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{
"id": "mp-684621",
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"structure_string": "Cu13 I15\n1.0\n2.126591 3.665854 0.000000\n-2.126591 3.665854 0.000000\n0.000000 0.234477 52.696462\nCu I\n13 15\ndirect\n0.667312 0.667312 0.918606 Cu\n0.023941 0.023941 0.847824 Cu\n0.689654 0.689654 0.716751 Cu\n0.024348 0.024348 0.648666 Cu\n0.358506 0.358506 0.581864 Cu\n0.692266 0.692266 0.515194 Cu\n0.025246 0.025246 0.448495 Cu\n0.358931 0.358931 0.381795 Cu\n0.691948 0.691948 0.315141 Cu\n0.025373 0.025373 0.248517 Cu\n0.358963 0.358963 0.181943 Cu\n0.691850 0.691850 0.115082 Cu\n0.026378 0.026378 0.046784 Cu\n0.006504 0.006504 0.000195 I\n0.332953 0.332953 0.935271 I\n0.683449 0.683449 0.868144 I\n0.354362 0.354362 0.732373 I\n0.008219 0.008219 0.801026 I\n0.688931 0.688931 0.665468 I\n0.689079 0.689079 0.465695 I\n0.022575 0.022575 0.399059 I\n0.022628 0.022628 0.598799 I\n0.356139 0.356139 0.532279 I\n0.355586 0.355586 0.332418 I\n0.688979 0.688979 0.265827 I\n0.355062 0.355062 0.132844 I\n0.022392 0.022392 0.199295 I\n0.687755 0.687755 0.066379 I\n",
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{
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"structure_string": "Nb4 I16\n1.0\n3.912257 -7.049094 0.000000\n3.912257 7.049094 0.000000\n0.000000 0.000000 14.897429\nNb I\n4 16\ndirect\n0.090292 0.337068 0.623323 Nb\n0.909708 0.662932 0.123323 Nb\n0.662932 0.909708 0.623323 Nb\n0.337068 0.090292 0.123323 Nb\n0.772409 0.740571 0.972038 I\n0.265516 0.734484 0.551773 I\n0.259429 0.227591 0.972038 I\n0.512295 0.487705 0.195051 I\n0.746134 0.253866 0.539571 I\n0.227591 0.259429 0.472038 I\n0.474631 0.009777 0.273631 I\n0.992785 0.007215 0.206921 I\n0.253866 0.746134 0.039571 I\n0.990223 0.525369 0.273631 I\n0.525369 0.990223 0.773631 I\n0.009777 0.474631 0.773631 I\n0.487705 0.512295 0.695051 I\n0.007215 0.992785 0.706921 I\n0.740571 0.772409 0.472038 I\n0.734484 0.265516 0.051773 I\n",
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{
"id": "mp-758613",
"created_at": "2022-09-04T14:47:44.888391Z",
"structure_string": "Li4 V4 P12 O36\n1.0\n7.369341 0.000000 0.000000\n0.000000 9.241909 0.000000\n0.000000 0.000000 12.065628\nLi V P O\n4 4 12 36\ndirect\n0.750000 0.968242 0.032242 Li\n0.750000 0.468242 0.467758 Li\n0.250000 0.531758 0.532242 Li\n0.250000 0.031758 0.967758 Li\n0.750000 0.519407 0.709560 V\n0.750000 0.019407 0.790440 V\n0.250000 0.980593 0.209560 V\n0.250000 0.480593 0.290440 V\n0.953385 0.750801 0.348383 P\n0.953385 0.250801 0.151617 P\n0.750000 0.304749 0.958223 P\n0.750000 0.804749 0.541777 P\n0.546615 0.250801 0.151617 P\n0.546615 0.750801 0.348383 P\n0.453385 0.249199 0.651617 P\n0.453385 0.749199 0.848383 P\n0.250000 0.195251 0.458223 P\n0.250000 0.695251 0.041777 P\n0.046615 0.249199 0.651617 P\n0.046615 0.749199 0.848383 P\n0.977553 0.651298 0.759862 O\n0.977553 0.151298 0.740138 O\n0.944361 0.883981 0.881534 O\n0.944361 0.383981 0.618466 O\n0.918793 0.344549 0.039412 O\n0.918793 0.844549 0.460588 O\n0.750000 0.696208 0.314449 O\n0.750000 0.402361 0.861341 O\n0.750000 0.902361 0.638659 O\n0.750000 0.142255 0.943375 O\n0.750000 0.196208 0.185551 O\n0.750000 0.642255 0.556625 O\n0.581207 0.344549 0.039412 O\n0.581207 0.844549 0.460588 O\n0.555639 0.883981 0.881534 O\n0.555639 0.383981 0.618466 O\n0.522447 0.651298 0.759862 O\n0.522447 0.151298 0.740138 O\n0.477553 0.848702 0.259862 O\n0.477553 0.348702 0.240138 O\n0.444361 0.116019 0.118466 O\n0.444361 0.616019 0.381534 O\n0.418793 0.155451 0.539412 O\n0.418793 0.655451 0.960588 O\n0.250000 0.857745 0.056625 O\n0.250000 0.597639 0.138659 O\n0.250000 0.357745 0.443375 O\n0.250000 0.097639 0.361341 O\n0.250000 0.303792 0.685551 O\n0.250000 0.803792 0.814449 O\n0.081207 0.155451 0.539412 O\n0.081207 0.655451 0.960588 O\n0.055639 0.616019 0.381534 O\n0.055639 0.116019 0.118466 O\n0.022447 0.348702 0.240138 O\n0.022447 0.848702 0.259862 O\n",
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"formula_full": "Li4 V4 P12 O36",
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"spacegroup": 62
},
{
"id": "mp-1097595",
"created_at": "2022-09-04T14:48:30.086536Z",
"structure_string": "Be1 In1 Pt2\n1.0\n-4.625114 5.609464 7.918690\n4.625114 -5.609464 7.918690\n4.625114 5.609464 -7.918690\nBe In Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 In\n0.000000 0.221177 0.221177 Pt\n0.000000 0.778823 0.778823 Pt\n",
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{
"id": "mp-755020",
"created_at": "2022-09-04T14:39:21.245739Z",
"structure_string": "Sr2 Ca4 I12\n1.0\n3.804116 12.550555 0.000000\n-3.804116 12.550555 0.000000\n0.000000 0.814537 8.606414\nSr Ca I\n2 4 12\ndirect\n0.729992 0.270008 0.750000 Sr\n0.270008 0.729992 0.250000 Sr\n0.054582 0.602325 0.629256 Ca\n0.602325 0.054582 0.129256 Ca\n0.397675 0.945418 0.870744 Ca\n0.945418 0.397675 0.370744 Ca\n0.372260 0.489029 0.575279 I\n0.489029 0.372260 0.075279 I\n0.906358 0.883431 0.870872 I\n0.883431 0.906358 0.370872 I\n0.318477 0.244471 0.860428 I\n0.244471 0.318477 0.360428 I\n0.755529 0.681523 0.639572 I\n0.681523 0.755529 0.139572 I\n0.116569 0.093642 0.629128 I\n0.093642 0.116569 0.129128 I\n0.510971 0.627740 0.924721 I\n0.627740 0.510971 0.424721 I\n",
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"volume": 821.8052508954943,
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{
"id": "mp-1208505",
"created_at": "2022-09-04T14:46:08.329624Z",
"structure_string": "Tb16 C8 Br12\n1.0\n3.712030 0.000000 0.000000\n0.000000 10.805966 0.000000\n0.000000 0.000000 20.487736\nTb C Br\n16 8 12\ndirect\n0.250000 0.863286 0.578819 Tb\n0.750000 0.136714 0.421181 Tb\n0.750000 0.636714 0.078819 Tb\n0.250000 0.363286 0.921181 Tb\n0.250000 0.862075 0.743603 Tb\n0.750000 0.137925 0.256397 Tb\n0.750000 0.637925 0.243603 Tb\n0.250000 0.362075 0.756397 Tb\n0.250000 0.871771 0.167435 Tb\n0.750000 0.128229 0.832565 Tb\n0.750000 0.628229 0.667435 Tb\n0.250000 0.371771 0.332565 Tb\n0.250000 0.902496 0.328393 Tb\n0.750000 0.097504 0.671607 Tb\n0.750000 0.597504 0.828393 Tb\n0.250000 0.402496 0.171607 Tb\n0.250000 0.611818 0.749780 C\n0.750000 0.388182 0.250220 C\n0.750000 0.888182 0.249780 C\n0.250000 0.111818 0.750220 C\n0.250000 0.637094 0.155046 C\n0.750000 0.362906 0.844954 C\n0.750000 0.862906 0.655046 C\n0.250000 0.137094 0.344954 C\n0.250000 0.610377 0.552823 Br\n0.750000 0.389623 0.447177 Br\n0.750000 0.889623 0.052823 Br\n0.250000 0.110377 0.947177 Br\n0.250000 0.626586 0.952050 Br\n0.750000 0.373414 0.047950 Br\n0.750000 0.873414 0.452050 Br\n0.250000 0.126586 0.547950 Br\n0.250000 0.638772 0.356408 Br\n0.750000 0.361228 0.643592 Br\n0.750000 0.861228 0.856408 Br\n0.250000 0.138772 0.143592 Br\n",
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{
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"structure_string": "Tl4 In4 Mo8 O32\n1.0\n6.008294 0.000000 0.000000\n0.000000 9.001031 0.000000\n0.000000 0.000000 15.196314\nTl In Mo O\n4 4 8 32\ndirect\n0.750000 0.946425 0.873081 Tl\n0.250000 0.446425 0.626919 Tl\n0.750000 0.553575 0.373081 Tl\n0.250000 0.053575 0.126919 Tl\n0.250000 0.303009 0.892323 In\n0.750000 0.803009 0.607677 In\n0.750000 0.696991 0.107677 In\n0.250000 0.196991 0.392323 In\n0.750000 0.211051 0.538246 Mo\n0.250000 0.498832 0.217542 Mo\n0.250000 0.711051 0.961754 Mo\n0.750000 0.998832 0.282458 Mo\n0.750000 0.288949 0.038246 Mo\n0.750000 0.501168 0.782458 Mo\n0.250000 0.788949 0.461754 Mo\n0.250000 0.001168 0.717542 Mo\n0.501430 0.606006 0.197493 O\n0.750000 0.590689 0.674453 O\n0.250000 0.354260 0.141280 O\n0.498570 0.106006 0.302507 O\n0.750000 0.854260 0.358720 O\n0.250000 0.987833 0.462596 O\n0.005760 0.715907 0.519122 O\n0.750000 0.487833 0.037404 O\n0.250000 0.512167 0.962596 O\n0.994240 0.284093 0.480878 O\n0.001430 0.106006 0.302507 O\n0.005760 0.784093 0.019122 O\n0.750000 0.645740 0.858720 O\n0.501430 0.893994 0.697493 O\n0.250000 0.090689 0.825547 O\n0.750000 0.909311 0.174453 O\n0.994240 0.215907 0.980878 O\n0.250000 0.719905 0.353964 O\n0.494240 0.784093 0.019122 O\n0.250000 0.145740 0.641280 O\n0.498570 0.393994 0.802507 O\n0.001430 0.393994 0.802507 O\n0.750000 0.280095 0.646036 O\n0.998570 0.893994 0.697493 O\n0.750000 0.219905 0.146036 O\n0.750000 0.012167 0.537404 O\n0.505760 0.284093 0.480878 O\n0.250000 0.780095 0.853964 O\n0.250000 0.409311 0.325547 O\n0.998570 0.606006 0.197493 O\n0.494240 0.715907 0.519122 O\n0.505760 0.215907 0.980878 O\n",
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{
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"created_at": "2022-09-04T14:46:52.214828Z",
"structure_string": "K8 Co4 Cl16\n1.0\n9.707524 0.000000 0.000000\n0.000000 6.882701 0.000000\n0.000000 3.762406 12.300274\nK Co Cl\n8 4 16\ndirect\n0.354766 0.776365 0.992989 K\n0.645234 0.223635 0.007011 K\n0.404420 0.403955 0.334876 K\n0.904420 0.596045 0.165124 K\n0.854766 0.223635 0.507011 K\n0.095580 0.403955 0.834876 K\n0.595580 0.596045 0.665124 K\n0.145234 0.776365 0.492989 K\n0.146612 0.117920 0.180109 Co\n0.853388 0.882080 0.819891 Co\n0.353388 0.117920 0.680109 Co\n0.646612 0.882080 0.319891 Co\n0.036719 0.793812 0.931085 Cl\n0.963281 0.206188 0.068915 Cl\n0.101241 0.212169 0.332236 Cl\n0.312485 0.780739 0.720179 Cl\n0.187515 0.780739 0.220179 Cl\n0.834886 0.700798 0.398602 Cl\n0.334886 0.299202 0.101398 Cl\n0.812485 0.219261 0.779821 Cl\n0.898759 0.787831 0.667764 Cl\n0.165114 0.299202 0.601398 Cl\n0.665114 0.700798 0.898602 Cl\n0.687515 0.219261 0.279821 Cl\n0.398759 0.212169 0.832236 Cl\n0.536719 0.206188 0.568915 Cl\n0.601241 0.787831 0.167764 Cl\n0.463281 0.793812 0.431085 Cl\n",
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{
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{
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{
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}