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{
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"results": [
{
"id": "mp-1175910",
"created_at": "2022-09-04T14:39:09.438344Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.916168 0.000000 0.000000\n1.517888 6.304589 0.000000\n1.297196 0.101190 7.670079\nLi Mn Co O\n9 2 5 16\ndirect\n0.936760 0.880003 0.369857 Li\n0.682668 0.369851 0.882863 Li\n0.573645 0.137933 0.608242 Li\n0.314910 0.613627 0.136731 Li\n0.188194 0.367612 0.880930 Li\n0.810964 0.617210 0.132487 Li\n0.440623 0.884138 0.369100 Li\n0.060163 0.131267 0.620461 Li\n0.628948 0.252897 0.248702 Li\n0.996169 0.999311 0.004830 Mn\n0.875092 0.751414 0.748058 Mn\n0.751963 0.505665 0.495218 Co\n0.500451 0.001539 0.004813 Co\n0.260953 0.489685 0.487030 Co\n0.376422 0.738388 0.746524 Co\n0.120866 0.252305 0.249869 Co\n0.200515 0.938212 0.178817 O\n0.956236 0.461177 0.675871 O\n0.849138 0.214263 0.434480 O\n0.608243 0.708973 0.924182 O\n0.456235 0.450525 0.694655 O\n0.081744 0.701955 0.924167 O\n0.728795 0.944957 0.162512 O\n0.330132 0.198930 0.440905 O\n0.660653 0.803222 0.576231 O\n0.400412 0.288108 0.067711 O\n0.276567 0.036068 0.835422 O\n0.038689 0.557503 0.310263 O\n0.920047 0.291150 0.060197 O\n0.531762 0.566211 0.335505 O\n0.138519 0.798500 0.576775 O\n0.803519 0.047400 0.816589 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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"spacegroup": 1
},
{
"id": "mp-6961",
"created_at": "2022-09-04T14:39:09.444455Z",
"structure_string": "Sr1 Sb2 Pd2\n1.0\n-2.346007 2.346007 5.537326\n2.346007 -2.346007 5.537326\n2.346007 2.346007 -5.537326\nSr Sb Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.367919 0.367919 0.000000 Sb\n0.632081 0.632081 0.000000 Sb\n0.750000 0.250000 0.500000 Pd\n0.250000 0.750000 0.500000 Pd\n",
"nsites": 5,
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"elements": [
"Sr",
"Sb",
"Pd"
],
"chemical_system": "Pd-Sb-Sr",
"density": 7.409916925476726,
"density_atomic": 0.041015811942119396,
"volume": 121.90420628648992,
"volume_molar": 14.682485789866384,
"formula_full": "Sr1 Sb2 Pd2",
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"formula_anonymous": "AB2C2",
"energy": -24.44967967,
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"total_magnetization": 4.4e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.778000Z",
"spacegroup": 139
},
{
"id": "mp-1245367",
"created_at": "2022-09-04T14:39:09.448556Z",
"structure_string": "Na16 Mo16 N32\n1.0\n5.656099 0.000000 0.000000\n0.000000 11.244832 0.000000\n0.000000 0.000000 15.519688\nNa Mo N\n16 16 32\ndirect\n0.279274 0.999499 0.443731 Na\n0.779274 0.500501 0.556269 Na\n0.720726 0.499499 0.056269 Na\n0.220726 0.000501 0.943731 Na\n0.720726 0.000501 0.556269 Na\n0.220726 0.499499 0.443731 Na\n0.279274 0.500501 0.943731 Na\n0.779274 0.999499 0.056269 Na\n0.234551 0.277245 0.314226 Na\n0.734551 0.222755 0.685774 Na\n0.765449 0.777245 0.185774 Na\n0.265449 0.722755 0.814226 Na\n0.765449 0.722755 0.685774 Na\n0.265449 0.777245 0.314226 Na\n0.234551 0.222755 0.814226 Na\n0.734551 0.277245 0.185774 Na\n0.787782 0.020690 0.308488 Mo\n0.287782 0.479310 0.691512 Mo\n0.212218 0.520690 0.191512 Mo\n0.712218 0.979310 0.808488 Mo\n0.212218 0.979310 0.691512 Mo\n0.712218 0.520690 0.308488 Mo\n0.787782 0.479310 0.808488 Mo\n0.287782 0.020690 0.191512 Mo\n0.727324 0.271612 0.432136 Mo\n0.227324 0.228388 0.567864 Mo\n0.272676 0.771612 0.067864 Mo\n0.772676 0.728388 0.932136 Mo\n0.272676 0.728388 0.567864 Mo\n0.772676 0.771612 0.432136 Mo\n0.727324 0.228388 0.932136 Mo\n0.227324 0.271612 0.067864 Mo\n0.997547 0.311385 0.503349 N\n0.497547 0.188615 0.496651 N\n0.002453 0.811385 0.996651 N\n0.502453 0.688615 0.003349 N\n0.002453 0.688615 0.496651 N\n0.502453 0.811385 0.503349 N\n0.997547 0.188615 0.003349 N\n0.497547 0.311385 0.996651 N\n0.592988 0.418399 0.397226 N\n0.092988 0.081601 0.602774 N\n0.407012 0.918399 0.102774 N\n0.907012 0.581601 0.897226 N\n0.407012 0.581601 0.602774 N\n0.907012 0.918399 0.397226 N\n0.592988 0.081601 0.897226 N\n0.092988 0.418399 0.102774 N\n0.834633 0.185602 0.333408 N\n0.334633 0.314398 0.666592 N\n0.165367 0.685602 0.166592 N\n0.665367 0.814398 0.833408 N\n0.165367 0.814398 0.666592 N\n0.665367 0.685602 0.333408 N\n0.834633 0.314398 0.833408 N\n0.334633 0.185602 0.166592 N\n0.541547 0.488903 0.204753 N\n0.041547 0.011097 0.795247 N\n0.458453 0.988903 0.295247 N\n0.958453 0.511097 0.704753 N\n0.458453 0.511097 0.795247 N\n0.958453 0.988903 0.204753 N\n0.541547 0.011097 0.704753 N\n0.041547 0.488903 0.295247 N\n",
"nsites": 64,
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"elements": [
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"Mo",
"N"
],
"chemical_system": "Mo-N-Na",
"density": 3.955173348740417,
"density_atomic": 0.06483761242187511,
"volume": 987.0813808438061,
"volume_molar": 9.288035964088387,
"formula_full": "Na16 Mo16 N32",
"formula_reduced": "NaMoN2",
"formula_anonymous": "ABC2",
"energy": -494.02114568,
"energy_per_atom": -7.71908040125,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.337000Z",
"spacegroup": 61
},
{
"id": "mp-1080579",
"created_at": "2022-09-04T14:39:09.456082Z",
"structure_string": "Nd2 Cd4 Pd2\n1.0\n2.152576 -5.098559 0.000000\n2.152576 5.098559 0.000000\n0.000000 0.000000 8.462938\nNd Cd Pd\n2 4 2\ndirect\n0.934841 0.065159 0.250000 Nd\n0.065159 0.934841 0.750000 Nd\n0.643797 0.356203 0.450980 Cd\n0.356203 0.643797 0.549020 Cd\n0.643797 0.356203 0.049020 Cd\n0.356203 0.643797 0.950980 Cd\n0.223551 0.776449 0.250000 Pd\n0.776449 0.223551 0.750000 Pd\n",
"nsites": 8,
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"elements": [
"Nd",
"Cd",
"Pd"
],
"chemical_system": "Cd-Nd-Pd",
"density": 8.500762890380871,
"density_atomic": 0.04306583667248462,
"volume": 185.76209399668565,
"volume_molar": 13.9835684740049,
"formula_full": "Nd2 Cd4 Pd2",
"formula_reduced": "NdCd2Pd",
"formula_anonymous": "ABC2",
"energy": -27.98794535,
"energy_per_atom": -3.49849316875,
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"updated_at": "2021-11-28T01:34:26.835000Z",
"spacegroup": 63
},
{
"id": "mp-1642011",
"created_at": "2022-09-04T14:39:09.460267Z",
"structure_string": "Co8 O12 F4\n1.0\n-0.000603 0.003499 -6.006136\n4.642165 4.640178 -0.002631\n4.296190 -4.292780 -3.000118\nCo O F\n8 12 4\ndirect\n0.750269 0.500141 0.999284 Co\n0.499726 0.999852 0.500725 Co\n0.998669 0.965554 0.000273 Co\n0.500917 0.034823 0.000285 Co\n0.749082 0.465167 0.499722 Co\n0.251329 0.534430 0.499735 Co\n0.000364 0.999761 0.499491 Co\n0.249635 0.500240 0.000512 Co\n0.152310 0.999638 0.193290 O\n0.647204 0.999879 0.206316 O\n0.097736 0.500371 0.306711 O\n0.602763 0.500141 0.293682 O\n0.501522 0.320908 0.997755 O\n0.748498 0.179098 0.502201 O\n0.000206 0.679406 0.998603 O\n0.249791 0.820589 0.501407 O\n0.351942 0.000395 0.794845 O\n0.848202 0.999997 0.805703 O\n0.401752 0.500011 0.694305 O\n0.898087 0.499613 0.705159 O\n0.996637 0.283966 0.001662 F\n0.253368 0.216032 0.498359 F\n0.502109 0.716401 0.001080 F\n0.747884 0.783586 0.498894 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"O",
"F"
],
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"density": 5.127334989845645,
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"volume": 239.4789673662039,
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"formula_full": "Co8 O12 F4",
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"energy": -154.77617706,
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"updated_at": "2021-11-28T01:34:41.544000Z",
"spacegroup": 15
},
{
"id": "mp-553925",
"created_at": "2022-09-04T14:39:09.463039Z",
"structure_string": "Rb10 B38 O62\n1.0\n5.852735 9.192558 0.000000\n-5.852735 9.192558 0.000000\n0.000000 1.326276 13.404808\nRb B O\n10 38 62\ndirect\n0.592535 0.059738 0.670078 Rb\n0.407465 0.940262 0.329922 Rb\n0.273314 0.397607 0.683891 Rb\n0.059738 0.592535 0.170078 Rb\n0.000000 0.000000 0.000000 Rb\n0.397607 0.273314 0.183891 Rb\n0.000000 0.000000 0.500000 Rb\n0.726686 0.602393 0.316109 Rb\n0.602393 0.726686 0.816109 Rb\n0.940262 0.407465 0.829922 Rb\n0.726762 0.757121 0.532635 B\n0.040923 0.295816 0.531303 B\n0.439086 0.528020 0.879389 B\n0.387935 0.612065 0.250000 B\n0.288095 0.677672 0.001583 B\n0.612065 0.387935 0.750000 B\n0.901544 0.965379 0.242793 B\n0.480499 0.784440 0.574311 B\n0.034621 0.098456 0.257207 B\n0.897740 0.755232 0.648256 B\n0.029104 0.669364 0.802244 B\n0.560914 0.471980 0.120611 B\n0.102260 0.244768 0.351744 B\n0.704184 0.959077 0.968697 B\n0.757121 0.726762 0.032635 B\n0.970896 0.330636 0.197756 B\n0.098456 0.034621 0.757207 B\n0.755232 0.897740 0.148256 B\n0.273238 0.242879 0.467365 B\n0.677312 0.178118 0.870380 B\n0.965379 0.901544 0.742793 B\n0.677672 0.288095 0.501583 B\n0.322328 0.711905 0.498417 B\n0.821882 0.322688 0.629620 B\n0.959077 0.704184 0.468697 B\n0.215560 0.519501 0.925689 B\n0.471980 0.560914 0.620611 B\n0.711905 0.322328 0.998417 B\n0.669364 0.029104 0.302244 B\n0.519501 0.215560 0.425689 B\n0.244768 0.102260 0.851744 B\n0.330636 0.970896 0.697756 B\n0.528020 0.439086 0.379389 B\n0.242879 0.273238 0.967365 B\n0.784440 0.480499 0.074311 B\n0.295816 0.040923 0.031303 B\n0.178118 0.677312 0.370380 B\n0.322688 0.821882 0.129620 B\n0.322092 0.951424 0.114871 O\n0.995755 0.712314 0.560772 O\n0.516393 0.657047 0.636139 O\n0.517213 0.435395 0.668702 O\n0.887615 0.891593 0.672817 O\n0.656292 0.950075 0.232589 O\n0.173062 0.275815 0.547327 O\n0.794717 0.035101 0.309561 O\n0.712314 0.995755 0.060772 O\n0.482787 0.564605 0.331298 O\n0.049925 0.343708 0.267411 O\n0.192803 0.630321 0.991582 O\n0.964899 0.205283 0.190439 O\n0.369679 0.807197 0.508418 O\n0.951424 0.322092 0.614871 O\n0.743460 0.217688 0.935813 O\n0.256540 0.782312 0.064187 O\n0.782312 0.256540 0.564187 O\n0.112385 0.108407 0.327183 O\n0.898654 0.442330 0.139983 O\n0.275815 0.173062 0.047327 O\n0.035101 0.794717 0.809561 O\n0.557670 0.101346 0.360017 O\n0.807197 0.369679 0.008418 O\n0.229913 0.238333 0.874202 O\n0.217688 0.743460 0.435813 O\n0.004245 0.287686 0.439228 O\n0.238333 0.229913 0.374202 O\n0.677908 0.048576 0.885129 O\n0.022327 0.977673 0.250000 O\n0.775816 0.601035 0.008739 O\n0.620927 0.251601 0.786984 O\n0.205283 0.964899 0.690439 O\n0.761667 0.770087 0.625798 O\n0.564605 0.482787 0.831298 O\n0.251601 0.620927 0.286984 O\n0.724185 0.826938 0.952673 O\n0.748399 0.379073 0.713016 O\n0.368214 0.589402 0.554308 O\n0.435395 0.517213 0.168702 O\n0.342953 0.483607 0.863861 O\n0.224184 0.398965 0.991261 O\n0.770087 0.761667 0.125798 O\n0.601035 0.775816 0.508739 O\n0.048576 0.677908 0.385129 O\n0.101346 0.557670 0.860017 O\n0.657047 0.516393 0.136139 O\n0.950075 0.656292 0.732589 O\n0.442330 0.898654 0.639983 O\n0.977673 0.022327 0.750000 O\n0.108407 0.112385 0.827183 O\n0.287686 0.004245 0.939228 O\n0.891593 0.887615 0.172817 O\n0.631786 0.410598 0.445692 O\n0.343708 0.049925 0.767411 O\n0.483607 0.342953 0.363861 O\n0.379073 0.748399 0.213016 O\n0.398965 0.224184 0.491261 O\n0.630321 0.192803 0.491582 O\n0.826938 0.724185 0.452673 O\n0.589402 0.368214 0.054308 O\n0.410598 0.631786 0.945692 O\n",
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"formula_full": "Rb10 B38 O62",
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"updated_at": "2021-11-28T01:34:41.458000Z",
"spacegroup": 15
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{
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"structure_string": "Rb2\n1.0\n2.525341 -4.374019 0.000000\n2.525341 4.374019 0.000000\n0.000000 0.000000 8.192657\nRb\n2\ndirect\n0.333333 0.666667 0.250000 Rb\n0.666667 0.333333 0.750000 Rb\n",
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{
"id": "mp-1220678",
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"structure_string": "Nb2 Pd1\n1.0\n0.000000 2.148206 6.530934\n1.833177 0.000000 6.530934\n1.833177 2.148206 0.000000\nNb Pd\n2 1\ndirect\n0.336788 0.336788 0.663212 Nb\n0.663212 0.663212 0.336788 Nb\n0.000000 0.000000 0.000000 Pd\n",
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{
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