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{
"id": "mp-1234072",
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"structure_string": "Ca1 Te4 H4 O6 F8\n1.0\n5.577020 0.231777 0.083415\n3.055034 5.946081 0.111571\n2.969634 0.285172 11.436239\nCa Te H O F\n1 4 4 6 8\ndirect\n0.358619 0.659834 0.225602 Ca\n0.799692 0.239928 0.859658 Te\n0.948501 0.761418 0.061570 Te\n0.465304 0.733769 0.600670 Te\n0.832790 0.233142 0.425045 Te\n0.202460 0.243573 0.712853 H\n0.850692 0.860441 0.390238 H\n0.692804 0.754658 0.750801 H\n0.097184 0.225942 0.220410 H\n0.762381 0.563000 0.473416 O\n0.955164 0.045815 0.994690 O\n0.644540 0.639524 0.734581 O\n0.932177 0.353978 0.265872 O\n0.116981 0.141229 0.724018 O\n0.949906 0.938271 0.337066 O\n0.433210 0.423543 0.379331 F\n0.428379 0.443593 0.654613 F\n0.496858 0.920534 0.139687 F\n0.789596 0.964793 0.812051 F\n0.245633 0.083480 0.421255 F\n0.645649 0.940498 0.567958 F\n0.409054 0.546003 0.042730 F\n0.988427 0.397617 0.896358 F\n",
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{
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"structure_string": "Li12 Ni4 As4 C4 O28\n1.0\n0.187633 -0.000275 5.073242\n8.499165 6.570277 0.379725\n-8.498987 6.570085 -0.380440\nLi Ni As C O\n12 4 4 4 28\ndirect\n0.778730 0.173508 0.076472 Li\n0.778767 0.673540 0.576496 Li\n0.221251 0.826501 0.923569 Li\n0.221179 0.326463 0.423551 Li\n0.248015 0.143659 0.875369 Li\n0.247911 0.643658 0.375278 Li\n0.248070 0.374698 0.106418 Li\n0.248078 0.874760 0.606457 Li\n0.751975 0.625351 0.893633 Li\n0.751972 0.125280 0.393585 Li\n0.752043 0.856360 0.124686 Li\n0.752044 0.356337 0.624691 Li\n0.792652 0.035389 0.714383 Ni\n0.207442 0.964570 0.285471 Ni\n0.792650 0.535167 0.214424 Ni\n0.207164 0.464492 0.785358 Ni\n0.720670 0.333460 0.916536 As\n0.720644 0.833413 0.416547 As\n0.279339 0.666504 0.083430 As\n0.279390 0.166605 0.583477 As\n0.689221 0.391483 0.358450 C\n0.689375 0.891599 0.858468 C\n0.310737 0.608552 0.641547 C\n0.310631 0.108472 0.141572 C\n0.373926 0.180892 0.069148 O\n0.374001 0.680959 0.569100 O\n0.626024 0.819159 0.930915 O\n0.625938 0.319108 0.430956 O\n0.933324 0.408751 0.341180 O\n0.933440 0.908890 0.841222 O\n0.066623 0.591236 0.658802 O\n0.066558 0.091156 0.158851 O\n0.505212 0.449522 0.300264 O\n0.505337 0.949697 0.800335 O\n0.494766 0.550462 0.699696 O\n0.494687 0.050362 0.199719 O\n0.378761 0.347183 0.902942 O\n0.378724 0.847095 0.402941 O\n0.621281 0.652770 0.097033 O\n0.621312 0.152987 0.597123 O\n0.166478 0.574590 0.175339 O\n0.166624 0.074725 0.675422 O\n0.833433 0.425383 0.824624 O\n0.833415 0.925319 0.324612 O\n0.832837 0.174198 0.879674 O\n0.832830 0.674156 0.379711 O\n0.833054 0.370192 0.075785 O\n0.833081 0.870276 0.575787 O\n0.166994 0.629768 0.924179 O\n0.167067 0.129719 0.424234 O\n0.167176 0.825778 0.120298 O\n0.167148 0.325850 0.620240 O\n",
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"spacegroup": 11
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{
"id": "mp-1176778",
"created_at": "2022-09-04T14:41:47.598072Z",
"structure_string": "Li4 Co4 P4 O16\n1.0\n1.371450 4.046593 2.533775\n7.115674 -4.217852 2.533177\n1.372036 4.046256 -7.601139\nLi Co P O\n4 4 4 16\ndirect\n0.031104 0.504338 0.465941 Li\n0.531118 0.504306 0.965949 Li\n0.962390 0.004310 0.034737 Li\n0.462414 0.004324 0.534711 Li\n0.974226 0.248971 0.779442 Co\n0.031677 0.749066 0.221868 Co\n0.474173 0.248996 0.279438 Co\n0.531677 0.749057 0.721877 Co\n0.973399 0.126379 0.404038 P\n0.473422 0.126367 0.904035 P\n0.529567 0.626349 0.347877 P\n0.029558 0.626332 0.847866 P\n0.297182 0.158474 0.056731 O\n0.797218 0.158445 0.556739 O\n0.654537 0.658346 0.199421 O\n0.154515 0.658325 0.699409 O\n0.780835 0.096180 0.252210 O\n0.280945 0.096183 0.752198 O\n0.220673 0.596240 0.312472 O\n0.720655 0.596214 0.812457 O\n0.167290 0.278037 0.430496 O\n0.667365 0.278004 0.930520 O\n0.090503 0.778041 0.007367 O\n0.590520 0.778052 0.507392 O\n0.649884 0.472763 0.374514 O\n0.149863 0.472749 0.874507 O\n0.150250 0.972790 0.374129 O\n0.650204 0.972756 0.874177 O\n",
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"formula_full": "Li4 Co4 P4 O16",
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{
"id": "mp-17367",
"created_at": "2022-09-04T14:41:55.824751Z",
"structure_string": "Mn8 Si4 Se16\n1.0\n6.273692 0.000000 0.000000\n0.000000 7.836305 0.000000\n0.000000 0.000000 13.419420\nMn Si Se\n8 4 16\ndirect\n0.495873 0.750000 0.233516 Mn\n0.995873 0.250000 0.266484 Mn\n0.504127 0.250000 0.766484 Mn\n0.004127 0.750000 0.733516 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.593606 0.750000 0.911372 Si\n0.093606 0.250000 0.588628 Si\n0.406394 0.250000 0.088628 Si\n0.906394 0.750000 0.411372 Si\n0.270763 0.750000 0.407132 Se\n0.770763 0.250000 0.092868 Se\n0.729237 0.250000 0.592868 Se\n0.229237 0.750000 0.907132 Se\n0.757313 0.750000 0.569263 Se\n0.257313 0.250000 0.930737 Se\n0.242687 0.250000 0.430737 Se\n0.742687 0.750000 0.069263 Se\n0.748787 0.980366 0.332281 Se\n0.248787 0.019634 0.167719 Se\n0.251213 0.480366 0.667719 Se\n0.751213 0.519634 0.832281 Se\n0.251213 0.019634 0.667719 Se\n0.751213 0.980366 0.832281 Se\n0.748787 0.519634 0.332281 Se\n0.248787 0.480366 0.167719 Se\n",
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],
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"formula_full": "Mn8 Si4 Se16",
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{
"id": "mp-23910",
"created_at": "2022-09-04T14:41:56.349730Z",
"structure_string": "Cr4 H4 O8\n1.0\n-1.608091 2.601446 0.003695\n-1.297531 -2.601232 0.949976\n5.401709 5.168112 16.463412\nCr H O\n4 4 8\ndirect\n0.499408 0.500599 0.501601 Cr\n0.748960 0.250441 0.751855 Cr\n0.999336 0.000811 0.001607 Cr\n0.250016 0.750378 0.251469 Cr\n0.872366 0.127911 0.384083 H\n0.121693 0.878034 0.634341 H\n0.371688 0.628073 0.884285 H\n0.622341 0.377991 0.134057 H\n0.898220 0.102624 0.305295 O\n0.147778 0.852078 0.555393 O\n0.397115 0.602028 0.805648 O\n0.647446 0.352698 0.055398 O\n0.852775 0.147053 0.443702 O\n0.101999 0.897659 0.693923 O\n0.352221 0.647839 0.943896 O\n0.603238 0.397182 0.193652 O\n",
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{
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"structure_string": "Er1 H1 Se1\n1.0\n1.903475 -3.296915 0.000000\n1.903475 3.296915 0.000000\n0.000000 0.000000 3.881145\nEr H Se\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.333333 0.666667 0.000000 H\n0.666667 0.333333 0.500000 Se\n",
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{
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"structure_string": "Ba1 Sr1 Mg14 O16\n1.0\n8.859690 0.000000 0.000000\n0.000000 8.859690 0.000000\n0.000000 0.000000 4.593504\nBa Sr Mg O\n1 1 14 16\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.258631 0.500000 Mg\n0.000000 0.741369 0.500000 Mg\n0.500000 0.236609 0.500000 Mg\n0.500000 0.763391 0.500000 Mg\n0.258631 -0.000000 0.500000 Mg\n0.236609 0.500000 0.500000 Mg\n0.741369 0.000000 0.500000 Mg\n0.763391 0.500000 0.500000 Mg\n0.247646 0.247646 -0.000000 Mg\n0.247646 0.752354 -0.000000 Mg\n0.752354 0.247646 0.000000 Mg\n0.752354 0.752354 0.000000 Mg\n0.266808 -0.000000 0.000000 O\n0.221811 0.500000 0.000000 O\n0.733192 0.000000 -0.000000 O\n0.778189 0.500000 0.000000 O\n0.250466 0.250466 0.500000 O\n0.250466 0.749534 0.500000 O\n0.749534 0.250466 0.500000 O\n0.749534 0.749534 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.266808 0.000000 O\n0.000000 0.733192 0.000000 O\n0.500000 0.221811 0.000000 O\n0.500000 0.778189 0.000000 O\n",
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{
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{
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