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{
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"results": [
{
"id": "mp-1019740",
"created_at": "2022-09-04T14:43:05.971236Z",
"structure_string": "Ga1 B3 N4\n1.0\n3.873710 0.000000 0.000000\n0.000000 3.873710 0.000000\n0.000000 0.000000 3.873710\nGa B N\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.000000 B\n0.500000 0.000000 0.500000 B\n0.000000 0.500000 0.500000 B\n0.727476 0.727476 0.272524 N\n0.727476 0.272524 0.727476 N\n0.272524 0.727476 0.727476 N\n0.272524 0.272524 0.272524 N\n",
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"N"
],
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"formula_full": "Ga1 B3 N4",
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{
"id": "mp-759928",
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"structure_string": "K12 Tb4 Si12 H8 O40\n1.0\n5.968411 0.000000 0.000000\n0.000000 13.316013 0.000000\n0.000000 0.000000 13.772923\nK Tb Si H O\n12 4 12 8 40\ndirect\n0.423815 0.128036 0.750000 K\n0.085668 0.137581 0.516107 K\n0.085668 0.137581 0.983893 K\n0.585668 0.362419 0.483893 K\n0.585668 0.362419 0.016107 K\n0.923815 0.371964 0.250000 K\n0.076185 0.628036 0.750000 K\n0.414332 0.637581 0.516107 K\n0.414332 0.637581 0.983893 K\n0.914332 0.862419 0.016107 K\n0.914332 0.862419 0.483893 K\n0.576185 0.871964 0.250000 K\n0.086349 0.040665 0.250000 Tb\n0.586349 0.459335 0.750000 Tb\n0.413651 0.540665 0.250000 Tb\n0.913651 0.959335 0.750000 Tb\n0.587303 0.097938 0.104038 Si\n0.587303 0.097938 0.395962 Si\n0.919232 0.248045 0.750000 Si\n0.419232 0.251955 0.250000 Si\n0.087303 0.402062 0.604038 Si\n0.087303 0.402062 0.895962 Si\n0.912697 0.597938 0.104038 Si\n0.912697 0.597938 0.395962 Si\n0.580768 0.748045 0.750000 Si\n0.080768 0.751955 0.250000 Si\n0.412697 0.902062 0.604038 Si\n0.412697 0.902062 0.895962 Si\n0.610173 0.070693 0.559585 H\n0.610173 0.070693 0.940415 H\n0.110173 0.429307 0.059585 H\n0.110173 0.429307 0.440415 H\n0.889827 0.570693 0.940415 H\n0.889827 0.570693 0.559585 H\n0.389827 0.929307 0.059585 H\n0.389827 0.929307 0.440415 H\n0.369005 0.029044 0.130593 O\n0.369005 0.029044 0.369407 O\n0.823299 0.044182 0.130235 O\n0.823299 0.044182 0.369765 O\n0.934412 0.127344 0.750000 O\n0.585090 0.130008 0.514570 O\n0.585090 0.130008 0.985430 O\n0.170329 0.205183 0.250000 O\n0.565913 0.211705 0.153551 O\n0.565913 0.211705 0.346449 O\n0.065913 0.288295 0.653551 O\n0.065913 0.288295 0.846449 O\n0.670329 0.294817 0.750000 O\n0.085090 0.369992 0.485430 O\n0.085090 0.369992 0.014570 O\n0.434412 0.372656 0.250000 O\n0.323299 0.455818 0.630235 O\n0.323299 0.455818 0.869765 O\n0.869005 0.470956 0.630593 O\n0.869005 0.470956 0.869407 O\n0.130995 0.529044 0.130593 O\n0.130995 0.529044 0.369407 O\n0.676701 0.544182 0.130235 O\n0.676701 0.544182 0.369765 O\n0.565588 0.627344 0.750000 O\n0.914910 0.630008 0.985430 O\n0.914910 0.630008 0.514570 O\n0.329671 0.705183 0.250000 O\n0.934087 0.711705 0.153551 O\n0.934087 0.711705 0.346449 O\n0.434087 0.788295 0.653551 O\n0.434087 0.788295 0.846449 O\n0.829671 0.794817 0.750000 O\n0.414910 0.869992 0.014570 O\n0.414910 0.869992 0.485430 O\n0.065588 0.872656 0.250000 O\n0.176701 0.955818 0.630235 O\n0.176701 0.955818 0.869765 O\n0.630995 0.970956 0.630593 O\n0.630995 0.970956 0.869407 O\n",
"nsites": 76,
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"elements": [
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],
"chemical_system": "H-K-O-Si-Tb",
"density": 3.1704814635659027,
"density_atomic": 0.0694311790305704,
"volume": 1094.6090943744073,
"volume_molar": 8.67353953091948,
"formula_full": "K12 Tb4 Si12 H8 O40",
"formula_reduced": "K3TbSi3(HO5)2",
"formula_anonymous": "AB2C3D3E10",
"energy": -538.98362815,
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"updated_at": "2021-11-28T01:35:59.951000Z",
"spacegroup": 62
},
{
"id": "mp-541619",
"created_at": "2022-09-04T14:43:05.657681Z",
"structure_string": "Na8 Te4 O12\n1.0\n10.392702 0.000000 0.000000\n0.000000 5.015586 0.000000\n0.000000 0.158126 6.966570\nNa Te O\n8 4 12\ndirect\n0.413385 0.755482 0.141229 Na\n0.913385 0.244518 0.358771 Na\n0.586615 0.244518 0.858771 Na\n0.086615 0.755482 0.641229 Na\n0.246793 0.256339 0.404689 Na\n0.746793 0.743661 0.095311 Na\n0.753207 0.743661 0.595311 Na\n0.253207 0.256339 0.904689 Na\n0.082678 0.735647 0.167123 Te\n0.582678 0.264353 0.332877 Te\n0.917322 0.264353 0.832877 Te\n0.417322 0.735647 0.667123 Te\n0.216147 0.773291 0.353986 O\n0.716147 0.226709 0.146014 O\n0.783853 0.226709 0.646014 O\n0.283853 0.773291 0.853986 O\n0.437352 0.247793 0.166912 O\n0.937352 0.752207 0.333088 O\n0.562648 0.752207 0.833088 O\n0.062648 0.247793 0.666912 O\n0.095372 0.357514 0.149396 O\n0.595372 0.642486 0.350604 O\n0.904628 0.642486 0.850604 O\n0.404628 0.357514 0.649396 O\n",
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"elements": [
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],
"chemical_system": "Na-O-Te",
"density": 4.052901539273465,
"density_atomic": 0.06609096308043862,
"volume": 363.13587942106176,
"volume_molar": 9.111897420333422,
"formula_full": "Na8 Te4 O12",
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"formula_anonymous": "AB2C3",
"energy": -127.04781484999998,
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"updated_at": "2021-11-28T01:35:58.240000Z",
"spacegroup": 14
},
{
"id": "mp-6803",
"created_at": "2022-09-04T14:43:09.781261Z",
"structure_string": "Sr12 Pr8 B16 O48\n1.0\n7.403187 0.000000 0.000000\n0.000000 8.903286 0.000000\n0.000000 0.000000 16.796004\nSr Pr B O\n12 8 16 48\ndirect\n0.320672 0.349560 0.927300 Sr\n0.679328 0.650440 0.427300 Sr\n0.179328 0.849560 0.427300 Sr\n0.820672 0.150440 0.927300 Sr\n0.036849 0.327560 0.722127 Sr\n0.963151 0.672440 0.222127 Sr\n0.463151 0.827560 0.222127 Sr\n0.536849 0.172440 0.722127 Sr\n0.306866 0.351810 0.175546 Sr\n0.693134 0.648190 0.675546 Sr\n0.806866 0.148190 0.175546 Sr\n0.193134 0.851810 0.675546 Sr\n0.031163 0.329255 0.383646 Pr\n0.968837 0.670745 0.883646 Pr\n0.468837 0.829255 0.883646 Pr\n0.531163 0.170745 0.383646 Pr\n0.315520 0.465710 0.554672 Pr\n0.684480 0.534290 0.054672 Pr\n0.184480 0.965710 0.054672 Pr\n0.815520 0.034290 0.554672 Pr\n0.162237 0.061963 0.261439 B\n0.014985 0.370805 0.048933 B\n0.985015 0.629195 0.548933 B\n0.485015 0.870805 0.548933 B\n0.514985 0.129195 0.048933 B\n0.721692 0.355764 0.552440 B\n0.278308 0.644236 0.052440 B\n0.778308 0.855764 0.052440 B\n0.221692 0.144236 0.552440 B\n0.673478 0.451728 0.845602 B\n0.326522 0.548272 0.345602 B\n0.826522 0.951728 0.345602 B\n0.173478 0.048272 0.845602 B\n0.662237 0.438037 0.261439 B\n0.337763 0.561963 0.761439 B\n0.837763 0.938037 0.761439 B\n0.809497 0.491419 0.792758 O\n0.247596 0.719856 0.980798 O\n0.747596 0.780144 0.980798 O\n0.252404 0.219856 0.480798 O\n0.616663 0.259780 0.045585 O\n0.267870 0.218928 0.621302 O\n0.732130 0.781072 0.121302 O\n0.232130 0.718928 0.121302 O\n0.767870 0.281072 0.621302 O\n0.460948 0.055006 0.978858 O\n0.539052 0.944994 0.478858 O\n0.039052 0.555006 0.478858 O\n0.960948 0.444994 0.978858 O\n0.452560 0.073488 0.121280 O\n0.547440 0.926512 0.621280 O\n0.047440 0.573488 0.621280 O\n0.952560 0.426512 0.121280 O\n0.116663 0.240220 0.045585 O\n0.883337 0.759780 0.545585 O\n0.383337 0.740220 0.545585 O\n0.882815 0.060856 0.400570 O\n0.117185 0.939144 0.900570 O\n0.617185 0.560856 0.900570 O\n0.382815 0.439144 0.400570 O\n0.103559 0.191459 0.847828 O\n0.896441 0.808541 0.347828 O\n0.396441 0.691459 0.347828 O\n0.603559 0.308541 0.847828 O\n0.690503 0.991419 0.292758 O\n0.309497 0.008581 0.792758 O\n0.752404 0.280144 0.480798 O\n0.190503 0.508581 0.292758 O\n0.884163 0.038602 0.702362 O\n0.115837 0.961398 0.202362 O\n0.615837 0.538602 0.202362 O\n0.384163 0.461398 0.702362 O\n0.082611 0.204171 0.261059 O\n0.917389 0.795829 0.761059 O\n0.417389 0.704171 0.761059 O\n0.582611 0.295829 0.261059 O\n0.708819 0.971143 0.819220 O\n0.291181 0.028857 0.319220 O\n0.791181 0.471143 0.319220 O\n0.208819 0.528857 0.819220 O\n0.863327 0.992806 0.052675 O\n0.136673 0.007194 0.552675 O\n0.636673 0.492806 0.552675 O\n0.363327 0.507194 0.052675 O\n",
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"formula_full": "Sr12 Pr8 B16 O48",
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{
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"structure_string": "Sr12 Ca12 Si12 O48\n1.0\n5.659595 0.000000 0.000000\n0.000000 9.470456 0.000000\n0.000000 0.000000 21.079638\nSr Ca Si O\n12 12 12 48\ndirect\n0.737569 0.421419 0.389850 Sr\n0.213159 0.575089 0.943644 Sr\n0.737569 0.078581 0.889850 Sr\n0.237569 0.578581 0.610150 Sr\n0.253172 0.924651 0.777904 Sr\n0.253172 0.575349 0.277904 Sr\n0.713159 0.075089 0.556356 Sr\n0.713159 0.424911 0.056356 Sr\n0.753172 0.424651 0.722096 Sr\n0.753172 0.075349 0.222096 Sr\n0.213159 0.924911 0.443644 Sr\n0.237569 0.921419 0.110150 Sr\n0.753174 0.795505 0.335153 Ca\n0.253174 0.295505 0.164847 Ca\n0.747272 0.702448 0.168429 Ca\n0.710382 0.799256 0.002782 Ca\n0.247272 0.202448 0.331571 Ca\n0.747272 0.797552 0.668429 Ca\n0.253174 0.204495 0.664847 Ca\n0.753174 0.704495 0.835153 Ca\n0.247272 0.297552 0.831571 Ca\n0.710382 0.700744 0.502782 Ca\n0.210382 0.299256 0.497218 Ca\n0.210382 0.200744 0.997218 Ca\n0.742077 0.413816 0.573535 Si\n0.244795 0.915850 0.258462 Si\n0.213292 0.584166 0.093690 Si\n0.242077 0.586184 0.426465 Si\n0.242077 0.913816 0.926465 Si\n0.744795 0.084150 0.741538 Si\n0.213292 0.915834 0.593690 Si\n0.713292 0.415834 0.906310 Si\n0.713292 0.084166 0.406310 Si\n0.244795 0.584150 0.758462 Si\n0.744795 0.415850 0.241538 Si\n0.742077 0.086184 0.073535 Si\n0.974660 0.167865 0.104334 O\n0.210819 0.436761 0.050814 O\n0.794083 0.934276 0.780466 O\n0.971591 0.308672 0.252583 O\n0.677655 0.050883 0.667936 O\n0.177655 0.949117 0.332064 O\n0.506367 0.342816 0.273246 O\n0.474660 0.667865 0.395666 O\n0.210819 0.063239 0.550814 O\n0.006367 0.657184 0.726754 O\n0.813291 0.449001 0.500284 O\n0.313291 0.949001 0.999716 O\n0.177655 0.550883 0.832064 O\n0.710819 0.936761 0.449186 O\n0.506179 0.186563 0.082713 O\n0.489264 0.184736 0.428844 O\n0.006179 0.813437 0.917287 O\n0.700921 0.563271 0.612888 O\n0.176863 0.956261 0.667901 O\n0.313291 0.550999 0.499716 O\n0.006179 0.686563 0.417287 O\n0.489264 0.315264 0.928844 O\n0.461415 0.669659 0.078783 O\n0.471591 0.691328 0.747417 O\n0.294083 0.065724 0.219534 O\n0.200921 0.436729 0.387112 O\n0.961415 0.330341 0.921217 O\n0.974660 0.332135 0.604334 O\n0.710819 0.563239 0.949186 O\n0.813291 0.050999 0.000284 O\n0.971591 0.191328 0.752583 O\n0.474660 0.832135 0.895666 O\n0.989264 0.815264 0.571156 O\n0.989264 0.684736 0.071156 O\n0.461415 0.830341 0.578783 O\n0.700921 0.936729 0.112888 O\n0.471591 0.808672 0.247417 O\n0.677655 0.449117 0.167936 O\n0.794083 0.565724 0.280466 O\n0.506179 0.313437 0.582713 O\n0.676863 0.456261 0.832099 O\n0.676863 0.043739 0.332099 O\n0.006367 0.842816 0.226754 O\n0.176863 0.543739 0.167901 O\n0.961415 0.169659 0.421217 O\n0.294083 0.434276 0.719534 O\n0.506367 0.157184 0.773246 O\n0.200921 0.063271 0.887112 O\n",
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{
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"structure_string": "Mo1 W1 S4\n1.0\n1.594205 -2.761244 0.000000\n1.594205 2.761244 0.000000\n0.000000 0.000000 22.370032\nMo W S\n1 1 4\ndirect\n0.000000 0.000000 0.150445 Mo\n0.333333 0.666667 0.451418 W\n0.000000 0.000000 0.521772 S\n0.333333 0.666667 0.080401 S\n0.333333 0.666667 0.220481 S\n0.000000 0.000000 0.381087 S\n",
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{
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"structure_string": "Mn2 O2\n1.0\n-2.768974 -0.000050 -1.598707\n1.845949 -2.610658 -0.000023\n-3.647220 -2.579038 3.119833\nMn O\n2 2\ndirect\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.750000 0.750000 O\n0.500000 0.250000 0.250000 O\n",
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