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{
"id": "mp-1222892",
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"structure_string": "La1 Ni5 H6\n1.0\n2.705454 -4.685983 0.000000\n2.705454 4.685983 0.000000\n0.000000 0.000000 4.069155\nLa Ni H\n1 5 6\ndirect\n0.000000 0.000000 0.878829 La\n0.666667 0.333333 0.993684 Ni\n0.333333 0.666667 0.993684 Ni\n0.500000 0.500000 0.504209 Ni\n0.000000 0.500000 0.504209 Ni\n0.500000 0.000000 0.504209 Ni\n0.795460 0.204540 0.290392 H\n0.409081 0.204540 0.290392 H\n0.795460 0.590919 0.290392 H\n0.204540 0.795460 0.290392 H\n0.204540 0.409081 0.290392 H\n0.590919 0.795460 0.290392 H\n",
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{
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},
{
"id": "mp-1019055",
"created_at": "2022-09-04T14:46:24.912376Z",
"structure_string": "Re2 N4\n1.0\n4.390104 0.000000 0.000000\n0.000000 4.390104 0.000000\n0.000000 0.000000 2.676564\nRe N\n2 4\ndirect\n0.500000 0.500000 0.500000 Re\n0.000000 0.000000 0.500000 Re\n0.114372 0.614372 0.000000 N\n0.885628 0.385628 0.000000 N\n0.614372 0.885628 0.000000 N\n0.385628 0.114372 0.000000 N\n",
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{
"id": "mp-778201",
"created_at": "2022-09-04T14:45:35.051341Z",
"structure_string": "Li10 Fe3 Co2 Ni3 O16\n1.0\n-5.897407 0.000000 0.000000\n2.929854 5.127154 0.000000\n-0.009093 -0.054179 -9.667219\nLi Fe Co Ni O\n10 3 2 3 16\ndirect\n0.808837 0.195277 0.551091 Li\n0.402903 0.207581 0.553237 Li\n0.684911 0.356218 0.782716 Li\n0.808976 0.624489 0.550811 Li\n0.190453 0.808824 0.058283 Li\n0.206060 0.414500 0.051333 Li\n0.356908 0.681137 0.282919 Li\n0.620852 0.813736 0.049440 Li\n0.016235 0.022850 0.988332 Li\n0.017220 0.012727 0.480593 Li\n0.183379 0.356320 0.782952 Fe\n0.184427 0.848224 0.785228 Fe\n0.359047 0.184588 0.282917 Fe\n0.350029 0.680806 0.529092 Co\n0.685224 0.350277 0.031058 Co\n0.845670 0.180692 0.286048 Ni\n0.845272 0.671342 0.287468 Ni\n0.675212 0.847635 0.787237 Ni\n0.019861 0.010320 0.180399 O\n0.018505 0.017620 0.674706 O\n0.525082 0.040444 0.151989 O\n0.353611 0.189185 0.906026 O\n0.522523 0.496121 0.154573 O\n0.676981 0.342845 0.403487 O\n0.854150 0.196631 0.911327 O\n0.980675 0.493520 0.156664 O\n0.195775 0.354874 0.410453 O\n0.854178 0.681591 0.914957 O\n0.036592 0.527174 0.654852 O\n0.495877 0.524221 0.656303 O\n0.339782 0.680836 0.904665 O\n0.196751 0.848821 0.409580 O\n0.493818 0.984256 0.655621 O\n0.674106 0.841205 0.416618 O\n",
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{
"id": "mp-1201205",
"created_at": "2022-09-04T14:47:23.799738Z",
"structure_string": "Li16 B4 H40 N12\n1.0\n-5.368733 5.368733 5.368733\n5.368733 -5.368733 5.368733\n5.368733 5.368733 -5.368733\nLi B H N\n16 4 40 12\ndirect\n0.536877 0.750000 0.286877 Li\n0.250000 0.213123 0.963123 Li\n0.286877 0.536877 0.750000 Li\n0.963123 0.250000 0.213123 Li\n0.750000 0.286877 0.536877 Li\n0.213123 0.963123 0.250000 Li\n0.773638 0.750000 0.523638 Li\n0.250000 0.976362 0.726362 Li\n0.523638 0.773638 0.750000 Li\n0.726362 0.250000 0.976362 Li\n0.750000 0.523638 0.773638 Li\n0.976362 0.726362 0.250000 Li\n0.963146 0.500000 0.000000 Li\n0.000000 0.963146 0.500000 Li\n0.500000 0.000000 0.963146 Li\n0.536854 0.536854 0.536854 Li\n0.230501 0.500000 0.000000 B\n0.000000 0.230501 0.500000 B\n0.500000 0.000000 0.230501 B\n0.269499 0.269499 0.269499 B\n0.585909 0.591205 0.889040 H\n0.696868 0.610960 0.202165 H\n0.494704 0.297835 0.908795 H\n0.202165 0.696868 0.610960 H\n0.908795 0.494704 0.297835 H\n0.889040 0.585909 0.591205 H\n0.297835 0.908795 0.494704 H\n0.591205 0.889040 0.585909 H\n0.610960 0.202165 0.696868 H\n0.914091 0.803132 0.005296 H\n0.803132 0.005296 0.914091 H\n0.005296 0.914091 0.803132 H\n0.442359 0.414331 0.700540 H\n0.741818 0.799460 0.213790 H\n0.528028 0.286210 0.085669 H\n0.213790 0.741818 0.799460 H\n0.085669 0.528028 0.286210 H\n0.700540 0.442359 0.414331 H\n0.286210 0.085669 0.528028 H\n0.414331 0.700540 0.442359 H\n0.799460 0.213790 0.741818 H\n0.057641 0.758182 0.971972 H\n0.758182 0.971972 0.057641 H\n0.971972 0.057641 0.758182 H\n0.156352 0.530664 0.886784 H\n0.269569 0.613216 0.143880 H\n0.125689 0.356120 0.969336 H\n0.143880 0.269569 0.613216 H\n0.969336 0.125689 0.356120 H\n0.886784 0.156352 0.530664 H\n0.356120 0.969336 0.125689 H\n0.530664 0.886784 0.156352 H\n0.613216 0.143880 0.269569 H\n0.343648 0.230431 0.374311 H\n0.230431 0.374311 0.343648 H\n0.374311 0.343648 0.230431 H\n0.362843 0.500000 0.000000 H\n0.000000 0.362843 0.500000 H\n0.500000 0.000000 0.362843 H\n0.137157 0.137157 0.137157 H\n0.520577 0.548174 0.756585 N\n0.763992 0.743415 0.291589 N\n0.472403 0.208411 0.951826 N\n0.291589 0.763992 0.743415 N\n0.951826 0.472403 0.208411 N\n0.756585 0.520577 0.548174 N\n0.208411 0.951826 0.472403 N\n0.548174 0.756585 0.520577 N\n0.743415 0.291589 0.763992 N\n0.979423 0.736008 0.027597 N\n0.736008 0.027597 0.979423 N\n0.027597 0.979423 0.736008 N\n",
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"formula_full": "Li16 B4 H40 N12",
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{
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"structure_string": "Li14 Co10 O24\n1.0\n0.012010 -0.013773 6.481199\n9.940163 -0.010875 -1.247509\n-0.748249 6.403132 0.764657\nLi Co O\n14 10 24\ndirect\n0.835148 0.253950 0.168831 Li\n0.832697 0.745910 0.165300 Li\n0.070624 0.127939 0.409724 Li\n0.072043 0.624808 0.414416 Li\n0.593386 0.375059 0.925633 Li\n0.591171 0.869942 0.923192 Li\n0.751470 0.126424 0.748514 Li\n0.752494 0.618136 0.758598 Li\n0.421410 0.128986 0.085192 Li\n0.424998 0.621519 0.080163 Li\n0.241116 0.379051 0.254071 Li\n0.248140 0.873798 0.246641 Li\n0.916787 0.375548 0.573192 Li\n0.918679 0.876333 0.582928 Li\n0.335569 0.002074 0.667054 Co\n0.330978 0.501934 0.667646 Co\n0.672966 0.998111 0.329665 Co\n0.667688 0.499270 0.332393 Co\n0.160965 0.749119 0.841279 Co\n0.998062 0.502829 0.003086 Co\n0.996292 0.000817 0.004820 Co\n0.508319 0.253766 0.483448 Co\n0.519001 0.748658 0.488681 Co\n0.150594 0.252634 0.839645 Co\n0.440614 0.183861 0.776384 O\n0.429390 0.681208 0.783137 O\n0.220977 0.327899 0.554848 O\n0.221884 0.812207 0.566953 O\n0.946893 0.446760 0.279163 O\n0.941437 0.945287 0.279985 O\n0.728408 0.049510 0.050451 O\n0.719491 0.555480 0.056764 O\n0.120714 0.169322 0.107124 O\n0.123241 0.682838 0.097114 O\n0.774351 0.173946 0.449722 O\n0.773100 0.678392 0.462331 O\n0.893979 0.321614 0.876026 O\n0.905234 0.819539 0.878441 O\n0.540563 0.319094 0.223447 O\n0.547480 0.825584 0.223556 O\n0.605702 0.442029 0.615411 O\n0.622408 0.937409 0.604786 O\n0.279907 0.444078 0.936638 O\n0.264877 0.930042 0.953477 O\n0.399954 0.058147 0.376739 O\n0.385415 0.559352 0.396695 O\n0.044744 0.061146 0.728997 O\n0.058637 0.568638 0.727698 O\n",
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{
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{
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{
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{
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{
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}