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{
"id": "mp-1034838",
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{
"id": "mp-505233",
"created_at": "2022-09-04T14:40:23.141263Z",
"structure_string": "Cs2 Sn1 H12 N6\n1.0\n3.518181 -6.093668 0.000000\n3.518181 6.093668 0.000000\n0.000000 0.000000 6.001987\nCs Sn H N\n2 1 12 6\ndirect\n0.333333 0.666667 0.278258 Cs\n0.666667 0.333333 0.721742 Cs\n0.000000 0.000000 0.000000 Sn\n0.404800 0.144326 0.165970 H\n0.855674 0.260474 0.165970 H\n0.739526 0.595200 0.165970 H\n0.595200 0.855674 0.834030 H\n0.144326 0.739526 0.834030 H\n0.260474 0.404800 0.834030 H\n0.257910 0.149444 0.370071 H\n0.850556 0.108466 0.370071 H\n0.891534 0.742090 0.370071 H\n0.742090 0.850556 0.629929 H\n0.149444 0.891534 0.629929 H\n0.108466 0.257910 0.629929 H\n0.297132 0.197397 0.206935 N\n0.802603 0.099735 0.206935 N\n0.900265 0.702868 0.206935 N\n0.702868 0.802603 0.793065 N\n0.197397 0.900265 0.793065 N\n0.099735 0.297132 0.793065 N\n",
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"formula_full": "Cs2 Sn1 H12 N6",
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"updated_at": "2021-11-28T01:34:48.620000Z",
"spacegroup": 147
},
{
"id": "mp-1222345",
"created_at": "2022-09-04T14:40:19.834434Z",
"structure_string": "Li4 Ni4 As4 O16\n1.0\n4.068288 -4.068335 0.000022\n-4.213929 -4.213903 0.000052\n0.000028 0.000074 -8.209350\nLi Ni As O\n4 4 4 16\ndirect\n0.749998 0.750012 0.250001 Li\n0.249998 0.249987 0.750001 Li\n0.249998 0.750012 0.250001 Li\n0.749997 0.249987 0.750001 Li\n0.000005 0.499959 0.499998 Ni\n0.500055 0.500040 0.000035 Ni\n0.500030 0.999965 0.999961 Ni\n0.999958 0.000054 0.499988 Ni\n0.000000 0.249980 0.131183 As\n0.499999 0.750011 0.631183 As\n0.499996 0.249986 0.368817 As\n0.999998 0.750018 0.868817 As\n0.754840 0.249921 0.004026 O\n0.254840 0.750077 0.504025 O\n0.245156 0.249918 0.004028 O\n0.745155 0.750073 0.504026 O\n0.745154 0.249922 0.495977 O\n0.245156 0.750077 0.995975 O\n0.254841 0.249925 0.495976 O\n0.754841 0.750081 0.995974 O\n0.999998 0.009250 0.247130 O\n0.499997 0.509157 0.747064 O\n0.999997 0.490846 0.247064 O\n0.499997 0.990749 0.747134 O\n0.499999 0.490842 0.252939 O\n0.999998 0.990749 0.752871 O\n0.500000 0.009250 0.252867 O\n0.999998 0.509153 0.752937 O\n",
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"formula_full": "Li4 Ni4 As4 O16",
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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",
"nsites": 28,
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"elements": [
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"density_atomic": 0.05148435113357089,
"volume": 543.8545768471834,
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"formula_full": "Zr4 Cr4 Ag4 S16",
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},
{
"id": "mp-1047454",
"created_at": "2022-09-04T14:40:20.478382Z",
"structure_string": "Al2 Sn6 F30\n1.0\n10.130085 0.000000 0.000000\n0.000000 5.848693 0.000000\n0.000000 2.755789 9.686943\nAl Sn F\n2 6 30\ndirect\n0.750000 0.457875 0.764558 Al\n0.250000 0.542125 0.235442 Al\n0.500000 0.000000 0.500000 Sn\n0.551183 0.979067 0.167715 Sn\n0.448817 0.020933 0.832285 Sn\n0.000000 0.000000 0.500000 Sn\n0.948817 0.979067 0.167715 Sn\n0.051183 0.020933 0.832285 Sn\n0.750000 0.614595 0.599169 F\n0.750000 0.863911 0.172315 F\n0.750000 0.582456 0.892955 F\n0.250000 0.385405 0.400831 F\n0.250000 0.417544 0.107045 F\n0.250000 0.136089 0.827685 F\n0.396567 0.173569 0.626053 F\n0.414598 0.098156 0.301268 F\n0.412708 0.132582 0.008874 F\n0.603433 0.826431 0.373947 F\n0.587292 0.867418 0.991126 F\n0.585402 0.901844 0.698732 F\n0.111685 0.726864 0.553982 F\n0.100482 0.714783 0.211187 F\n0.116892 0.702497 0.870631 F\n0.888315 0.273136 0.446018 F\n0.883108 0.297503 0.129369 F\n0.899518 0.285217 0.788813 F\n0.611685 0.273136 0.446018 F\n0.616892 0.297503 0.129369 F\n0.600482 0.285217 0.788813 F\n0.388315 0.726864 0.553982 F\n0.399518 0.714783 0.211187 F\n0.383108 0.702497 0.870631 F\n0.103433 0.173569 0.626053 F\n0.085402 0.098156 0.301268 F\n0.087292 0.132582 0.008874 F\n0.896567 0.826431 0.373947 F\n0.912708 0.867418 0.991126 F\n0.914598 0.901844 0.698732 F\n",
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"formula_full": "Al2 Sn6 F30",
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"spacegroup": 11
},
{
"id": "mp-675128",
"created_at": "2022-09-04T14:40:23.175834Z",
"structure_string": "Sc8 Ti6 O24\n1.0\n5.923499 0.000000 0.000000\n-0.911412 6.020604 0.000000\n-2.054923 -2.324474 11.756009\nSc Ti O\n8 6 24\ndirect\n0.385128 0.863196 0.093229 Sc\n0.305417 0.614429 0.817569 Sc\n0.298633 0.615938 0.316090 Sc\n0.864984 0.691010 0.447890 Sc\n0.694583 0.385571 0.182431 Sc\n0.135016 0.308990 0.552110 Sc\n0.614872 0.136804 0.906771 Sc\n0.701367 0.384062 0.683910 Sc\n0.396195 0.847088 0.587530 Ti\n0.010690 0.014690 0.760234 Ti\n0.845852 0.660823 0.943943 Ti\n0.154148 0.339177 0.056057 Ti\n0.603805 0.152912 0.412470 Ti\n0.989310 0.985310 0.239766 Ti\n0.310863 0.953012 0.803833 O\n0.027565 0.874116 0.089677 O\n0.323275 0.970822 0.298236 O\n0.596746 0.817093 0.960169 O\n0.086834 0.910529 0.595252 O\n0.915489 0.692866 0.794682 O\n0.569233 0.826046 0.463488 O\n0.178563 0.575372 0.964165 O\n0.924637 0.686547 0.277518 O\n0.416105 0.578575 0.159344 O\n0.185042 0.576139 0.461408 O\n0.583895 0.421425 0.840656 O\n0.421662 0.592386 0.659520 O\n0.821437 0.424628 0.035835 O\n0.578338 0.407614 0.340480 O\n0.084511 0.307134 0.205318 O\n0.814958 0.423861 0.538592 O\n0.403254 0.182907 0.039831 O\n0.075363 0.313453 0.722482 O\n0.972435 0.125884 0.910323 O\n0.430767 0.173954 0.536512 O\n0.689137 0.046988 0.196167 O\n0.913166 0.089471 0.404748 O\n0.676725 0.029178 0.701764 O\n",
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"formula_full": "Sc8 Ti6 O24",
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{
"id": "mp-1182594",
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"structure_string": "Cd2 H16 N4 O20\n1.0\n0.000000 5.728461 14.030868\n3.182239 0.000000 14.030868\n3.182239 5.728461 0.000000\nCd H N O\n2 16 4 20\ndirect\n0.267867 0.232133 0.267867 Cd\n0.017867 0.982133 0.017867 Cd\n0.491289 0.589289 0.888603 H\n0.888603 0.030819 0.491289 H\n0.219181 0.361397 0.660711 H\n0.660711 0.758711 0.219181 H\n0.505684 0.523757 0.883483 H\n0.883483 0.087076 0.505684 H\n0.162924 0.366517 0.726243 H\n0.726243 0.744316 0.162924 H\n0.167923 0.173538 0.053953 H\n0.053953 0.604585 0.167923 H\n0.645415 0.196047 0.076462 H\n0.076462 0.082077 0.645415 H\n0.411722 0.995585 0.840406 H\n0.840406 0.752287 0.411722 H\n0.497713 0.409594 0.254415 H\n0.254415 0.838278 0.497713 H\n0.788831 0.529998 0.688707 N\n0.688707 0.992464 0.788831 N\n0.257536 0.561293 0.720002 N\n0.720002 0.461169 0.257536 N\n0.786299 0.614688 0.615836 O\n0.615836 0.983176 0.786299 O\n0.266824 0.634164 0.635312 O\n0.635312 0.463701 0.266824 O\n0.031191 0.267914 0.633232 O\n0.633232 0.067664 0.031191 O\n0.182336 0.616768 0.982086 O\n0.982086 0.218809 0.182336 O\n0.625664 0.623024 0.795377 O\n0.795377 0.955935 0.625664 O\n0.294065 0.454623 0.626976 O\n0.626976 0.624336 0.294065 O\n0.179089 0.700843 0.079789 O\n0.079789 0.040280 0.179089 O\n0.209720 0.170211 0.549157 O\n0.549157 0.070911 0.209720 O\n0.267020 0.138415 0.003036 O\n0.003036 0.591528 0.267020 O\n0.658472 0.246964 0.111585 O\n0.111585 0.982980 0.658472 O\n",
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{
"id": "mp-1195460",
"created_at": "2022-09-04T14:40:23.309962Z",
"structure_string": "Mn2 Bi4 I16 O16\n1.0\n12.851512 0.000000 0.000000\n0.000000 7.551121 0.000000\n0.000000 3.497645 14.552333\nMn Bi I O\n2 4 16 16\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.548338 0.775833 0.935623 Bi\n0.048338 0.224167 0.564377 Bi\n0.451662 0.224167 0.064377 Bi\n0.951662 0.775833 0.435623 Bi\n0.343194 0.891297 0.044485 I\n0.843194 0.108703 0.455515 I\n0.656806 0.108703 0.955515 I\n0.156806 0.891297 0.544485 I\n0.633861 0.525934 0.098250 I\n0.133861 0.474066 0.401750 I\n0.366139 0.474066 0.901750 I\n0.866139 0.525934 0.598250 I\n0.670808 0.730087 0.778487 I\n0.170808 0.269913 0.721513 I\n0.329192 0.269913 0.221513 I\n0.829192 0.730087 0.278487 I\n0.431763 0.149546 0.627102 I\n0.931763 0.850454 0.872898 I\n0.568237 0.850454 0.372898 I\n0.068237 0.149546 0.127102 I\n0.478534 0.349352 0.663641 O\n0.978534 0.650648 0.836359 O\n0.521466 0.650648 0.336359 O\n0.021466 0.349352 0.163641 O\n0.626236 0.720077 0.479280 O\n0.126236 0.279923 0.020720 O\n0.373764 0.279923 0.520720 O\n0.873764 0.720077 0.979280 O\n0.409036 0.730877 0.502605 O\n0.909036 0.269123 0.997395 O\n0.590964 0.269123 0.497395 O\n0.090964 0.730877 0.002605 O\n0.572114 0.110513 0.565520 O\n0.072114 0.889487 0.934480 O\n0.427886 0.889487 0.434480 O\n0.927886 0.110513 0.065520 O\n",
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"formula_full": "Mn2 Bi4 I16 O16",
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