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{
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{
"id": "mp-21173",
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"structure_string": "In4 Co2 S8\n1.0\n0.000000 5.305010 5.305010\n5.305010 0.000000 5.305010\n5.305010 5.305010 0.000000\nIn Co S\n4 2 8\ndirect\n0.625000 0.125000 0.125000 In\n0.125000 0.125000 0.125000 In\n0.125000 0.625000 0.125000 In\n0.125000 0.125000 0.625000 In\n0.500000 0.500000 0.500000 Co\n0.750000 0.750000 0.750000 Co\n0.374320 0.374320 0.374320 S\n0.372961 0.875680 0.875680 S\n0.875680 0.875680 0.372961 S\n0.875680 0.372961 0.875680 S\n0.374320 0.374320 0.877039 S\n0.374320 0.877039 0.374320 S\n0.875680 0.875680 0.875680 S\n0.877039 0.374320 0.374320 S\n",
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{
"id": "mp-759535",
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"structure_string": "Na12 Cu20 O16\n1.0\n7.026902 0.000000 0.000000\n0.000000 8.501094 0.000000\n0.000000 3.858384 12.770048\nNa Cu O\n12 20 16\ndirect\n0.641548 0.910305 0.581940 Na\n0.920850 0.662991 0.907473 Na\n0.248966 0.738630 0.573185 Na\n0.858452 0.910305 0.081940 Na\n0.579150 0.662991 0.407473 Na\n0.251034 0.738630 0.073185 Na\n0.748966 0.261370 0.926815 Na\n0.420850 0.337009 0.592527 Na\n0.141548 0.089695 0.918060 Na\n0.751034 0.261370 0.426815 Na\n0.079150 0.337009 0.092527 Na\n0.358452 0.089695 0.418060 Na\n0.582742 0.950410 0.898606 Cu\n0.335457 0.940039 0.745301 Cu\n0.917258 0.950410 0.398606 Cu\n0.458011 0.685882 0.885648 Cu\n0.164543 0.940039 0.245301 Cu\n0.550745 0.557854 0.732462 Cu\n0.041989 0.685882 0.385648 Cu\n0.312719 0.418076 0.898669 Cu\n0.812719 0.581924 0.601331 Cu\n0.050745 0.442146 0.767538 Cu\n0.949255 0.557854 0.232462 Cu\n0.187281 0.418076 0.398669 Cu\n0.687281 0.581924 0.101331 Cu\n0.958011 0.314118 0.614352 Cu\n0.449255 0.442146 0.267538 Cu\n0.835457 0.059961 0.754699 Cu\n0.541989 0.314118 0.114352 Cu\n0.082742 0.049590 0.601394 Cu\n0.664543 0.059961 0.254699 Cu\n0.417258 0.049590 0.101394 Cu\n0.834651 0.006123 0.898682 O\n0.332112 0.878923 0.892482 O\n0.665349 0.006123 0.398682 O\n0.167888 0.878923 0.392482 O\n0.565659 0.489167 0.877241 O\n0.554076 0.624392 0.587425 O\n0.054076 0.375608 0.912575 O\n0.065659 0.510833 0.622759 O\n0.934341 0.489167 0.377241 O\n0.945924 0.624392 0.087425 O\n0.445924 0.375608 0.412575 O\n0.434341 0.510833 0.122759 O\n0.832112 0.121077 0.607518 O\n0.334651 0.993877 0.601318 O\n0.667888 0.121077 0.107518 O\n0.165349 0.993877 0.101318 O\n",
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{
"id": "mp-1245586",
"created_at": "2022-09-04T14:46:15.282080Z",
"structure_string": "Ca54 Te18 N72\n1.0\n17.307876 -0.000002 0.000006\n-8.653940 14.989059 0.000006\n0.000004 0.000006 9.523187\nCa Te N\n54 18 72\ndirect\n0.999989 0.999999 0.750101 Ca\n0.999999 0.999989 0.250101 Ca\n0.666664 0.333325 0.807923 Ca\n0.333325 0.666664 0.307923 Ca\n0.333333 0.666661 0.830417 Ca\n0.666661 0.333333 0.330417 Ca\n0.657410 0.686988 0.861133 Ca\n0.313026 0.970428 0.861114 Ca\n0.029580 0.342589 0.861134 Ca\n0.686988 0.657410 0.361133 Ca\n0.970428 0.313026 0.361114 Ca\n0.342589 0.029580 0.361134 Ca\n0.682707 0.028918 0.739008 Ca\n0.971094 0.653776 0.739266 Ca\n0.346214 0.317304 0.739122 Ca\n0.028918 0.682707 0.239008 Ca\n0.653776 0.971094 0.239266 Ca\n0.317304 0.346214 0.239122 Ca\n0.765225 0.854633 0.565537 Ca\n0.145359 0.910578 0.565519 Ca\n0.089423 0.234784 0.565522 Ca\n0.854633 0.765225 0.065537 Ca\n0.910578 0.145359 0.065519 Ca\n0.234784 0.089423 0.065522 Ca\n0.776010 0.923497 0.913266 Ca\n0.076529 0.852555 0.913260 Ca\n0.147465 0.223973 0.913269 Ca\n0.923497 0.776010 0.413266 Ca\n0.852555 0.076529 0.413260 Ca\n0.223973 0.147465 0.413269 Ca\n0.823124 0.257427 0.665260 Ca\n0.742579 0.565692 0.665265 Ca\n0.434305 0.176889 0.665272 Ca\n0.257427 0.823124 0.165260 Ca\n0.565692 0.742579 0.165265 Ca\n0.176889 0.434305 0.165272 Ca\n0.479013 0.599731 0.639398 Ca\n0.400274 0.879273 0.639403 Ca\n0.120720 0.520982 0.639411 Ca\n0.599731 0.479013 0.139398 Ca\n0.879273 0.400274 0.139403 Ca\n0.520982 0.120720 0.139411 Ca\n0.480712 0.901969 0.978672 Ca\n0.098052 0.578717 0.978687 Ca\n0.421273 0.519313 0.978669 Ca\n0.901969 0.480712 0.478672 Ca\n0.578717 0.098052 0.478687 Ca\n0.519313 0.421273 0.478669 Ca\n0.739032 0.192382 0.996078 Ca\n0.807584 0.546625 0.996075 Ca\n0.453361 0.260968 0.996079 Ca\n0.192382 0.739032 0.496078 Ca\n0.546625 0.807584 0.496075 Ca\n0.260968 0.453361 0.496079 Ca\n0.895979 0.121419 0.726910 Te\n0.878588 0.774555 0.726911 Te\n0.225440 0.104028 0.726915 Te\n0.121419 0.895979 0.226910 Te\n0.774555 0.878588 0.226911 Te\n0.104028 0.225440 0.226915 Te\n0.889916 0.444687 0.819393 Te\n0.555309 0.445222 0.819380 Te\n0.554769 0.110087 0.819391 Te\n0.444687 0.889916 0.319393 Te\n0.445222 0.555309 0.319380 Te\n0.110087 0.554769 0.319391 Te\n0.558147 0.791522 0.824493 Te\n0.208474 0.766623 0.824554 Te\n0.233377 0.441840 0.824530 Te\n0.791522 0.558147 0.324493 Te\n0.766623 0.208474 0.324554 Te\n0.441840 0.233377 0.324530 Te\n0.995053 0.126008 0.831597 N\n0.873969 0.869043 0.831550 N\n0.130942 0.004951 0.831596 N\n0.126008 0.995053 0.331597 N\n0.869043 0.873969 0.331550 N\n0.004951 0.130942 0.331596 N\n0.629743 0.906733 0.916011 N\n0.093300 0.723051 0.916186 N\n0.276967 0.370244 0.916099 N\n0.906733 0.629743 0.416011 N\n0.723051 0.093300 0.416186 N\n0.370244 0.276967 0.416099 N\n0.935080 0.209687 0.575170 N\n0.790338 0.725384 0.575154 N\n0.274603 0.064928 0.575178 N\n0.209687 0.935080 0.075170 N\n0.725384 0.790338 0.075154 N\n0.064928 0.274603 0.075178 N\n0.658026 0.160554 0.693057 N\n0.839467 0.497489 0.693049 N\n0.502510 0.341979 0.693039 N\n0.160554 0.658026 0.193057 N\n0.497489 0.839467 0.193049 N\n0.341979 0.502510 0.193039 N\n0.795459 0.334182 0.902054 N\n0.665816 0.461271 0.902014 N\n0.538707 0.204539 0.902017 N\n0.334182 0.795459 0.402054 N\n0.461271 0.665816 0.402014 N\n0.204539 0.538707 0.402017 N\n0.626864 0.770001 0.680624 N\n0.229964 0.856841 0.680658 N\n0.143151 0.373132 0.680642 N\n0.770001 0.626864 0.180624 N\n0.856841 0.229964 0.180658 N\n0.373132 0.143151 0.180642 N\n0.587472 0.057427 0.973295 N\n0.942594 0.530097 0.973239 N\n0.469930 0.412516 0.973261 N\n0.057427 0.587472 0.473295 N\n0.530097 0.942594 0.473239 N\n0.412516 0.469930 0.473261 N\n0.969465 0.413579 0.719983 N\n0.586417 0.555883 0.719955 N\n0.444131 0.030534 0.719935 N\n0.413579 0.969465 0.219983 N\n0.555883 0.586417 0.219955 N\n0.030534 0.444131 0.219935 N\n0.823196 0.146396 0.855451 N\n0.853594 0.676799 0.855484 N\n0.323198 0.176800 0.855466 N\n0.146396 0.823196 0.355451 N\n0.676799 0.853594 0.355484 N\n0.176800 0.323198 0.355466 N\n0.513695 0.680641 0.934509 N\n0.319378 0.833069 0.934502 N\n0.166945 0.486300 0.934513 N\n0.680641 0.513695 0.434509 N\n0.833069 0.319378 0.434502 N\n0.486300 0.166945 0.434513 N\n0.814514 0.001714 0.651908 N\n0.998300 0.812789 0.651952 N\n0.187204 0.185499 0.651928 N\n0.001714 0.814514 0.151908 N\n0.812789 0.998300 0.151952 N\n0.185499 0.187204 0.151928 N\n0.458565 0.794808 0.735884 N\n0.205145 0.663726 0.735973 N\n0.336267 0.541423 0.735935 N\n0.794808 0.458565 0.235884 N\n0.663726 0.205145 0.235973 N\n0.541423 0.336267 0.235935 N\n",
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"formula_full": "Ca54 Te18 N72",
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{
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{
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"structure_string": "Rb1 Hf1 Mg14 O15\n1.0\n9.069294 0.000000 0.000000\n0.000000 8.725066 0.000000\n0.000000 0.000000 4.370698\nRb Hf Mg O\n1 1 14 15\ndirect\n0.032662 0.000000 0.000000 Rb\n0.495669 0.500000 0.000000 Hf\n0.984357 0.500000 0.000000 Mg\n0.511336 0.000000 0.000000 Mg\n-0.010323 0.245236 0.500000 Mg\n-0.010323 0.754764 0.500000 Mg\n0.506587 0.245469 0.500000 Mg\n0.506587 0.754531 0.500000 Mg\n0.279931 0.000000 0.500000 Mg\n0.231628 0.500000 0.500000 Mg\n0.741483 0.000000 0.500000 Mg\n0.757049 0.500000 0.500000 Mg\n0.246103 0.246011 0.000000 Mg\n0.246103 0.753989 -0.000000 Mg\n0.760093 0.241679 0.000000 Mg\n0.760093 0.758321 0.000000 Mg\n0.300168 0.000000 0.000000 O\n0.725179 0.000000 0.000000 O\n0.740871 0.500000 0.000000 O\n0.244649 0.235296 0.500000 O\n0.244649 0.764704 0.500000 O\n0.742700 0.254564 0.500000 O\n0.742700 0.745436 0.500000 O\n0.953008 0.000000 0.500000 O\n0.993756 0.500000 0.500000 O\n0.507970 0.000000 0.500000 O\n0.523477 0.500000 0.500000 O\n-0.005597 0.279654 0.000000 O\n-0.005597 0.720346 -0.000000 O\n0.501516 0.261210 0.000000 O\n0.501516 0.738790 -0.000000 O\n",
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{
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{
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"structure_string": "Li2 V6 Zn4 O16\n1.0\n-4.224628 4.215306 -0.021673\n0.012310 4.205846 4.229823\n8.436247 4.223763 -4.223072\nLi V Zn O\n2 6 4 16\ndirect\n0.377223 0.059105 0.313247 Li\n0.374680 0.562011 0.814255 Li\n0.378844 0.816355 0.562235 V\n0.371809 0.061667 0.810204 V\n0.873223 0.564127 0.810904 V\n0.373958 0.310008 0.066005 V\n0.378735 0.562572 0.312906 V\n0.882056 0.056929 0.314927 V\n0.990068 0.992482 0.001715 Zn\n0.991709 0.497143 0.500763 Zn\n0.751056 0.632760 0.120818 Zn\n0.756019 0.134119 0.620766 Zn\n0.625220 0.412376 0.186272 O\n0.629399 0.928689 0.701581 O\n0.123714 0.706414 0.433155 O\n0.130444 0.200036 0.932368 O\n0.158494 0.429271 0.179119 O\n0.162108 0.941309 0.696564 O\n0.590752 0.693324 0.435921 O\n0.579851 0.190863 0.937146 O\n0.113619 0.930522 0.204002 O\n0.127380 0.420886 0.705410 O\n0.124254 0.157243 0.435837 O\n0.119493 0.652558 0.934071 O\n0.622460 0.971982 0.186220 O\n0.637009 0.466124 0.696008 O\n0.633375 0.192682 0.418593 O\n0.623049 0.706443 0.918988 O\n",
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{
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{
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{
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{
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}