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{
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"results": [
{
"id": "mp-23476",
"created_at": "2022-09-04T14:40:11.350526Z",
"structure_string": "Cd28 P16 Cl24\n1.0\n12.131777 0.000000 0.000000\n0.000000 12.131777 0.000000\n0.000000 0.000000 12.131777\nCd P Cl\n28 16 24\ndirect\n0.000000 0.500000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.015190 0.274694 0.232109 Cd\n0.515190 0.225306 0.767891 Cd\n0.984810 0.774694 0.267891 Cd\n0.225306 0.767891 0.515190 Cd\n0.267891 0.984810 0.774694 Cd\n0.767891 0.515190 0.225306 Cd\n0.274694 0.232109 0.015190 Cd\n0.232109 0.015190 0.274694 Cd\n0.774694 0.267891 0.984810 Cd\n0.725306 0.732109 0.484810 Cd\n0.732109 0.484810 0.725306 Cd\n0.484810 0.725306 0.732109 Cd\n0.984810 0.725306 0.767891 Cd\n0.484810 0.774694 0.232109 Cd\n0.015190 0.225306 0.732109 Cd\n0.774694 0.232109 0.484810 Cd\n0.732109 0.015190 0.225306 Cd\n0.232109 0.484810 0.774694 Cd\n0.725306 0.767891 0.984810 Cd\n0.767891 0.984810 0.725306 Cd\n0.225306 0.732109 0.015190 Cd\n0.274694 0.267891 0.515190 Cd\n0.267891 0.515190 0.274694 Cd\n0.515190 0.274694 0.267891 Cd\n0.213207 0.286793 0.713207 P\n0.286793 0.713207 0.213207 P\n0.713207 0.213207 0.286793 P\n0.786793 0.786793 0.786793 P\n0.786793 0.713207 0.286793 P\n0.713207 0.286793 0.786793 P\n0.286793 0.786793 0.713207 P\n0.213207 0.213207 0.213207 P\n0.317736 0.182264 0.817736 P\n0.182264 0.817736 0.317736 P\n0.817736 0.317736 0.182264 P\n0.682264 0.682264 0.682264 P\n0.682264 0.817736 0.182264 P\n0.817736 0.182264 0.682264 P\n0.182264 0.682264 0.817736 P\n0.317736 0.317736 0.317736 P\n0.962444 0.021228 0.217807 Cl\n0.462444 0.478772 0.782193 Cl\n0.037556 0.521228 0.282193 Cl\n0.478772 0.782193 0.462444 Cl\n0.282193 0.037556 0.521228 Cl\n0.782193 0.462444 0.478772 Cl\n0.021228 0.217807 0.962444 Cl\n0.217807 0.962444 0.021228 Cl\n0.521228 0.282193 0.037556 Cl\n0.978772 0.717807 0.537556 Cl\n0.717807 0.537556 0.978772 Cl\n0.537556 0.978772 0.717807 Cl\n0.037556 0.978772 0.782193 Cl\n0.537556 0.521228 0.217807 Cl\n0.962444 0.478772 0.717807 Cl\n0.521228 0.217807 0.537556 Cl\n0.717807 0.962444 0.478772 Cl\n0.217807 0.537556 0.521228 Cl\n0.978772 0.782193 0.037556 Cl\n0.782193 0.037556 0.978772 Cl\n0.478772 0.717807 0.962444 Cl\n0.021228 0.282193 0.462444 Cl\n0.282193 0.462444 0.021228 Cl\n0.462444 0.021228 0.282193 Cl\n",
"nsites": 68,
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"elements": [
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"P",
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],
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"density": 4.1793145828275025,
"density_atomic": 0.03808339493325842,
"volume": 1785.5550987292695,
"volume_molar": 15.813035498946114,
"formula_full": "Cd28 P16 Cl24",
"formula_reduced": "Cd7(P2Cl3)2",
"formula_anonymous": "A4B6C7",
"energy": -215.23751791,
"energy_per_atom": -3.1652576163235295,
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"updated_at": "2021-11-28T01:34:48.459000Z",
"spacegroup": 205
},
{
"id": "mp-1018087",
"created_at": "2022-09-04T14:40:13.736864Z",
"structure_string": "Ce2 Au2\n1.0\n1.941871 -5.728323 0.000000\n1.941871 5.728323 0.000000\n0.000000 0.000000 4.721145\nCe Au\n2 2\ndirect\n0.859825 0.140175 0.750000 Ce\n0.140175 0.859825 0.250000 Ce\n0.584581 0.415419 0.750000 Au\n0.415419 0.584581 0.250000 Au\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Au-Ce",
"density": 10.658354948737612,
"density_atomic": 0.03808331827061744,
"volume": 105.03286429969874,
"volume_molar": 15.813067330969117,
"formula_full": "Ce2 Au2",
"formula_reduced": "CeAu",
"formula_anonymous": "AB",
"energy": -20.97860106,
"energy_per_atom": -5.244650265,
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"updated_at": "2021-11-28T01:34:48.752000Z",
"spacegroup": 63
},
{
"id": "mp-1187706",
"created_at": "2022-09-04T14:44:01.835106Z",
"structure_string": "Y2 Cd1 Hg1\n1.0\n0.000000 3.744835 3.744835\n3.744835 0.000000 3.744835\n3.744835 3.744835 0.000000\nY Cd Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Y\n0.750000 0.750000 0.750000 Y\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cd-Hg-Y",
"density": 7.759555292378304,
"density_atomic": 0.0380830685284661,
"volume": 105.03355308698679,
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"formula_full": "Y2 Cd1 Hg1",
"formula_reduced": "Y2CdHg",
"formula_anonymous": "ABC2",
"energy": -15.86763379,
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"total_magnetization": 8.41e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.655000Z",
"spacegroup": 225
},
{
"id": "mp-1195291",
"created_at": "2022-09-04T14:39:12.119374Z",
"structure_string": "Rb8 Cu8 Sb8 S20\n1.0\n10.462448 0.000000 0.000000\n0.000000 6.683865 0.000000\n0.000000 2.850910 16.521912\nRb Cu Sb S\n8 8 8 20\ndirect\n0.358889 0.239410 0.462063 Rb\n0.858889 0.260590 0.537937 Rb\n0.641111 0.760590 0.537937 Rb\n0.141111 0.739410 0.462063 Rb\n0.116687 0.734830 0.067105 Rb\n0.616687 0.765170 0.932895 Rb\n0.883313 0.265170 0.932895 Rb\n0.383313 0.234830 0.067105 Rb\n0.360727 0.576830 0.253980 Cu\n0.860727 0.923170 0.746020 Cu\n0.639273 0.423170 0.746020 Cu\n0.139273 0.076830 0.253980 Cu\n0.648267 0.522222 0.353919 Cu\n0.148267 0.977778 0.646081 Cu\n0.351733 0.477778 0.646081 Cu\n0.851733 0.022222 0.353919 Cu\n0.536767 0.010881 0.283356 Sb\n0.036767 0.489119 0.716644 Sb\n0.463233 0.989119 0.716644 Sb\n0.963233 0.510881 0.283356 Sb\n0.649914 0.619092 0.182534 Sb\n0.149914 0.880908 0.817466 Sb\n0.350086 0.380908 0.817466 Sb\n0.850086 0.119092 0.182534 Sb\n0.659102 0.174293 0.384370 S\n0.159102 0.325707 0.615630 S\n0.340898 0.825707 0.615630 S\n0.840898 0.674293 0.384370 S\n0.462423 0.692893 0.368373 S\n0.962423 0.807107 0.631627 S\n0.537577 0.307107 0.631627 S\n0.037577 0.192893 0.368373 S\n0.445450 0.718913 0.123941 S\n0.945450 0.781087 0.876059 S\n0.554550 0.281087 0.876059 S\n0.054550 0.218913 0.123941 S\n0.343161 0.220198 0.267529 S\n0.843161 0.279802 0.732471 S\n0.656839 0.779802 0.732471 S\n0.156839 0.720198 0.267529 S\n0.806732 0.856036 0.096842 S\n0.306732 0.643964 0.903158 S\n0.193268 0.143964 0.903158 S\n0.693268 0.356036 0.096842 S\n",
"nsites": 44,
"nelements": 4,
"elements": [
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"Cu",
"Sb",
"S"
],
"chemical_system": "Cu-Rb-S-Sb",
"density": 4.0350237074357365,
"density_atomic": 0.038083020791755795,
"volume": 1155.3705322011933,
"volume_molar": 15.813190851981137,
"formula_full": "Rb8 Cu8 Sb8 S20",
"formula_reduced": "Rb2Cu2Sb2S5",
"formula_anonymous": "A2B2C2D5",
"energy": -191.50372232,
"energy_per_atom": -4.352357325454546,
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"updated_at": "2021-11-28T01:34:37.291000Z",
"spacegroup": 14
},
{
"id": "mp-1179981",
"created_at": "2022-09-04T14:42:43.254107Z",
"structure_string": "Pd4 Rh4 N20 Cl20 O4\n1.0\n11.703931 0.000000 0.000000\n0.000000 8.029899 0.000000\n0.000000 0.532049 14.529278\nPd Rh N Cl O\n4 4 20 20 4\ndirect\n0.500000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.500000 0.000000 0.000000 Pd\n0.216420 0.566105 0.289756 Rh\n0.716420 0.433895 0.210244 Rh\n0.783580 0.433895 0.710244 Rh\n0.283580 0.566105 0.789756 Rh\n0.256184 0.590765 0.442289 N\n0.756184 0.409235 0.057711 N\n0.743816 0.409235 0.557711 N\n0.243816 0.590765 0.942289 N\n0.265902 0.524952 0.167231 N\n0.765902 0.475048 0.332769 N\n0.734098 0.475048 0.832769 N\n0.234098 0.524952 0.667231 N\n0.236325 0.332606 0.271897 N\n0.736325 0.667394 0.228103 N\n0.763675 0.667394 0.728103 N\n0.263675 0.332606 0.771897 N\n0.274278 0.836105 0.322679 N\n0.774278 0.163895 0.177321 N\n0.725722 0.163895 0.677321 N\n0.225722 0.836105 0.822679 N\n0.062977 0.585314 0.272769 N\n0.562977 0.414686 0.227231 N\n0.937023 0.414686 0.727231 N\n0.437023 0.585314 0.772769 N\n0.582289 0.053311 0.365014 Cl\n0.082289 0.946689 0.134986 Cl\n0.417711 0.946689 0.634986 Cl\n0.917711 0.053311 0.865014 Cl\n0.718517 0.223747 0.576652 Cl\n0.218517 0.776253 0.923348 Cl\n0.281483 0.776253 0.423348 Cl\n0.781483 0.223747 0.076652 Cl\n0.973952 0.722245 0.516253 Cl\n0.473952 0.277755 0.983747 Cl\n0.026048 0.277755 0.483747 Cl\n0.526048 0.722245 0.016253 Cl\n0.052618 0.004448 0.650442 Cl\n0.552618 0.995552 0.849558 Cl\n0.947382 0.995552 0.349558 Cl\n0.447382 0.004448 0.150442 Cl\n0.495188 0.528957 0.302975 Cl\n0.995188 0.471043 0.197025 Cl\n0.504812 0.471043 0.697025 Cl\n0.004812 0.528957 0.802975 Cl\n0.276953 0.357236 0.184504 O\n0.776953 0.642764 0.315496 O\n0.723047 0.642764 0.815496 O\n0.223047 0.357236 0.684504 O\n",
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],
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"density": 2.298997186913362,
"density_atomic": 0.03808180058919433,
"volume": 1365.4816525339124,
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"formula_full": "Pd4 Rh4 N20 Cl20 O4",
"formula_reduced": "PdRhN5Cl5O",
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"updated_at": "2021-11-28T01:35:58.537000Z",
"spacegroup": 14
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{
"id": "mp-977242",
"created_at": "2022-09-04T14:39:39.402826Z",
"structure_string": "Hg6 Sb2\n1.0\n3.239575 -5.611108 0.000000\n3.239575 5.611108 0.000000\n0.000000 0.000000 5.778561\nHg Sb\n6 2\ndirect\n0.167727 0.335454 0.250000 Hg\n0.664546 0.832273 0.250000 Hg\n0.167727 0.832273 0.250000 Hg\n0.832273 0.664546 0.750000 Hg\n0.335454 0.167727 0.750000 Hg\n0.832273 0.167727 0.750000 Hg\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n",
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"spacegroup": 194
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{
"id": "mp-1220625",
"created_at": "2022-09-04T14:41:59.675272Z",
"structure_string": "Nd4 Si7\n1.0\n-3.267497 0.000000 0.000000\n0.000000 0.000000 -5.589329\n0.000000 -15.816714 0.000000\nNd Si\n4 7\ndirect\n0.000000 0.750000 0.191784 Nd\n0.000000 0.750000 0.631204 Nd\n0.000000 0.250000 0.337906 Nd\n0.000000 0.250000 0.836104 Nd\n0.000000 0.750000 0.398452 Si\n0.000000 0.750000 0.817655 Si\n0.000000 0.250000 0.157118 Si\n0.000000 0.250000 0.655847 Si\n0.000000 0.750000 0.965198 Si\n0.000000 0.250000 0.017124 Si\n0.000000 0.250000 0.514008 Si\n",
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"formula_full": "Nd4 Si7",
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{
"id": "mp-1201087",
"created_at": "2022-09-04T14:39:46.631784Z",
"structure_string": "Ag2 W2 C18 S8 N6\n1.0\n6.636542 0.000000 -0.238694\n0.000000 7.552198 0.000000\n0.104921 0.000000 18.858264\nAg W C S N\n2 2 18 8 6\ndirect\n0.467677 0.309509 0.680334 Ag\n0.532323 0.809509 0.319666 Ag\n0.201287 0.294890 0.799892 W\n0.798713 0.794890 0.200108 W\n0.656427 0.281119 0.594499 C\n0.343573 0.781119 0.405501 C\n0.971505 0.884050 0.942068 C\n0.028495 0.384050 0.057932 C\n0.757664 0.909482 0.925063 C\n0.242336 0.409482 0.074937 C\n0.853674 0.606875 0.872234 C\n0.146326 0.106875 0.127766 C\n0.858045 0.458295 0.844165 C\n0.141955 0.958295 0.155835 C\n0.917386 0.887419 0.570511 C\n0.082614 0.387419 0.429489 C\n0.119868 0.576483 0.693480 C\n0.880132 0.076483 0.306520 C\n0.047682 0.656933 0.640426 C\n0.952318 0.156933 0.359574 C\n0.880306 0.043123 0.551001 C\n0.119694 0.543123 0.448999 C\n0.304724 0.058749 0.743484 S\n0.695276 0.558749 0.256516 S\n0.316551 0.562634 0.751698 S\n0.683449 0.062634 0.248302 S\n0.344939 0.285388 0.901688 S\n0.655061 0.785388 0.098312 S\n0.844661 0.259730 0.808263 S\n0.155339 0.759730 0.191737 S\n0.764364 0.172430 0.570794 N\n0.235636 0.672430 0.429206 N\n0.859551 0.758410 0.904098 N\n0.140449 0.258410 0.095902 N\n0.965687 0.728980 0.585741 N\n0.034313 0.228980 0.414259 N\n",
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},
{
"id": "mp-1225768",
"created_at": "2022-09-04T14:47:12.924893Z",
"structure_string": "Eu1 Zn1 In3\n1.0\n-2.357225 2.357225 5.907858\n2.357225 -2.357225 5.907858\n2.357225 2.357225 -5.907858\nEu Zn In\n1 1 3\ndirect\n0.996499 0.996499 0.000000 Eu\n0.383190 0.383190 0.000000 Zn\n0.258960 0.758960 0.500000 In\n0.758960 0.258960 0.500000 In\n0.602391 0.602391 0.000000 In\n",
"nsites": 5,
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"volume": 131.30828114766007,
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"formula_full": "Eu1 Zn1 In3",
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{
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{
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"elements": [
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],
"chemical_system": "As-O-Tb",
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"density_atomic": 0.03807484571903436,
"volume": 525.2811829517567,
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"formula_full": "Tb4 As8 O8",
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"updated_at": "2021-11-28T01:37:25.431000Z",
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},
{
"id": "mp-1094174",
"created_at": "2022-09-04T14:45:58.484912Z",
"structure_string": "La1 Mg3\n1.0\n-2.687977 2.687977 3.635109\n2.687977 -2.687977 3.635109\n2.687977 2.687977 -3.635109\nLa Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.000000 Mg\n0.250000 0.750000 0.500000 Mg\n0.750000 0.250000 0.500000 Mg\n",
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"elements": [
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],
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"volume": 105.05785412184535,
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"formula_full": "La1 Mg3",
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"updated_at": "2021-11-28T01:37:12.230000Z",
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]
}