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{
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"results": [
{
"id": "mp-758453",
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"structure_string": "Na8 P8 H16 N8 O20\n1.0\n2.633841 11.199620 0.000000\n-2.633841 11.199620 0.000000\n0.000000 10.913136 11.300458\nNa P H N O\n8 8 16 8 20\ndirect\n0.562537 0.246151 0.103330 Na\n0.179802 0.313819 0.405204 Na\n0.686181 0.820198 0.094796 Na\n0.753849 0.437463 0.396670 Na\n0.246151 0.562537 0.603330 Na\n0.313819 0.179802 0.905204 Na\n0.820198 0.686181 0.594796 Na\n0.437463 0.753849 0.896670 Na\n0.156141 0.080544 0.689464 P\n0.106288 0.785270 0.922496 P\n0.214730 0.893712 0.577504 P\n0.919456 0.843859 0.810536 P\n0.080544 0.156141 0.189464 P\n0.785270 0.106288 0.422496 P\n0.893712 0.214730 0.077504 P\n0.843859 0.919456 0.310536 P\n0.782384 0.242047 0.844595 H\n0.532036 0.673635 0.637185 H\n0.045674 0.609065 0.156189 H\n0.635061 0.863258 0.287391 H\n0.136742 0.364939 0.212609 H\n0.390935 0.954326 0.343811 H\n0.326365 0.467964 0.862815 H\n0.757953 0.217616 0.655405 H\n0.242047 0.782384 0.344595 H\n0.673635 0.532036 0.137185 H\n0.609065 0.045674 0.656189 H\n0.863258 0.635061 0.787391 H\n0.364939 0.136742 0.712609 H\n0.954326 0.390935 0.843811 H\n0.467964 0.326365 0.362815 H\n0.217616 0.757953 0.155405 H\n0.985588 0.065059 0.826099 N\n0.336553 0.858765 0.629254 N\n0.141235 0.663447 0.870746 N\n0.934941 0.014412 0.673901 N\n0.065059 0.985588 0.326099 N\n0.858765 0.336553 0.129254 N\n0.663447 0.141235 0.370746 N\n0.014412 0.934941 0.173901 N\n0.643331 0.015309 0.299113 O\n0.949696 0.358531 0.617465 O\n0.383392 0.572667 0.928325 O\n0.893311 0.872222 0.037281 O\n0.154112 0.433834 0.213500 O\n0.566166 0.845888 0.286500 O\n0.127778 0.106689 0.462719 O\n0.427333 0.616608 0.571675 O\n0.641469 0.050304 0.882535 O\n0.984691 0.356669 0.200887 O\n0.015309 0.643331 0.799113 O\n0.358531 0.949696 0.117465 O\n0.572667 0.383392 0.428325 O\n0.872222 0.893311 0.537281 O\n0.433834 0.154112 0.713500 O\n0.845888 0.566166 0.786500 O\n0.106689 0.127778 0.962719 O\n0.616608 0.427333 0.071675 O\n0.050304 0.641469 0.382535 O\n0.356669 0.984691 0.700887 O\n",
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"formula_full": "Na8 P8 H16 N8 O20",
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"updated_at": "2021-11-28T01:35:24.106000Z",
"spacegroup": 15
},
{
"id": "mp-1380156",
"created_at": "2022-09-04T14:41:11.183312Z",
"structure_string": "Cd2 H16 N4 O20\n1.0\n0.000000 5.529036 12.872671\n2.933382 0.000000 12.872671\n2.933382 5.529036 0.000000\nCd H N O\n2 16 4 20\ndirect\n0.260433 0.239567 0.260433 Cd\n0.010433 0.989567 0.010433 Cd\n0.494801 0.623744 0.900098 H\n0.889991 0.998609 0.499913 H\n0.268643 0.349902 0.626256 H\n0.626256 0.755199 0.268643 H\n0.498570 0.499997 0.951838 H\n0.951838 0.049595 0.498570 H\n0.200405 0.298162 0.750003 H\n0.750003 0.751430 0.200405 H\n0.153467 0.179059 0.040481 H\n0.040481 0.626993 0.153467 H\n0.623007 0.209519 0.070941 H\n0.070941 0.096533 0.623007 H\n0.438658 0.962045 0.837650 H\n0.837650 0.761647 0.438658 H\n0.488353 0.412350 0.287955 H\n0.287955 0.811342 0.488353 H\n0.832087 0.490574 0.671047 N\n0.671047 0.006293 0.832087 N\n0.243707 0.578953 0.759426 N\n0.759426 0.417913 0.243707 N\n0.785883 0.620760 0.598190 O\n0.598190 0.995167 0.785883 O\n0.254833 0.651810 0.629240 O\n0.629240 0.464117 0.254833 O\n0.071427 0.240097 0.548415 O\n0.548415 0.140061 0.071427 O\n0.109939 0.701585 0.009903 O\n0.009903 0.178573 0.109939 O\n0.647878 0.606696 0.858703 O\n0.858703 0.886723 0.647878 O\n0.363277 0.391297 0.643304 O\n0.643304 0.602122 0.363277 O\n0.437896 0.612142 0.880856 O\n0.880642 0.077501 0.436774 O\n0.180894 0.369144 0.637858 O\n0.644917 0.813226 0.172499 O\n0.251216 0.154567 0.964936 O\n0.964936 0.629281 0.251216 O\n0.620719 0.285064 0.095433 O\n0.095433 0.998784 0.620719 O\n",
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"formula_full": "Cd2 H16 N4 O20",
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"spacegroup": 1
},
{
"id": "mp-1522681",
"created_at": "2022-09-04T14:41:05.373709Z",
"structure_string": "K1 Nd1 V4 O12\n1.0\n0.000000 3.612898 4.909417\n0.000000 -3.612898 4.909417\n7.251550 0.000000 0.000000\nK Nd V O\n1 1 4 12\ndirect\n0.027041 0.027041 -0.000000 K\n0.564705 0.564705 0.500000 Nd\n0.534264 0.043619 0.748062 V\n0.534264 0.043619 0.251938 V\n0.043619 0.534264 0.251938 V\n0.043619 0.534264 0.748062 V\n0.694768 0.221837 0.721379 O\n0.221837 0.694768 0.721379 O\n0.221837 0.694768 0.278621 O\n0.694768 0.221837 0.278621 O\n0.734018 0.734018 0.740407 O\n0.240974 0.240974 0.751178 O\n0.240974 0.240974 0.248822 O\n0.734018 0.734018 0.259593 O\n0.520382 0.005436 -0.000000 O\n0.471958 0.973918 0.500000 O\n0.005436 0.520382 -0.000000 O\n0.973918 0.471958 0.500000 O\n",
"nsites": 18,
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"elements": [
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"V",
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"chemical_system": "K-Nd-O-V",
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"formula_full": "K1 Nd1 V4 O12",
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"spacegroup": 38
},
{
"id": "mp-626785",
"created_at": "2022-09-04T14:42:11.556697Z",
"structure_string": "K2 H2 O2\n1.0\n2.006672 -5.447890 0.000000\n2.006672 5.447890 0.000000\n0.000000 0.000000 3.936683\nK H O\n2 2 2\ndirect\n0.643043 0.356957 0.237191 K\n0.356957 0.643043 0.737191 K\n0.960984 0.039016 0.101659 H\n0.039016 0.960984 0.601659 H\n0.889803 0.110197 0.255735 O\n0.110197 0.889803 0.755735 O\n",
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{
"id": "mp-1245274",
"created_at": "2022-09-04T14:41:49.192042Z",
"structure_string": "Ga50 As50\n1.0\n13.739200 -0.818752 -0.276891\n-0.762115 12.685021 -0.230927\n-0.290588 -0.278831 13.522266\nGa As\n50 50\ndirect\n0.120249 0.423066 0.939609 Ga\n0.884413 0.621088 0.629415 Ga\n0.957244 0.242324 0.627708 Ga\n0.364431 0.166670 0.795156 Ga\n0.996806 0.316864 0.808153 Ga\n0.882563 0.636317 0.924548 Ga\n0.820811 0.344689 0.046865 Ga\n0.729195 0.589093 0.012972 Ga\n0.481488 0.711303 0.315976 Ga\n0.114240 0.370448 0.145419 Ga\n0.995291 0.592635 0.335414 Ga\n0.542795 0.829767 0.965233 Ga\n0.791374 0.150161 0.410678 Ga\n0.936225 0.821087 0.582652 Ga\n0.597564 0.792581 0.786199 Ga\n0.840961 0.227253 0.193858 Ga\n0.712204 0.639672 0.484253 Ga\n0.846061 0.687820 0.354145 Ga\n0.768950 0.990780 0.686223 Ga\n0.543125 0.210432 0.324533 Ga\n0.356723 0.443744 0.816461 Ga\n0.367228 0.223490 0.393542 Ga\n0.082771 0.831907 0.470693 Ga\n0.544649 0.743003 0.136332 Ga\n0.086335 0.706556 0.747473 Ga\n0.516891 0.480331 0.372040 Ga\n0.350338 0.928153 0.525283 Ga\n0.674198 0.986436 0.053100 Ga\n0.176353 0.678777 0.030960 Ga\n0.972398 0.101237 0.201926 Ga\n0.508865 0.010013 0.341670 Ga\n0.543203 0.337158 0.568180 Ga\n0.752004 0.740191 0.708674 Ga\n0.285652 0.582678 0.303165 Ga\n0.792056 0.387223 0.562282 Ga\n0.392481 0.667859 0.939628 Ga\n0.600606 0.564461 0.229772 Ga\n0.687361 0.525476 0.658063 Ga\n0.312560 0.415994 0.106929 Ga\n0.764876 0.179109 0.825430 Ga\n0.355734 0.448093 0.554155 Ga\n0.643659 0.439384 0.820077 Ga\n0.232809 0.697820 0.536513 Ga\n0.258083 0.263301 0.978984 Ga\n0.438732 0.733368 0.559997 Ga\n0.941327 0.340698 0.448758 Ga\n0.548908 0.089820 0.948280 Ga\n0.826105 0.007543 0.938892 Ga\n0.312973 0.786104 0.369028 Ga\n0.129762 0.860887 0.025601 Ga\n0.365141 0.112527 0.984874 As\n0.980354 0.030069 0.638480 As\n0.328594 0.862418 0.799317 As\n0.281453 0.036628 0.373414 As\n0.195338 0.850241 0.655571 As\n0.544627 0.259741 0.835672 As\n0.815838 0.382981 0.305721 As\n0.128674 0.745942 0.311599 As\n0.714453 0.846085 0.534530 As\n0.749233 0.683186 0.183941 As\n0.217493 0.586620 0.866553 As\n0.230754 0.028451 0.089374 As\n0.317674 0.620567 0.120118 As\n0.352953 0.388580 0.291026 As\n0.418768 0.002181 0.701593 As\n0.546112 0.860866 0.452486 As\n0.956988 0.547249 0.783901 As\n0.587507 0.989793 0.779127 As\n0.202965 0.444101 0.431516 As\n0.999690 0.630525 0.071350 As\n0.763661 0.181425 0.618447 As\n0.013348 0.550361 0.516598 As\n0.254209 0.555390 0.668419 As\n0.728305 0.876963 0.205309 As\n0.648054 0.359426 0.412445 As\n0.126382 0.029873 0.521776 As\n0.014492 0.806711 0.166994 As\n0.095489 0.158607 0.061334 As\n0.421577 0.715357 0.746073 As\n0.590364 0.185600 0.670385 As\n0.668726 0.399186 0.139253 As\n0.854619 0.824550 0.863700 As\n0.083647 0.302254 0.334822 As\n0.526973 0.565229 0.549057 As\n0.089891 0.035638 0.794569 As\n0.563421 0.220775 0.139789 As\n0.849502 0.880682 0.417121 As\n0.506351 0.469065 0.075650 As\n0.959654 0.471983 0.174736 As\n0.034994 0.855244 0.860243 As\n0.104668 0.106680 0.349647 As\n0.559707 0.571529 0.929313 As\n0.368171 0.257836 0.577516 As\n0.216980 0.272891 0.794579 As\n0.885052 0.930052 0.115837 As\n0.679339 0.103655 0.217134 As\n0.112831 0.424197 0.599395 As\n0.819727 0.383276 0.868292 As\n0.981978 0.131526 0.907084 As\n0.353763 0.930669 0.238630 As\n",
"nsites": 100,
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"elements": [
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],
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"volume": 2346.231348984422,
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"formula_full": "Ga50 As50",
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"energy": -376.80605064,
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"updated_at": "2021-11-28T01:35:27.772000Z",
"spacegroup": 1
},
{
"id": "mp-22906",
"created_at": "2022-09-04T14:41:26.906626Z",
"structure_string": "Cs1 Br1\n1.0\n4.393019 0.000000 0.000000\n0.000000 4.393019 0.000000\n0.000000 0.000000 4.393019\nCs Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Br\n",
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],
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"volume": 84.77918647335062,
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"formula_full": "Cs1 Br1",
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"energy": -6.55736268,
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"updated_at": "2021-11-28T01:35:23.873000Z",
"spacegroup": 221
},
{
"id": "mp-14722",
"created_at": "2022-09-04T14:41:12.983746Z",
"structure_string": "Na8 Sr8 Al8 F48\n1.0\n5.404006 0.000000 0.000000\n0.000000 9.529991 0.000000\n0.000000 0.000000 18.612336\nNa Sr Al F\n8 8 8 48\ndirect\n0.255571 0.868149 0.313161 Na\n0.744429 0.368149 0.686839 Na\n0.244429 0.868149 0.813161 Na\n0.755571 0.368149 0.186839 Na\n0.760158 0.772584 0.433373 Na\n0.239842 0.272584 0.566627 Na\n0.739842 0.772584 0.933373 Na\n0.260158 0.272584 0.066627 Na\n0.247984 0.639910 0.132729 Sr\n0.752016 0.139910 0.867271 Sr\n0.252016 0.639910 0.632729 Sr\n0.747984 0.139910 0.367271 Sr\n0.248753 0.502473 0.383716 Sr\n0.751247 0.002473 0.616284 Sr\n0.251247 0.502473 0.883716 Sr\n0.748753 0.002473 0.116284 Sr\n0.241290 0.899195 0.993351 Al\n0.758710 0.399195 0.006649 Al\n0.258710 0.899195 0.493351 Al\n0.741290 0.399195 0.506649 Al\n0.751856 0.741348 0.254702 Al\n0.248144 0.241348 0.745297 Al\n0.748144 0.741348 0.754703 Al\n0.251856 0.241348 0.245298 Al\n0.467881 0.174167 0.179187 F\n0.532119 0.674167 0.820813 F\n0.032119 0.174167 0.679187 F\n0.967881 0.674167 0.320813 F\n0.551510 0.463106 0.076320 F\n0.448490 0.963106 0.923680 F\n0.948490 0.463106 0.576320 F\n0.051510 0.963106 0.423680 F\n0.986376 0.149239 0.207846 F\n0.013624 0.649239 0.792154 F\n0.513624 0.149239 0.707846 F\n0.486376 0.649239 0.292154 F\n0.330941 0.749307 0.433184 F\n0.669059 0.249307 0.566816 F\n0.169059 0.749307 0.933184 F\n0.830941 0.249307 0.066816 F\n0.313957 0.101330 0.308491 F\n0.320582 0.040122 0.054510 F\n0.686043 0.601330 0.691509 F\n0.813957 0.601330 0.191509 F\n0.529085 0.993673 0.460078 F\n0.470915 0.493673 0.539922 F\n0.970915 0.993673 0.960078 F\n0.029085 0.493673 0.039922 F\n0.001780 0.839496 0.211173 F\n0.998220 0.339496 0.788827 F\n0.498219 0.839496 0.711173 F\n0.501780 0.339496 0.288827 F\n0.195268 0.390723 0.184084 F\n0.804732 0.890723 0.815916 F\n0.304732 0.390723 0.684084 F\n0.695268 0.890723 0.315916 F\n0.532916 0.821895 0.189893 F\n0.467084 0.321895 0.810107 F\n0.967084 0.821895 0.689893 F\n0.032916 0.321895 0.310107 F\n0.029345 0.822490 0.060842 F\n0.970655 0.322490 0.939158 F\n0.470655 0.822490 0.560842 F\n0.529345 0.322490 0.439158 F\n0.990185 0.296991 0.464672 F\n0.009815 0.796991 0.535328 F\n0.509815 0.296991 0.964672 F\n0.490185 0.796991 0.035328 F\n0.820582 0.540122 0.445490 F\n0.179418 0.040122 0.554510 F\n0.679418 0.540122 0.945490 F\n0.186043 0.101330 0.808491 F\n",
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