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{
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{
"id": "mp-759493",
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"structure_string": "Li4 Sb4 P8 O28\n1.0\n10.258914 0.000000 0.000000\n0.000000 6.907358 0.000000\n0.000000 3.359986 8.042112\nLi Sb P O\n4 4 8 28\ndirect\n0.084704 0.749199 0.742773 Li\n0.415296 0.749199 0.242773 Li\n0.584704 0.250801 0.757227 Li\n0.915296 0.250801 0.257227 Li\n0.710369 0.620176 0.882344 Sb\n0.789631 0.620176 0.382344 Sb\n0.210369 0.379824 0.617656 Sb\n0.289631 0.379824 0.117656 Sb\n0.334202 0.969169 0.797324 P\n0.165798 0.969169 0.297324 P\n0.402905 0.651425 0.670666 P\n0.097095 0.651425 0.170666 P\n0.902905 0.348575 0.829334 P\n0.597095 0.348575 0.329334 P\n0.834202 0.030831 0.702676 P\n0.665798 0.030831 0.202676 P\n0.186948 0.018151 0.755115 O\n0.372291 0.809248 0.964321 O\n0.894327 0.808558 0.755043 O\n0.388446 0.889024 0.652651 O\n0.313052 0.018151 0.255115 O\n0.127709 0.809248 0.464321 O\n0.107765 0.627491 0.005932 O\n0.605673 0.808558 0.255043 O\n0.111554 0.889024 0.152651 O\n0.276658 0.535212 0.771152 O\n0.392235 0.627491 0.505932 O\n0.528112 0.561670 0.769028 O\n0.028112 0.438330 0.730972 O\n0.776658 0.464788 0.728848 O\n0.223342 0.535212 0.271152 O\n0.971888 0.561670 0.269028 O\n0.471888 0.438330 0.230972 O\n0.607765 0.372509 0.494068 O\n0.723342 0.464788 0.228848 O\n0.888446 0.110976 0.847349 O\n0.394327 0.191442 0.744957 O\n0.892235 0.372509 0.994068 O\n0.872291 0.190752 0.535679 O\n0.686948 0.981849 0.744885 O\n0.611554 0.110976 0.347349 O\n0.105673 0.191442 0.244957 O\n0.627709 0.190752 0.035679 O\n0.813052 0.981849 0.244885 O\n",
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},
{
"id": "mp-695850",
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"structure_string": "Cd1 Cl2\n1.0\n1.956762 3.399917 0.000000\n-1.956762 3.399917 0.000000\n0.000000 0.727766 6.283038\nCd Cl\n1 2\ndirect\n0.500000 0.500000 0.500000 Cd\n0.193915 0.193915 0.271126 Cl\n0.806085 0.806085 0.728874 Cl\n",
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"volume": 83.5999471480403,
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"spacegroup": 12
},
{
"id": "mp-1245169",
"created_at": "2022-09-04T14:41:51.606255Z",
"structure_string": "Zn50 S50\n1.0\n12.845352 -0.133995 -0.698589\n-0.126428 12.836547 -0.027198\n-0.619117 -0.031375 14.445165\nZn S\n50 50\ndirect\n0.024692 0.364394 0.010986 Zn\n0.510353 0.143949 0.260546 Zn\n0.437684 0.010481 0.054114 Zn\n0.933557 0.743536 0.060741 Zn\n0.257923 0.141003 0.641935 Zn\n0.645028 0.622611 0.780477 Zn\n0.838742 0.321791 0.179542 Zn\n0.412107 0.682288 0.357009 Zn\n0.899319 0.465059 0.778908 Zn\n0.147702 0.696775 0.308439 Zn\n0.344603 0.968399 0.289631 Zn\n0.061050 0.076607 0.045768 Zn\n0.415706 0.462986 0.448919 Zn\n0.747092 0.467102 0.388504 Zn\n0.794426 0.194213 0.904950 Zn\n0.308767 0.363670 0.551797 Zn\n0.752224 0.493679 0.988784 Zn\n0.573202 0.333070 0.734800 Zn\n0.946205 0.116392 0.183605 Zn\n0.628175 0.038067 0.767344 Zn\n0.083516 0.137200 0.455278 Zn\n0.914632 0.763499 0.484992 Zn\n0.494820 0.766142 0.178362 Zn\n0.682883 0.090028 0.594693 Zn\n0.734349 0.862843 0.656018 Zn\n0.752207 0.201952 0.388862 Zn\n0.051133 0.943077 0.171484 Zn\n0.826815 0.490844 0.550986 Zn\n0.184740 0.614197 0.572724 Zn\n0.866837 0.075536 0.598819 Zn\n0.204389 0.393644 0.355441 Zn\n0.630523 0.891087 0.415396 Zn\n0.793947 0.613398 0.260676 Zn\n0.143999 0.322255 0.153043 Zn\n0.931185 0.550743 0.380355 Zn\n0.249599 0.893777 0.151908 Zn\n0.674025 0.385737 0.606078 Zn\n0.028423 0.490914 0.143888 Zn\n0.202926 0.865466 0.525963 Zn\n0.472094 0.162665 0.501230 Zn\n0.107351 0.597091 0.837173 Zn\n0.216538 0.784757 0.822935 Zn\n0.123503 0.351236 0.735491 Zn\n0.029566 0.702584 0.712717 Zn\n0.644500 0.014994 0.157132 Zn\n0.879872 0.886116 0.960140 Zn\n0.009680 0.105797 0.782136 Zn\n0.351640 0.543810 0.787249 Zn\n0.385877 0.493712 0.180854 Zn\n0.835170 0.959380 0.318487 Zn\n0.558616 0.876786 0.075399 S\n0.516336 0.007839 0.620560 S\n0.803242 0.572419 0.855150 S\n0.517909 0.492379 0.789707 S\n0.567839 0.485162 0.143176 S\n0.713514 0.330529 0.280764 S\n0.578560 0.778946 0.823124 S\n0.025186 0.958244 0.332239 S\n0.000280 0.266320 0.248433 S\n0.572477 0.502590 0.002406 S\n0.412842 0.239567 0.633337 S\n0.236896 0.471351 0.665584 S\n0.005986 0.972244 0.657878 S\n0.624222 0.191896 0.840508 S\n0.060824 0.823881 0.406199 S\n0.146475 0.225497 0.018396 S\n0.100027 0.770553 0.157531 S\n0.530516 0.154944 0.107760 S\n0.837941 0.327686 0.016012 S\n0.902339 0.119486 0.450413 S\n0.269736 0.694318 0.447753 S\n0.171473 0.182560 0.765815 S\n0.227040 0.039904 0.511887 S\n0.145694 0.308649 0.477243 S\n0.305944 0.352475 0.238143 S\n0.875322 0.227621 0.712113 S\n0.056263 0.429854 0.866671 S\n0.778508 0.798043 0.375530 S\n0.279106 0.638040 0.896939 S\n0.344380 0.660040 0.197774 S\n0.198871 0.770980 0.659500 S\n0.866730 0.586373 0.115777 S\n0.478637 0.845071 0.327814 S\n0.662580 0.044591 0.328413 S\n0.081465 0.525767 0.304642 S\n0.639932 0.236070 0.502692 S\n0.175792 0.929580 0.902178 S\n0.613341 0.621784 0.218916 S\n0.986857 0.601535 0.538173 S\n0.573384 0.869820 0.567930 S\n0.822773 0.993184 0.150934 S\n0.714788 0.646789 0.619895 S\n0.386479 0.131430 0.357767 S\n0.302500 0.900121 0.000524 S\n0.945257 0.359231 0.654328 S\n0.915099 0.834100 0.642101 S\n0.704635 0.881727 0.814951 S\n0.919388 0.061017 0.912251 S\n0.565751 0.579172 0.417367 S\n0.570693 0.586429 0.566085 S\n",
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"formula_full": "Zn50 S50",
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{
"id": "mp-753329",
"created_at": "2022-09-04T14:41:52.055956Z",
"structure_string": "Li6 Ni6 O2 F14\n1.0\n4.258967 -4.254296 -0.001114\n-0.000004 4.253156 -4.253363\n8.461684 4.199130 4.199210\nLi Ni O F\n6 6 2 14\ndirect\n0.999397 0.999701 0.001032 Li\n0.999399 0.499706 0.501028 Li\n0.742666 0.871348 0.386015 Li\n0.742710 0.371359 0.885963 Li\n0.375793 0.687890 0.936195 Li\n0.375785 0.187885 0.436189 Li\n0.385119 0.433157 0.181773 Ni\n0.385144 0.952024 0.181762 Ni\n0.866460 0.433249 0.181916 Ni\n0.385092 0.932999 0.681804 Ni\n0.385310 0.452048 0.681716 Ni\n0.866122 0.933068 0.681830 Ni\n0.614072 0.807062 0.579741 O\n0.614146 0.307084 0.079674 O\n0.135150 0.567582 0.295912 F\n0.135162 0.067584 0.795917 F\n0.144351 0.572160 0.810105 F\n0.144370 0.072188 0.310129 F\n0.616734 0.571986 0.810485 F\n0.616537 0.071809 0.310520 F\n0.616633 0.044725 0.810505 F\n0.616538 0.544739 0.310521 F\n0.132821 0.330887 0.066426 F\n0.132808 0.830885 0.566391 F\n0.132822 0.801942 0.066430 F\n0.132831 0.301934 0.566430 F\n0.603014 0.801512 0.066802 F\n0.603011 0.301489 0.566796 F\n",
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"spacegroup": 160
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{
"id": "mp-27349",
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"structure_string": "B4 S4 F28\n1.0\n5.815232 0.000000 0.000000\n0.000000 9.089276 0.000000\n0.000000 0.000000 9.763841\nB S F\n4 4 28\ndirect\n0.750000 0.160143 0.480186 B\n0.750000 0.339857 0.980186 B\n0.250000 0.660143 0.019814 B\n0.250000 0.839857 0.519814 B\n0.250000 0.384540 0.789253 S\n0.750000 0.615460 0.210747 S\n0.750000 0.884540 0.710747 S\n0.250000 0.115460 0.289253 S\n0.050467 0.738228 0.064770 F\n0.449533 0.761772 0.564770 F\n0.949533 0.238228 0.435230 F\n0.550467 0.261772 0.935230 F\n0.050979 0.055754 0.198108 F\n0.550979 0.944246 0.801892 F\n0.949021 0.555754 0.301892 F\n0.449021 0.444246 0.698108 F\n0.949021 0.944246 0.801892 F\n0.449021 0.055754 0.198108 F\n0.050979 0.444246 0.698108 F\n0.550979 0.555754 0.301892 F\n0.250000 0.273515 0.229850 F\n0.750000 0.726485 0.770150 F\n0.750000 0.773515 0.270150 F\n0.250000 0.226485 0.729850 F\n0.750000 0.152010 0.625863 F\n0.250000 0.847990 0.374137 F\n0.250000 0.652010 0.874137 F\n0.750000 0.347990 0.125863 F\n0.750000 0.018265 0.425151 F\n0.250000 0.981735 0.574849 F\n0.250000 0.518265 0.074849 F\n0.750000 0.481735 0.925151 F\n0.550467 0.238228 0.435230 F\n0.050467 0.761772 0.564770 F\n0.449533 0.738228 0.064770 F\n0.949533 0.261772 0.935230 F\n",
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{
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{
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"structure_string": "Ba1 S1 O4\n1.0\n0.000000 3.698780 3.698780\n3.698780 0.000000 3.698780\n3.698780 3.698780 0.000000\nBa S O\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 S\n0.883612 0.883612 0.349164 O\n0.883612 0.349164 0.883612 O\n0.883612 0.883612 0.883612 O\n0.349164 0.883612 0.883612 O\n",
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{
"id": "mp-1034608",
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"structure_string": "Na1 Mg14 Ga1 O16\n1.0\n8.558666 0.000000 0.000000\n0.000000 8.514395 0.000000\n0.000000 0.000000 4.290070\nNa Mg Ga O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.243052 0.500000 Mg\n0.000000 0.756948 0.500000 Mg\n0.500000 0.247480 0.500000 Mg\n0.500000 0.752520 0.500000 Mg\n0.247214 0.000000 0.500000 Mg\n0.251628 0.500000 0.500000 Mg\n0.752786 0.000000 0.500000 Mg\n0.748372 0.500000 0.500000 Mg\n0.251184 0.244940 0.000000 Mg\n0.251184 0.755060 0.000000 Mg\n0.748816 0.244940 -0.000000 Mg\n0.748816 0.755060 0.000000 Mg\n0.000000 0.500000 0.000000 Ga\n0.262767 0.000000 0.000000 O\n0.244199 0.500000 0.000000 O\n0.737233 0.000000 0.000000 O\n0.755801 0.500000 0.000000 O\n0.249065 0.251690 0.500000 O\n0.249065 0.748310 0.500000 O\n0.750935 0.251690 0.500000 O\n0.750935 0.748310 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.273331 0.000000 O\n0.000000 0.726669 0.000000 O\n0.500000 0.254997 0.000000 O\n0.500000 0.745003 -0.000000 O\n",
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