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{
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{
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"structure_string": "Ca4 Mg4 Si8 O24\n1.0\n8.358698 0.000000 0.000000\n0.000000 5.406134 0.000000\n0.000000 0.117159 9.888922\nCa Mg Si O\n4 4 8 24\ndirect\n0.447611 0.397672 0.270351 Ca\n0.947611 0.102328 0.729649 Ca\n0.552389 0.602328 0.729649 Ca\n0.052389 0.897672 0.270351 Ca\n0.333965 0.122763 0.768022 Mg\n0.833965 0.377237 0.231978 Mg\n0.666035 0.877237 0.231978 Mg\n0.166035 0.622763 0.768022 Mg\n0.329592 0.966139 0.503176 Si\n0.829592 0.533861 0.496824 Si\n0.670408 0.033861 0.496824 Si\n0.170408 0.466139 0.503176 Si\n0.653206 0.228898 0.962453 Si\n0.153206 0.271102 0.037547 Si\n0.346794 0.771102 0.037547 Si\n0.846794 0.728898 0.962453 Si\n0.493290 0.284238 0.879793 O\n0.993290 0.215762 0.120207 O\n0.506710 0.715762 0.120207 O\n0.006710 0.784238 0.879793 O\n0.229442 0.205987 0.417176 O\n0.729442 0.294013 0.582824 O\n0.770558 0.794013 0.582824 O\n0.270558 0.705987 0.417176 O\n0.009442 0.473493 0.613543 O\n0.509442 0.026507 0.386457 O\n0.990558 0.526507 0.386457 O\n0.490558 0.973493 0.613543 O\n0.308028 0.442834 0.632580 O\n0.808028 0.057166 0.367420 O\n0.691972 0.557166 0.367420 O\n0.191972 0.942834 0.632580 O\n0.147348 0.283619 0.873919 O\n0.647348 0.216381 0.126081 O\n0.852652 0.716381 0.126081 O\n0.352652 0.783619 0.873919 O\n0.770744 0.462092 0.903665 O\n0.270744 0.037908 0.096335 O\n0.229256 0.537908 0.096335 O\n0.729256 0.962092 0.903665 O\n",
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"formula_full": "Ca4 Mg4 Si8 O24",
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{
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{
"id": "mp-1206603",
"created_at": "2022-09-04T14:40:32.347137Z",
"structure_string": "Rb1 Cr1 Se2\n1.0\n-1.945098 -3.369008 0.000000\n1.945098 -3.369008 0.000000\n0.000000 -2.246006 7.781015\nRb Cr Se\n1 1 2\ndirect\n0.834514 0.834514 0.496459 Rb\n0.001958 0.001958 0.994125 Cr\n0.612337 0.612337 0.162988 Se\n0.391190 0.391190 0.826428 Se\n",
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"spacegroup": 160
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{
"id": "mp-1247013",
"created_at": "2022-09-04T14:40:23.164855Z",
"structure_string": "Zr4 Cr4 Ag4 S16\n1.0\n11.373828 0.000000 0.000000\n0.000000 3.618620 0.000000\n0.000000 0.000000 13.213965\nZr Cr Ag S\n4 4 4 16\ndirect\n0.952414 0.750000 0.884083 Zr\n0.547586 0.250000 0.384083 Zr\n0.928190 0.750000 0.410958 Zr\n0.571810 0.250000 0.910958 Zr\n0.063429 0.250000 0.110993 Cr\n0.436571 0.750000 0.610993 Cr\n0.094947 0.250000 0.594687 Cr\n0.405053 0.750000 0.094687 Cr\n0.246192 0.250000 0.315357 Ag\n0.749900 0.750000 0.662845 Ag\n0.253808 0.750000 0.815357 Ag\n0.750100 0.250000 0.162845 Ag\n0.048384 0.750000 0.709055 S\n0.983798 0.250000 0.284882 S\n0.451616 0.250000 0.209055 S\n0.516202 0.750000 0.784882 S\n0.099964 0.250000 0.933544 S\n0.920070 0.750000 0.077009 S\n0.400036 0.750000 0.433544 S\n0.579930 0.250000 0.577009 S\n0.133832 0.750000 0.479776 S\n0.885478 0.250000 0.544391 S\n0.366168 0.250000 0.979776 S\n0.614522 0.750000 0.044391 S\n0.199899 0.750000 0.152519 S\n0.795278 0.250000 0.839900 S\n0.300101 0.250000 0.652519 S\n0.704722 0.750000 0.339900 S\n",
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"formula_full": "Zr4 Cr4 Ag4 S16",
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"spacegroup": 31
},
{
"id": "mp-1046153",
"created_at": "2022-09-04T14:40:32.479780Z",
"structure_string": "Sr2 Mg2 Cu2 P4 O16\n1.0\n5.538734 -0.070836 -1.126330\n-1.513897 6.166587 -2.295054\n-0.118079 0.084218 9.228650\nSr Mg Cu P O\n2 2 2 4 16\ndirect\n0.260341 0.804065 0.059677 Sr\n0.739659 0.195935 0.940323 Sr\n0.989554 0.402047 0.648014 Mg\n0.010446 0.597953 0.351986 Mg\n0.643363 0.849938 0.546829 Cu\n0.356637 0.150062 0.453171 Cu\n0.396379 0.427601 0.242421 P\n0.603621 0.572399 0.757579 P\n0.841766 0.027419 0.301121 P\n0.158234 0.972581 0.698879 P\n0.827123 0.553926 0.880201 O\n0.651175 0.477824 0.208704 O\n0.657331 0.800691 0.750367 O\n0.947868 0.101473 0.680536 O\n0.348825 0.522176 0.791296 O\n0.037064 0.730477 0.588342 O\n0.962936 0.269523 0.411658 O\n0.260176 0.006715 0.874584 O\n0.342669 0.199309 0.249633 O\n0.739824 0.993285 0.125416 O\n0.172877 0.446074 0.119799 O\n0.381604 0.594468 0.404224 O\n0.618396 0.405532 0.595776 O\n0.623086 0.929336 0.355652 O\n0.052132 0.898527 0.319464 O\n0.376914 0.070664 0.644348 O\n",
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{
"id": "mp-1226092",
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"structure_string": "Cr2 Ni3 B6\n1.0\n1.479302 -10.064490 0.000000\n1.479302 10.064490 0.000000\n0.000000 0.000000 2.942057\nCr Ni B\n2 3 6\ndirect\n0.000526 0.999474 0.000000 Cr\n0.384113 0.615887 0.000000 Cr\n0.618092 0.381908 0.000000 Ni\n0.194571 0.805429 0.500000 Ni\n0.801836 0.198164 0.500000 Ni\n0.457909 0.542091 0.500000 B\n0.543715 0.456285 0.500000 B\n0.275315 0.724685 0.000000 B\n0.724690 0.275310 0.000000 B\n0.089099 0.910901 0.500000 B\n0.910134 0.089866 0.500000 B\n",
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{
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"structure_string": "Ce4 Ni10 C6\n1.0\n8.332119 0.000000 0.000000\n0.000000 8.332119 0.000000\n0.000000 0.000000 3.882252\nCe Ni C\n4 10 6\ndirect\n0.341077 0.841077 0.000000 Ce\n0.658923 0.158923 0.000000 Ce\n0.158923 0.341077 0.000000 Ce\n0.841077 0.658923 0.000000 Ce\n0.576695 0.712503 0.500000 Ni\n0.423305 0.287497 0.500000 Ni\n0.923305 0.212503 0.500000 Ni\n0.076695 0.787497 0.500000 Ni\n0.712503 0.423305 0.500000 Ni\n0.287497 0.576695 0.500000 Ni\n0.212503 0.076695 0.500000 Ni\n0.787497 0.923305 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 C\n0.000000 0.000000 0.500000 C\n0.058085 0.558085 0.500000 C\n0.941915 0.441915 0.500000 C\n0.441915 0.058085 0.500000 C\n0.558085 0.941915 0.500000 C\n",
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{
"id": "mp-555778",
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"structure_string": "Fe24 Pb2 O38\n1.0\n3.003975 -5.203038 0.000000\n3.003975 5.203038 0.000000\n0.000000 0.000000 23.355158\nFe Pb O\n24 2 38\ndirect\n0.336212 0.168106 0.390774 Fe\n0.666667 0.333333 0.690911 Fe\n0.663788 0.831894 0.609226 Fe\n0.831894 0.168106 0.109226 Fe\n0.831894 0.663788 0.390774 Fe\n0.666667 0.333333 0.972071 Fe\n0.168106 0.831894 0.609226 Fe\n0.333333 0.666667 0.472071 Fe\n0.168106 0.336212 0.609226 Fe\n0.336212 0.168106 0.109226 Fe\n0.333333 0.666667 0.309089 Fe\n0.666667 0.333333 0.809089 Fe\n0.168106 0.336212 0.890774 Fe\n0.000000 0.000000 0.500000 Fe\n0.666667 0.333333 0.527929 Fe\n0.333333 0.666667 0.027929 Fe\n0.831894 0.168106 0.390774 Fe\n0.831894 0.663788 0.109226 Fe\n0.663788 0.831894 0.890774 Fe\n0.000000 0.000000 0.750000 Fe\n0.168106 0.831894 0.890774 Fe\n0.333333 0.666667 0.190911 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.250000 Fe\n0.666667 0.333333 0.250000 Pb\n0.333333 0.666667 0.750000 Pb\n0.844724 0.689448 0.552916 O\n0.009893 0.504947 0.650574 O\n0.495053 0.504947 0.849426 O\n0.844724 0.155276 0.552916 O\n0.666667 0.333333 0.055196 O\n0.504947 0.495053 0.349426 O\n0.633847 0.816924 0.250000 O\n0.495053 0.990107 0.650574 O\n0.366153 0.183076 0.750000 O\n0.310552 0.155276 0.947084 O\n0.310552 0.155276 0.552916 O\n0.689448 0.844724 0.052916 O\n0.155276 0.310552 0.052916 O\n0.504947 0.009893 0.349426 O\n0.333333 0.666667 0.555196 O\n0.183076 0.366153 0.250000 O\n0.000000 0.000000 0.847922 O\n0.183076 0.816924 0.250000 O\n0.000000 0.000000 0.347922 O\n0.844724 0.155276 0.947084 O\n0.504947 0.009893 0.150574 O\n0.009893 0.504947 0.849426 O\n0.816924 0.183076 0.750000 O\n0.000000 0.000000 0.652078 O\n0.666667 0.333333 0.444804 O\n0.333333 0.666667 0.944804 O\n0.504947 0.495053 0.150574 O\n0.495053 0.504947 0.650574 O\n0.816924 0.633847 0.750000 O\n0.990107 0.495053 0.150574 O\n0.689448 0.844724 0.447084 O\n0.495053 0.990107 0.849426 O\n0.155276 0.844724 0.447084 O\n0.155276 0.310552 0.447084 O\n0.155276 0.844724 0.052916 O\n0.000000 0.000000 0.152078 O\n0.990107 0.495053 0.349426 O\n0.844724 0.689448 0.947084 O\n",
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