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{
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"results": [
{
"id": "mp-1365499",
"created_at": "2022-09-04T14:43:09.511860Z",
"structure_string": "Fe14 Ni11 O32\n1.0\n5.926101 0.000000 0.000000\n2.937950 5.359706 0.000000\n2.963066 1.366053 19.510941\nFe Ni O\n14 11 32\ndirect\n0.512535 0.738208 0.752513 Fe\n0.613894 0.702102 0.936225 Fe\n0.058251 0.732559 0.846332 Fe\n0.125361 0.429903 0.689191 Fe\n0.045970 0.416720 0.510946 Fe\n0.318819 0.340409 0.969949 Fe\n0.058085 0.219474 0.843686 Fe\n0.585415 0.261597 0.434615 Fe\n0.578641 0.944139 0.602816 Fe\n0.538144 0.178780 0.257417 Fe\n0.074492 0.016430 0.166749 Fe\n0.061840 0.719779 0.343225 Fe\n0.552668 0.984702 0.090387 Fe\n0.546160 0.482798 0.088855 Fe\n0.564792 0.222108 0.843399 Ni\n0.569762 0.454038 0.596358 Ni\n0.074661 0.947457 0.600228 Ni\n0.816681 0.090785 0.720660 Ni\n0.817515 0.834744 0.468369 Ni\n0.060624 0.218748 0.342166 Ni\n0.562043 0.717646 0.343216 Ni\n0.313416 0.843012 0.470167 Ni\n0.306239 0.603106 0.217528 Ni\n0.047655 0.488647 0.086273 Ni\n0.812321 0.589482 0.217011 Ni\n0.419870 0.533381 0.905939 O\n0.189186 0.408340 0.788442 O\n0.952485 0.528882 0.905885 O\n0.422769 0.056109 0.906134 O\n0.703262 0.391629 0.782816 O\n0.933970 0.267043 0.654031 O\n0.184272 0.908914 0.784229 O\n0.693401 0.137729 0.531323 O\n0.454291 0.260604 0.653629 O\n0.931642 0.041498 0.892316 O\n0.704855 0.903344 0.784348 O\n0.933939 0.784968 0.656739 O\n0.440504 0.033864 0.406345 O\n0.229275 0.085448 0.540973 O\n0.176516 0.926358 0.268594 O\n0.694012 0.652932 0.531610 O\n0.450732 0.764517 0.653562 O\n0.924900 0.040814 0.407816 O\n0.188236 0.643518 0.530595 O\n0.403565 0.589496 0.400711 O\n0.720287 0.845786 0.285145 O\n0.932710 0.786244 0.153332 O\n0.668571 0.678438 0.034970 O\n0.192884 0.403135 0.278259 O\n0.431354 0.780042 0.151236 O\n0.938930 0.518077 0.411483 O\n0.888884 0.355709 0.143708 O\n0.680398 0.410574 0.279836 O\n0.218223 0.611611 0.036226 O\n0.650961 0.192672 0.040235 O\n0.447690 0.282731 0.160309 O\n0.206443 0.185721 0.038445 O\n",
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"energy": -401.13380547,
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},
{
"id": "mp-1204771",
"created_at": "2022-09-04T14:43:09.519986Z",
"structure_string": "H26 Ru2 C10 S2 N4 Cl6 O6\n1.0\n8.011983 0.000000 0.000000\n-0.614911 10.067461 0.000000\n-3.678960 -0.770732 9.735813\nH Ru C S N Cl O\n26 2 10 2 4 6 6\ndirect\n0.179333 0.871543 0.619642 H\n0.820667 0.128457 0.380358 H\n0.179702 0.771568 0.759074 H\n0.820298 0.228432 0.240926 H\n0.062339 0.705119 0.584641 H\n0.937661 0.294881 0.415359 H\n0.879065 0.065564 0.767930 H\n0.120935 0.934436 0.232070 H\n0.068755 0.982344 0.868248 H\n0.931245 0.017656 0.131752 H\n0.079733 0.071160 0.723667 H\n0.920267 0.928840 0.276333 H\n0.704649 0.451685 0.833480 H\n0.295351 0.548315 0.166520 H\n0.643894 0.260521 0.895036 H\n0.356106 0.739479 0.104964 H\n0.460530 0.241554 0.954464 H\n0.539470 0.758446 0.045536 H\n0.430416 0.190091 0.780194 H\n0.569584 0.809909 0.219806 H\n0.182070 0.376231 0.692828 H\n0.817930 0.623769 0.307172 H\n0.216322 0.382034 0.872386 H\n0.783678 0.617966 0.127614 H\n0.251592 0.530890 0.794592 H\n0.748408 0.469110 0.205408 H\n0.709229 0.729847 0.711975 Ru\n0.290771 0.270153 0.288025 Ru\n0.569994 0.485421 0.810108 C\n0.430006 0.514579 0.189892 C\n0.104131 0.795778 0.654440 C\n0.895869 0.204222 0.345560 C\n0.993799 0.013008 0.765929 C\n0.006201 0.986992 0.234071 C\n0.499118 0.264618 0.866466 C\n0.500882 0.735382 0.133534 C\n0.263779 0.423598 0.794926 C\n0.736221 0.576402 0.205074 C\n0.903661 0.869371 0.648009 S\n0.096339 0.130629 0.351991 S\n0.534720 0.758274 0.559896 N\n0.465280 0.241726 0.440104 N\n0.450639 0.397520 0.826647 N\n0.549361 0.602480 0.173353 N\n0.790683 0.540385 0.604159 Cl\n0.209317 0.459615 0.395841 Cl\n0.628109 0.909242 0.835658 Cl\n0.371891 0.090758 0.164342 Cl\n0.947510 0.701046 0.914713 Cl\n0.052490 0.298954 0.085287 Cl\n0.818139 0.913735 0.508872 O\n0.181861 0.086265 0.491128 O\n0.533105 0.601218 0.772347 O\n0.466895 0.398782 0.227653 O\n0.423915 0.782869 0.459038 O\n0.576085 0.217131 0.540962 O\n",
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"formula_full": "H26 Ru2 C10 S2 N4 Cl6 O6",
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},
{
"id": "mp-30677",
"created_at": "2022-09-04T14:43:09.521524Z",
"structure_string": "Tm12 Ga20\n1.0\n6.048796 0.000000 0.000000\n0.000000 9.624985 0.000000\n0.000000 0.000000 11.268157\nTm Ga\n12 20\ndirect\n0.847904 0.750000 0.072680 Tm\n0.652096 0.750000 0.572680 Tm\n0.152096 0.250000 0.927320 Tm\n0.347904 0.250000 0.427320 Tm\n0.889374 0.509720 0.352458 Tm\n0.610626 0.990280 0.852458 Tm\n0.110626 0.009720 0.647542 Tm\n0.389374 0.490280 0.147542 Tm\n0.110626 0.490280 0.647542 Tm\n0.389374 0.009720 0.147542 Tm\n0.889374 0.990280 0.352458 Tm\n0.610626 0.509720 0.852458 Tm\n0.873921 0.051444 0.090950 Ga\n0.626079 0.448556 0.590950 Ga\n0.126079 0.551444 0.909050 Ga\n0.373921 0.948556 0.409050 Ga\n0.126079 0.948556 0.909050 Ga\n0.373921 0.551444 0.409050 Ga\n0.873921 0.448556 0.090950 Ga\n0.626079 0.051444 0.590950 Ga\n0.174036 0.750000 0.251085 Ga\n0.325964 0.750000 0.751085 Ga\n0.825964 0.250000 0.748915 Ga\n0.674036 0.250000 0.248915 Ga\n0.372525 0.750000 0.006173 Ga\n0.127475 0.750000 0.506173 Ga\n0.627475 0.250000 0.993827 Ga\n0.872525 0.250000 0.493827 Ga\n0.606711 0.750000 0.298757 Ga\n0.893289 0.750000 0.798757 Ga\n0.393289 0.250000 0.701243 Ga\n0.106711 0.250000 0.201243 Ga\n",
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"formula_full": "Tm12 Ga20",
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{
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"structure_string": "Ge12 Rh8 S12\n1.0\n5.935249 -5.925496 0.000000\n5.935249 5.925496 0.000000\n0.019490 0.000000 8.386793\nGe Rh S\n12 8 12\ndirect\n0.855343 0.659702 0.001319 Ge\n0.001319 0.855343 0.659702 Ge\n0.659702 0.001319 0.855343 Ge\n0.144657 0.340298 0.998681 Ge\n0.998681 0.144657 0.340298 Ge\n0.340298 0.998681 0.144657 Ge\n0.645335 0.159192 0.501566 Ge\n0.501566 0.645335 0.159192 Ge\n0.159192 0.501566 0.645335 Ge\n0.354665 0.840808 0.498434 Ge\n0.498434 0.354665 0.840808 Ge\n0.840808 0.498434 0.354665 Ge\n0.747635 0.747635 0.747635 Rh\n0.252365 0.252365 0.252365 Rh\n0.246738 0.246700 0.746129 Rh\n0.746129 0.246738 0.246700 Rh\n0.246700 0.746129 0.246738 Rh\n0.753262 0.753300 0.253871 Rh\n0.253871 0.753262 0.753300 Rh\n0.753300 0.253871 0.753262 Rh\n0.000090 0.859011 0.354612 S\n0.354612 0.000090 0.859011 S\n0.859011 0.354612 0.000090 S\n0.640634 0.854899 0.503022 S\n0.503022 0.640634 0.854899 S\n0.854899 0.503022 0.640634 S\n0.359366 0.145101 0.496978 S\n0.496978 0.359366 0.145101 S\n0.145101 0.496978 0.359366 S\n0.645388 0.999910 0.140989 S\n0.140989 0.645388 0.999910 S\n0.999910 0.140989 0.645388 S\n",
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{
"id": "mp-1221395",
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"structure_string": "Na1 Nb2 S4\n1.0\n1.704921 -2.953010 0.000000\n1.704921 2.953010 0.000000\n0.000000 0.000000 14.320190\nNa Nb S\n1 2 4\ndirect\n0.333333 0.666667 0.000608 Na\n0.000000 0.000000 0.251659 Nb\n0.333333 0.666667 0.748224 Nb\n0.666667 0.333333 0.141197 S\n0.666667 0.333333 0.858668 S\n0.666667 0.333333 0.641889 S\n0.666667 0.333333 0.357954 S\n",
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{
"id": "mp-1247467",
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{
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"structure_string": "K2 Ce2 Ge2 Se8\n1.0\n7.105037 0.000000 0.000000\n0.000000 6.950728 0.000000\n0.000000 2.809582 8.707686\nK Ce Ge Se\n2 2 2 8\ndirect\n0.275386 0.757078 0.936917 K\n0.775386 0.242922 0.063083 K\n0.788166 0.268231 0.553513 Ce\n0.288166 0.731769 0.446487 Ce\n0.254583 0.282271 0.319254 Ge\n0.754583 0.717729 0.680746 Ge\n0.251270 0.079349 0.154838 Se\n0.751270 0.920651 0.845162 Se\n0.029512 0.510315 0.713715 Se\n0.194902 0.074877 0.576370 Se\n0.694902 0.925123 0.423630 Se\n0.010891 0.531696 0.271865 Se\n0.510891 0.468304 0.728135 Se\n0.529512 0.489685 0.286285 Se\n",
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{
"id": "mp-1224499",
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"structure_string": "Li6 P6 H8 O23\n1.0\n-0.108907 -0.066444 8.235689\n-2.708853 -7.262023 2.621015\n8.981394 -0.047065 -4.168170\nLi P H O\n6 6 8 23\ndirect\n0.222897 0.597227 0.677360 Li\n0.778325 0.401232 0.325237 Li\n0.141755 0.018605 0.848459 Li\n0.863250 0.977920 0.150691 Li\n0.092432 0.584211 0.939503 Li\n0.902813 0.413661 0.058957 Li\n0.176705 0.217953 0.417344 P\n0.822899 0.782649 0.581328 P\n0.714054 0.104906 0.835732 P\n0.284966 0.897061 0.163679 P\n0.310632 0.259430 0.760930 P\n0.688976 0.740404 0.238472 P\n0.814766 0.526387 0.713515 H\n0.174657 0.469626 0.277652 H\n0.486572 0.700217 0.700580 H\n0.483129 0.333050 0.298710 H\n0.841142 0.381554 0.792231 H\n0.154502 0.617490 0.206550 H\n0.535841 0.729398 0.881191 H\n0.477549 0.260282 0.124157 H\n0.682981 0.936918 0.666905 O\n0.317953 0.062227 0.334382 O\n0.017333 0.808519 0.682859 O\n0.983018 0.191293 0.314721 O\n0.857896 0.506262 0.815824 O\n0.138938 0.490275 0.176619 O\n0.861029 0.200952 0.863391 O\n0.136914 0.800730 0.132829 O\n0.230401 0.158714 0.569845 O\n0.767176 0.843435 0.429459 O\n0.448741 0.684511 0.774387 O\n0.555895 0.308084 0.234628 O\n0.223527 0.403263 0.466229 O\n0.775487 0.597758 0.532251 O\n0.766668 0.537084 0.200358 O\n0.232441 0.462628 0.801102 O\n0.524053 0.244630 0.791873 O\n0.474758 0.756037 0.205497 O\n0.733961 0.040012 0.961550 O\n0.265809 0.967133 0.040892 O\n0.717294 0.842287 0.159466 O\n0.285369 0.153955 0.838453 O\n0.346498 0.719030 0.484203 O\n",
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{
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}