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{
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{
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"volume": 616.9287033149518,
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"formula_full": "Yb8 Cu16 As12",
"formula_reduced": "Yb2Cu4As3",
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"spacegroup": 189
},
{
"id": "mp-1078492",
"created_at": "2022-09-04T14:40:14.394845Z",
"structure_string": "Cr6 P2 C2\n1.0\n1.486721 -4.900457 0.000000\n1.486721 4.900457 0.000000\n0.000000 0.000000 7.258164\nCr P C\n6 2 2\ndirect\n0.629542 0.370458 0.444475 Cr\n0.370458 0.629542 0.555525 Cr\n0.629542 0.370458 0.055525 Cr\n0.370458 0.629542 0.944475 Cr\n0.940076 0.059924 0.250000 Cr\n0.059924 0.940076 0.750000 Cr\n0.256635 0.743365 0.250000 P\n0.743365 0.256635 0.750000 P\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
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"elements": [
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},
{
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"structure_string": "Hf1 Ti1 C1 N1\n1.0\n5.212620 -1.577790 0.000000\n5.212620 1.577790 0.000000\n4.735044 0.000000 2.690759\nHf Ti C N\n1 1 1 1\ndirect\n0.000286 0.000286 0.000286 Hf\n0.498373 0.498373 0.498373 Ti\n0.754035 0.754035 0.754035 C\n0.247305 0.247305 0.247305 N\n",
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"spacegroup": 160
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{
"id": "mp-1199126",
"created_at": "2022-09-04T14:40:14.346152Z",
"structure_string": "Ca6 Mn2 S4 O34\n1.0\n-4.304397 -7.455434 0.000000\n-4.321257 7.465168 0.000000\n0.000000 0.000000 -10.648478\nCa Mn S O\n6 2 4 34\ndirect\n0.308386 0.150575 0.250000 Ca\n0.841272 0.691280 0.250000 Ca\n0.850865 0.159378 0.250000 Ca\n0.157810 0.849425 0.750000 Ca\n0.149992 0.308720 0.750000 Ca\n0.691487 0.840622 0.750000 Ca\n0.000318 0.000000 0.000000 Mn\n0.000318 0.000000 0.500000 Mn\n0.666790 0.333391 0.022802 S\n0.666790 0.333391 0.477198 S\n0.333400 0.666609 0.522802 S\n0.333400 0.666609 0.977198 S\n0.666706 0.333404 0.883912 O\n0.666706 0.333404 0.616088 O\n0.333302 0.666596 0.383912 O\n0.333302 0.666596 0.116088 O\n0.500796 0.985011 0.250000 O\n0.484435 0.499355 0.250000 O\n0.014985 0.515856 0.250000 O\n0.515786 0.014989 0.750000 O\n0.985080 0.500645 0.750000 O\n0.499129 0.484144 0.750000 O\n0.092609 0.184220 0.116164 O\n0.090580 0.907465 0.114930 O\n0.816739 0.908602 0.114943 O\n0.092609 0.184220 0.383836 O\n0.090580 0.907465 0.385070 O\n0.816739 0.908602 0.385057 O\n0.908389 0.815780 0.616164 O\n0.183114 0.092535 0.614930 O\n0.908137 0.091398 0.614943 O\n0.908389 0.815780 0.883836 O\n0.183114 0.092535 0.885070 O\n0.908137 0.091398 0.885057 O\n0.479822 0.256284 0.071188 O\n0.776249 0.519932 0.071299 O\n0.743841 0.223683 0.071176 O\n0.479822 0.256284 0.428812 O\n0.776249 0.519932 0.428701 O\n0.743841 0.223683 0.428824 O\n0.223538 0.743716 0.571188 O\n0.256317 0.480068 0.571299 O\n0.520158 0.776317 0.571176 O\n0.223538 0.743716 0.928812 O\n0.256317 0.480068 0.928701 O\n0.520158 0.776317 0.928824 O\n",
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"elements": [
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"density": 2.4780644147515805,
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"volume": 685.2284210227875,
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"formula_full": "Ca6 Mn2 S4 O34",
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"spacegroup": 190
},
{
"id": "mp-1173546",
"created_at": "2022-09-04T14:40:14.346664Z",
"structure_string": "Nb8 Pb6 O26\n1.0\n7.574289 0.000000 0.000000\n0.000000 7.594117 0.000000\n0.000000 0.000000 10.733179\nNb Pb O\n8 6 26\ndirect\n0.751498 0.750000 0.253950 Nb\n0.000000 0.000000 0.000000 Nb\n0.248502 0.250000 0.746050 Nb\n0.500000 0.000000 0.500000 Nb\n0.500000 0.500000 0.500000 Nb\n0.751498 0.250000 0.746050 Nb\n0.000000 0.500000 0.000000 Nb\n0.248502 0.750000 0.253950 Nb\n0.751726 0.750000 0.739455 Pb\n0.248274 0.750000 0.739455 Pb\n0.248274 0.250000 0.260545 Pb\n0.500000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 Pb\n0.751726 0.250000 0.260545 Pb\n0.316183 0.939742 0.372471 O\n0.500000 0.750000 0.180329 O\n0.500000 0.250000 0.152245 O\n0.500000 0.750000 0.564960 O\n0.683817 0.939742 0.372471 O\n0.809093 0.442654 0.875021 O\n0.809093 0.942654 0.124979 O\n0.809093 0.057346 0.875021 O\n0.000000 0.250000 0.697265 O\n0.000000 0.750000 0.936381 O\n0.000000 0.750000 0.302735 O\n0.000000 0.250000 0.063619 O\n0.190907 0.942654 0.124979 O\n0.190907 0.442654 0.875021 O\n0.190907 0.057346 0.875021 O\n0.316183 0.439742 0.627529 O\n0.316183 0.560258 0.372471 O\n0.316183 0.060258 0.627529 O\n0.500000 0.250000 0.435040 O\n0.500000 0.250000 0.819671 O\n0.500000 0.750000 0.847755 O\n0.683817 0.060258 0.627529 O\n0.683817 0.439742 0.627529 O\n0.683817 0.560258 0.372471 O\n0.809093 0.557346 0.124979 O\n0.190907 0.557346 0.124979 O\n",
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{
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"created_at": "2022-09-04T14:40:14.347379Z",
"structure_string": "Cs2 Na1 Tm1 Cl6\n1.0\n0.000000 5.424802 5.424802\n5.424802 0.000000 5.424802\n5.424802 5.424802 0.000000\nCs Na Tm Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tm\n0.759555 0.240445 0.240445 Cl\n0.240445 0.240445 0.759555 Cl\n0.240445 0.759555 0.759555 Cl\n0.240445 0.759555 0.240445 Cl\n0.759555 0.240445 0.759555 Cl\n0.759555 0.759555 0.240445 Cl\n",
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{
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"structure_string": "Mo2 Rh1\n1.0\n0.000000 1.973752 6.208803\n1.875332 0.000000 6.208803\n1.875332 1.973752 0.000000\nMo Rh\n2 1\ndirect\n0.340579 0.340579 0.659421 Mo\n0.659421 0.659421 0.340579 Mo\n0.000000 0.000000 0.000000 Rh\n",
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{
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"structure_string": "Na2 Co1 H4 Se2 O10\n1.0\n6.087176 0.000000 0.000000\n-1.964763 6.531956 0.000000\n-0.722331 -1.350983 6.659791\nNa Co H Se O\n2 1 4 2 10\ndirect\n0.602912 0.199652 0.757414 Na\n0.397088 0.800348 0.242586 Na\n0.000000 0.000000 0.000000 Co\n0.902849 0.159203 0.473724 H\n0.097151 0.840797 0.526276 H\n0.917037 0.652164 0.381863 H\n0.082963 0.347836 0.618137 H\n0.529236 0.325680 0.266436 Se\n0.470764 0.674320 0.733564 Se\n0.313414 0.268222 0.067694 O\n0.686586 0.731778 0.932306 O\n0.823095 0.185157 0.051280 O\n0.176905 0.814843 0.948720 O\n0.409817 0.222393 0.451887 O\n0.590183 0.777607 0.548113 O\n0.057443 0.766257 0.385683 O\n0.942557 0.233743 0.614317 O\n0.681204 0.121145 0.206753 O\n0.318796 0.878855 0.793247 O\n",
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{
"id": "mp-760932",
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"structure_string": "Li4 Ti3 Fe3 Cu2 O16\n1.0\n5.937354 0.023466 -0.043623\n-2.947902 5.111472 0.000716\n-0.069941 -0.038349 9.614136\nLi Ti Fe Cu O\n4 3 3 2 16\ndirect\n0.335065 0.665924 0.896016 Li\n0.993478 0.998056 0.994941 Li\n0.997590 0.998224 0.495739 Li\n0.665402 0.332529 0.397031 Li\n0.168414 0.829321 0.211432 Ti\n0.173117 0.338236 0.213137 Ti\n0.342083 0.173519 0.713585 Ti\n0.663004 0.833130 0.212252 Fe\n0.833129 0.662955 0.711462 Fe\n0.830558 0.168455 0.711888 Fe\n0.334321 0.669398 0.486696 Cu\n0.674493 0.335729 0.985472 Cu\n0.171271 0.839663 0.602831 O\n0.037299 0.519938 0.334515 O\n0.321618 0.660109 0.102269 O\n0.005008 0.002777 0.310285 O\n0.005451 0.001099 0.808899 O\n0.169864 0.332184 0.603211 O\n0.472876 0.958358 0.339755 O\n0.473151 0.515742 0.340110 O\n0.326835 0.163009 0.106321 O\n0.671984 0.836437 0.601737 O\n0.516441 0.474049 0.841456 O\n0.518489 0.040771 0.840337 O\n0.657695 0.330383 0.601908 O\n0.840759 0.672312 0.102614 O\n0.960145 0.479238 0.838493 O\n0.840462 0.168757 0.103446 O\n",
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{
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}