0.263192 0.445529 0.017109 Ge\n0.515641 0.980629 0.152547 Ge\n0.984359 0.019371 0.652547 Ge\n0.015641 0.519371 0.847453 Ge\n0.484359 0.480629 0.347453 Ge\n0.990681 0.603802 0.236368 Se\n0.509319 0.396198 0.736368 Se\n0.490681 0.896198 0.763632 Se\n0.009319 0.103802 0.263632 Se\n0.987126 0.606837 0.459100 Se\n0.512874 0.393163 0.959100 Se\n0.487126 0.893163 0.540900 Se\n0.012874 0.106837 0.040900 Se\n0.761012 0.882059 0.154505 Se\n0.738988 0.117941 0.654505 Se\n0.261012 0.617941 0.845495 Se\n0.238988 0.382059 0.345495 Se\n0.764472 0.614333 0.849867 Se\n0.735528 0.385667 0.349867 Se\n0.264472 0.885667 0.150133 Se\n0.235528 0.114333 0.650133 Se\n0.764257 0.876267 0.360340 Se\n0.735743 0.123733 0.860340 Se\n0.264257 0.623733 0.639660 Se\n0.235743 0.376267 0.139660 Se\n0.740113 0.114377 0.444742 Se\n0.759887 0.885623 0.944742 Se\n0.240113 0.385623 0.555258 Se\n0.259887 0.614377 0.055258 Se\n0.496680 0.588057 0.240029 Se\n0.003320 0.411943 0.740029 Se\n0.996680 0.911943 0.759971 Se\n0.503320 0.088057 0.259971 Se\n0.494858 0.594559 0.451426 Se\n0.005142 0.405441 0.951426 Se\n0.994858 0.905441 0.548574 Se\n0.505142 0.094559 0.048574 Se\n",
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"updated_at": "2021-11-28T01:36:07.938000Z",
"spacegroup": 19
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{
"id": "mp-1046980",
"created_at": "2022-09-04T14:43:57.889780Z",
"structure_string": "Ba1 Ca1 Cu4 O8\n1.0\n2.691423 -4.661682 0.000000\n2.691423 4.661682 0.000000\n0.000000 0.000000 7.757767\nBa Ca Cu O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.760658 Cu\n0.666667 0.333333 0.760658 Cu\n0.333333 0.666667 0.239342 Cu\n0.666667 0.333333 0.239342 Cu\n0.330869 0.330869 0.701448 O\n0.669131 0.000000 0.701448 O\n0.000000 0.669131 0.701448 O\n0.669131 0.669131 0.298552 O\n0.000000 0.330869 0.298552 O\n0.330869 0.000000 0.298552 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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{
"id": "mp-1247316",
"created_at": "2022-09-04T14:43:57.902140Z",
"structure_string": "Ta4 Pb8 N12\n1.0\n6.453330 0.161509 0.103786\n-10.043155 5.203630 0.000000\n-0.177552 -0.342679 13.243688\nTa Pb N\n4 8 12\ndirect\n0.511200 0.252846 0.663596 Ta\n0.488800 0.741647 0.836404 Ta\n0.488800 0.747154 0.336404 Ta\n0.511200 0.258353 0.163596 Ta\n0.571018 0.109809 0.886636 Pb\n0.428982 0.538792 0.613364 Pb\n0.428982 0.890191 0.113364 Pb\n0.571018 0.461208 0.386636 Pb\n0.569330 0.914770 0.580883 Pb\n0.430670 0.345440 0.919117 Pb\n0.430670 0.085230 0.419117 Pb\n0.569330 0.654560 0.080883 Pb\n0.000000 0.538337 0.750000 N\n0.000000 0.461663 0.250000 N\n0.644950 0.168115 0.597197 N\n0.355050 0.523165 0.902803 N\n0.355050 0.831885 0.402803 N\n0.644950 0.476835 0.097197 N\n0.393605 0.081793 0.057151 N\n0.606395 0.688188 0.442849 N\n0.606395 0.918207 0.942849 N\n0.393605 0.311812 0.557151 N\n0.000000 0.992029 0.750000 N\n0.000000 0.007971 0.250000 N\n",
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{
"id": "mp-1203016",
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"structure_string": "Ba18 Al18 As30\n1.0\n10.982290 -7.584719 0.000000\n10.982290 7.584719 0.000000\n5.744042 0.000000 12.047599\nBa Al As\n18 18 30\ndirect\n0.144670 0.224683 0.648943 Ba\n0.648943 0.144670 0.224683 Ba\n0.224683 0.648943 0.144670 Ba\n0.148943 0.724683 0.644670 Ba\n0.644670 0.148943 0.724683 Ba\n0.724683 0.644670 0.148943 Ba\n0.855330 0.775317 0.351057 Ba\n0.351057 0.855330 0.775317 Ba\n0.775317 0.351057 0.855330 Ba\n0.851057 0.275317 0.355330 Ba\n0.355330 0.851057 0.275317 Ba\n0.275317 0.355330 0.851057 Ba\n0.397259 0.397259 0.397259 Ba\n0.897259 0.897259 0.897259 Ba\n0.602741 0.602741 0.602741 Ba\n0.102741 0.102741 0.102741 Ba\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.080157 0.572285 0.494222 Al\n0.494222 0.080157 0.572285 Al\n0.572285 0.494222 0.080157 Al\n0.994222 0.072285 0.580157 Al\n0.580157 0.994222 0.072285 Al\n0.072285 0.580157 0.994222 Al\n0.919843 0.427715 0.505778 Al\n0.505778 0.919843 0.427715 Al\n0.427715 0.505778 0.919843 Al\n0.005778 0.927715 0.419843 Al\n0.419843 0.005778 0.927715 Al\n0.927715 0.419843 0.005778 Al\n0.978599 0.521401 0.250000 Al\n0.250000 0.978599 0.521401 Al\n0.521401 0.250000 0.978599 Al\n0.750000 0.021401 0.478599 Al\n0.478599 0.750000 0.021401 Al\n0.021401 0.478599 0.750000 Al\n0.112599 0.447796 0.374914 As\n0.374914 0.112599 0.447796 As\n0.447796 0.374914 0.112599 As\n0.874914 0.947796 0.612599 As\n0.612599 0.874914 0.947796 As\n0.947796 0.612599 0.874914 As\n0.887401 0.552204 0.625086 As\n0.625086 0.887401 0.552204 As\n0.552204 0.625086 0.887401 As\n0.125086 0.052204 0.387401 As\n0.387401 0.125086 0.052204 As\n0.052204 0.387401 0.125086 As\n0.208212 0.469925 0.615289 As\n0.615289 0.208212 0.469925 As\n0.469925 0.615289 0.208212 As\n0.115289 0.969925 0.708212 As\n0.708212 0.115289 0.969925 As\n0.969925 0.708212 0.115289 As\n0.791788 0.530075 0.384711 As\n0.384711 0.791788 0.530075 As\n0.530075 0.384711 0.791788 As\n0.884711 0.030075 0.291788 As\n0.291788 0.884711 0.030075 As\n0.030075 0.291788 0.884711 As\n0.618965 0.881035 0.250000 As\n0.250000 0.618965 0.881035 As\n0.881035 0.250000 0.618965 As\n0.750000 0.381035 0.118965 As\n0.118965 0.750000 0.381035 As\n0.381035 0.118965 0.750000 As\n",
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{
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"structure_string": "Na1 Co2 H3 S2 O10\n1.0\n3.059114 5.534758 0.000000\n-3.059114 5.534758 0.000000\n0.000000 3.340799 6.705358\nNa Co H S O\n1 2 3 2 10\ndirect\n0.497164 0.497164 0.516665 Na\n0.007724 0.492319 0.010973 Co\n0.492319 0.007724 0.010973 Co\n0.097861 0.097861 0.321781 H\n0.531925 0.531925 0.952446 H\n0.885968 0.885968 0.705654 H\n0.957356 0.957356 0.259053 S\n0.037521 0.037521 0.742700 S\n0.634530 0.634530 0.879195 O\n0.319151 0.319151 0.305037 O\n0.759933 0.759933 0.121156 O\n0.750889 0.115554 0.731223 O\n0.871750 0.236468 0.286375 O\n0.115554 0.750889 0.731223 O\n0.236468 0.871750 0.286375 O\n0.227209 0.227209 0.889971 O\n0.668473 0.668473 0.672801 O\n0.354205 0.354205 0.106399 O\n",
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{
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{
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