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{
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{
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{
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{
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"created_at": "2022-09-04T14:43:23.559019Z",
"structure_string": "Tb2 Ni4\n1.0\n0.000000 3.584166 3.584166\n3.584166 0.000000 3.584166\n3.584166 3.584166 0.000000\nTb Ni\n2 4\ndirect\n0.250000 0.250000 0.250000 Tb\n0.000000 0.000000 0.000000 Tb\n0.625000 0.625000 0.125000 Ni\n0.625000 0.125000 0.625000 Ni\n0.125000 0.625000 0.625000 Ni\n0.625000 0.625000 0.625000 Ni\n",
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{
"id": "mp-1111793",
"created_at": "2022-09-04T14:43:23.560400Z",
"structure_string": "Rb2 Ga1 Au1 I6\n1.0\n0.000000 5.849808 5.849808\n5.849808 0.000000 5.849808\n5.849808 5.849808 0.000000\nRb Ga Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Au\n0.752299 0.247701 0.247701 I\n0.247701 0.247701 0.752299 I\n0.247701 0.752299 0.752299 I\n0.247701 0.752299 0.247701 I\n0.752299 0.247701 0.752299 I\n0.752299 0.752299 0.247701 I\n",
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{
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{
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{
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{
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"created_at": "2022-09-04T14:43:21.966915Z",
"structure_string": "K4 Na28 V24 Mo8 O80\n1.0\n-0.007780 0.050449 11.108564\n11.444802 -0.002614 -0.007996\n-5.722316 14.596266 -5.480421\nK Na V Mo O\n4 28 24 8 80\ndirect\n0.306852 0.068892 0.118412 K\n0.807029 0.074574 0.119820 K\n0.055793 0.799849 0.119511 K\n0.556603 0.797893 0.119387 K\n0.300794 0.072755 0.606881 Na\n0.306007 0.568345 0.110317 Na\n0.301551 0.568958 0.605460 Na\n0.806460 0.067927 0.605708 Na\n0.804058 0.568861 0.111277 Na\n0.804436 0.566920 0.604774 Na\n0.198676 0.436171 0.397410 Na\n0.195706 0.426993 0.886841 Na\n0.196908 0.936523 0.398371 Na\n0.193705 0.926497 0.886509 Na\n0.702604 0.434707 0.398041 Na\n0.693545 0.425414 0.886736 Na\n0.703208 0.929678 0.398133 Na\n0.692359 0.930747 0.887000 Na\n0.050851 0.291369 0.110776 Na\n0.052254 0.287343 0.604575 Na\n0.052996 0.785543 0.605353 Na\n0.559921 0.289639 0.109415 Na\n0.549893 0.289684 0.605785 Na\n0.555310 0.785120 0.606065 Na\n0.447534 0.214897 0.397724 Na\n0.450207 0.207888 0.888494 Na\n0.452151 0.709156 0.397548 Na\n0.441916 0.710013 0.886595 Na\n0.950150 0.216326 0.398462 Na\n0.939450 0.206728 0.885951 Na\n0.950015 0.711024 0.397333 Na\n0.940604 0.710485 0.885450 Na\n0.003329 0.995769 0.501488 V\n0.000837 0.494347 0.500678 V\n0.503202 0.496558 0.500415 V\n0.255270 0.252334 0.500892 V\n0.254857 0.751728 0.500167 V\n0.751981 0.248334 0.996792 V\n0.756035 0.252360 0.501266 V\n0.756038 0.748636 0.500377 V\n0.113056 0.097147 0.258149 V\n0.102383 0.086900 0.747341 V\n0.104483 0.587034 0.253272 V\n0.100871 0.584072 0.745313 V\n0.613444 0.096686 0.258151 V\n0.603272 0.088749 0.749751 V\n0.605640 0.585300 0.253615 V\n0.601446 0.585233 0.746397 V\n0.354494 0.416440 0.253239 V\n0.351984 0.410496 0.747578 V\n0.362406 0.911410 0.257378 V\n0.351489 0.911422 0.745704 V\n0.855245 0.416803 0.252426 V\n0.851519 0.409739 0.747771 V\n0.862795 0.911702 0.258087 V\n0.850523 0.910639 0.744722 V\n0.998878 0.000695 0.994922 Mo\n0.001911 0.495248 0.997316 Mo\n0.503255 0.999954 0.995013 Mo\n0.508642 0.001276 0.501077 Mo\n0.506137 0.495246 0.997291 Mo\n0.254351 0.248933 0.996989 Mo\n0.250871 0.746490 0.994831 Mo\n0.750901 0.747341 0.995221 Mo\n0.131972 0.136258 0.490343 O\n0.117588 0.117503 0.980484 O\n0.137326 0.633342 0.488095 O\n0.117507 0.609709 0.984294 O\n0.629043 0.120614 0.488947 O\n0.621319 0.120412 0.980262 O\n0.638571 0.626477 0.488805 O\n0.621181 0.611825 0.980117 O\n0.138597 0.383297 0.014473 O\n0.131045 0.393005 0.510999 O\n0.126723 0.874199 0.004177 O\n0.134045 0.891328 0.512856 O\n0.644518 0.373785 0.008275 O\n0.625644 0.389088 0.510711 O\n0.631175 0.878247 0.006758 O\n0.641990 0.881847 0.518867 O\n0.372141 0.117263 0.485281 O\n0.368987 0.114072 0.978484 O\n0.387069 0.612170 0.489738 O\n0.367239 0.610031 0.980472 O\n0.885784 0.105039 0.490266 O\n0.868567 0.130191 0.986036 O\n0.887244 0.610458 0.488627 O\n0.869218 0.612289 0.979688 O\n0.390440 0.379259 0.013056 O\n0.379622 0.378292 0.513448 O\n0.380585 0.877214 0.006766 O\n0.380408 0.873756 0.510965 O\n0.888238 0.383316 0.007762 O\n0.887426 0.381125 0.514866 O\n0.878617 0.882142 0.005658 O\n0.884214 0.870112 0.511183 O\n0.074298 0.098795 0.143911 O\n0.081774 0.099962 0.641037 O\n0.077435 0.587937 0.140347 O\n0.082442 0.600657 0.640616 O\n0.575198 0.099506 0.144370 O\n0.581899 0.107481 0.645071 O\n0.586161 0.588338 0.142846 O\n0.581947 0.598663 0.640483 O\n0.439417 0.399590 0.357965 O\n0.438468 0.392005 0.853346 O\n0.448535 0.886633 0.358464 O\n0.438668 0.894451 0.851273 O\n0.940891 0.398436 0.356488 O\n0.939530 0.394581 0.855693 O\n0.946073 0.891949 0.361609 O\n0.935258 0.897167 0.852201 O\n0.332878 0.301764 0.143051 O\n0.331811 0.292318 0.641299 O\n0.322543 0.794830 0.143984 O\n0.332337 0.791148 0.639686 O\n0.832184 0.306645 0.140509 O\n0.831827 0.290232 0.642511 O\n0.823925 0.795305 0.144073 O\n0.834779 0.788242 0.640920 O\n0.194661 0.221136 0.360815 O\n0.188087 0.210496 0.853422 O\n0.192375 0.709539 0.356681 O\n0.187251 0.706057 0.851447 O\n0.697298 0.219298 0.361347 O\n0.691585 0.209009 0.856261 O\n0.692697 0.707029 0.358055 O\n0.688591 0.708361 0.852034 O\n0.455632 0.054494 0.266256 O\n0.434386 0.056129 0.747655 O\n0.436717 0.561075 0.253817 O\n0.434698 0.554830 0.748311 O\n0.955435 0.054701 0.266452 O\n0.934524 0.055368 0.747126 O\n0.936938 0.563413 0.254680 O\n0.934267 0.553237 0.748003 O\n0.185723 0.443656 0.253805 O\n0.184077 0.441358 0.747182 O\n0.205492 0.962412 0.266683 O\n0.184591 0.943277 0.747513 O\n0.686672 0.441549 0.253893 O\n0.684603 0.442156 0.748039 O\n0.705720 0.961423 0.266696 O\n0.684573 0.943759 0.747569 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"K",
"Na",
"V",
"Mo",
"O"
],
"chemical_system": "K-Mo-Na-O-V",
"density": 3.6362420610415085,
"density_atomic": 0.0774734910126536,
"volume": 1858.7002872567177,
"volume_molar": 7.773163028133602,
"formula_full": "K4 Na28 V24 Mo8 O80",
"formula_reduced": "KNa7V6(MoO10)2",
"formula_anonymous": "AB2C6D7E20",
"energy": -1056.63820391,
"energy_per_atom": -7.337765304930555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -935.26220391,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 29.8480856,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.257000Z",
"spacegroup": 1
},
{
"id": "mp-1205398",
"created_at": "2022-09-04T14:43:21.986678Z",
"structure_string": "Ce1 Co12 B6\n1.0\n3.676912 -4.716558 0.000000\n3.676912 4.716558 0.000000\n-2.373253 0.000000 5.489378\nCe Co B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Ce\n0.134103 0.865897 0.500000 Co\n0.500000 0.134103 0.865897 Co\n0.865897 0.500000 0.134103 Co\n0.500000 0.865897 0.134103 Co\n0.134103 0.500000 0.865897 Co\n0.865897 0.134103 0.500000 Co\n0.544147 0.813696 0.544147 Co\n0.544147 0.544147 0.813696 Co\n0.813696 0.544147 0.544147 Co\n0.455853 0.186304 0.455853 Co\n0.455853 0.455853 0.186304 Co\n0.186304 0.455853 0.455853 Co\n0.769638 0.330353 0.769638 B\n0.769638 0.769638 0.330353 B\n0.330353 0.769638 0.769638 B\n0.230362 0.669647 0.230362 B\n0.230362 0.230362 0.669647 B\n0.669647 0.230362 0.230362 B\n",
"nsites": 19,
"nelements": 3,
"elements": [
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"Co",
"B"
],
"chemical_system": "B-Ce-Co",
"density": 7.955514227878671,
"density_atomic": 0.09979115574727966,
"volume": 190.39763451700424,
"volume_molar": 6.03474397596018,
"formula_full": "Ce1 Co12 B6",
"formula_reduced": "Ce(Co2B)6",
"formula_anonymous": "AB6C12",
"energy": -138.07095366,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:21.488000Z",
"spacegroup": 166
}
]
}