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{
"id": "mp-1245248",
"created_at": "2022-09-04T14:39:19.841352Z",
"structure_string": "Zn50 S50\n1.0\n13.636843 0.397040 -0.121859\n0.335776 13.213290 -1.029398\n-0.148336 -1.075739 13.404467\nZn S\n50 50\ndirect\n0.513787 0.874505 0.283121 Zn\n0.461429 0.644850 0.540355 Zn\n0.358508 0.855102 0.604164 Zn\n0.023695 0.367429 0.231238 Zn\n0.487855 0.169740 0.625400 Zn\n0.889315 0.710099 0.923318 Zn\n0.433822 0.364269 0.135738 Zn\n0.978098 0.745393 0.318254 Zn\n0.023627 0.454784 0.525720 Zn\n0.268285 0.361051 0.898067 Zn\n0.069101 0.047108 0.305294 Zn\n0.116193 0.294596 0.918401 Zn\n0.568183 0.962958 0.532775 Zn\n0.811981 0.159976 0.229376 Zn\n0.949844 0.112147 0.781757 Zn\n0.246157 0.721698 0.532819 Zn\n0.151664 0.000056 0.740097 Zn\n0.684101 0.579837 0.919334 Zn\n0.959562 0.231904 0.093819 Zn\n0.732749 0.278412 0.017100 Zn\n0.932980 0.927673 0.533712 Zn\n0.801607 0.791101 0.335318 Zn\n0.484094 0.724595 0.992465 Zn\n0.379974 0.057818 0.815718 Zn\n0.753701 0.964616 0.967893 Zn\n0.004559 0.206162 0.554395 Zn\n0.726172 0.397005 0.376937 Zn\n0.954116 0.842910 0.147564 Zn\n0.500945 0.628566 0.713220 Zn\n0.710581 0.026051 0.796261 Zn\n0.251924 0.160134 0.132500 Zn\n0.684711 0.715241 0.120100 Zn\n0.935202 0.453561 0.765170 Zn\n0.137695 0.624978 0.256140 Zn\n0.396869 0.482025 0.421903 Zn\n0.828460 0.399424 0.943143 Zn\n0.596433 0.570194 0.228521 Zn\n0.108001 0.710502 0.772720 Zn\n0.637486 0.858737 0.779011 Zn\n0.748354 0.283295 0.699344 Zn\n0.332738 0.420540 0.564139 Zn\n0.167243 0.987269 0.973140 Zn\n0.855421 0.394475 0.133608 Zn\n0.888912 0.714005 0.632229 Zn\n0.225092 0.866983 0.239708 Zn\n0.386182 0.677694 0.376135 Zn\n0.619928 0.332789 0.534855 Zn\n0.540948 0.278197 0.859349 Zn\n0.874833 0.589719 0.335675 Zn\n0.470395 0.119912 0.067168 Zn\n0.299788 0.575340 0.031636 S\n0.917657 0.353092 0.608652 S\n0.107668 0.876832 0.834635 S\n0.752240 0.448859 0.795732 S\n0.596768 0.715277 0.847906 S\n0.123332 0.271625 0.100636 S\n0.532982 0.108731 0.778483 S\n0.829399 0.967776 0.395233 S\n0.816931 0.625348 0.031814 S\n0.563657 0.261952 0.024512 S\n0.107200 0.197611 0.419175 S\n0.156870 0.938137 0.405210 S\n0.524777 0.395092 0.749784 S\n0.597022 0.988026 0.042396 S\n0.572783 0.588306 0.054409 S\n0.104413 0.756782 0.164088 S\n0.998343 0.537778 0.215287 S\n0.393043 0.443364 0.991312 S\n0.085947 0.119388 0.881339 S\n0.628315 0.482919 0.498050 S\n0.166617 0.469580 0.635087 S\n0.990824 0.420891 0.917297 S\n0.542098 0.844666 0.625746 S\n0.017400 0.060932 0.625743 S\n0.396061 0.323051 0.693565 S\n0.795598 0.174058 0.816027 S\n0.334119 0.043602 0.971802 S\n0.753097 0.492857 0.253008 S\n0.216653 0.618528 0.665552 S\n0.394843 0.218627 0.202854 S\n0.072639 0.827653 0.453070 S\n0.905560 0.994065 0.268308 S\n0.423121 0.062286 0.484075 S\n0.548832 0.027520 0.385940 S\n0.232405 0.597667 0.385540 S\n0.296372 0.021110 0.669825 S\n0.330175 0.680000 0.942108 S\n0.460114 0.494851 0.265381 S\n0.945247 0.606074 0.494005 S\n0.655708 0.184605 0.578684 S\n0.563671 0.859633 0.102670 S\n0.952487 0.638832 0.770633 S\n0.821726 0.130592 0.061046 S\n0.169886 0.011532 0.157934 S\n0.096458 0.346718 0.383917 S\n0.644768 0.745302 0.297261 S\n0.899311 0.875593 0.994230 S\n0.820212 0.869783 0.631391 S\n0.376531 0.785235 0.255956 S\n0.795962 0.241346 0.379632 S\n",
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"formula_full": "Zn50 S50",
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"updated_at": "2021-11-28T01:34:24.408000Z",
"spacegroup": 1
},
{
"id": "mp-1233469",
"created_at": "2022-09-04T14:39:19.592587Z",
"structure_string": "Ca1 Y4 Bi4 O12\n1.0\n6.496268 0.307699 0.000003\n0.343804 6.570170 -0.000005\n0.000003 -0.000007 8.386183\nCa Y Bi O\n1 4 4 12\ndirect\n0.485704 0.238492 0.250000 Ca\n0.935743 0.964276 0.750001 Y\n0.627866 0.672726 0.250000 Y\n0.552832 0.487635 0.750000 Y\n0.028682 0.011861 0.249999 Y\n0.004507 0.486010 0.492560 Bi\n0.415241 0.957446 0.569819 Bi\n0.415241 0.957446 0.930181 Bi\n0.004507 0.486010 0.007440 Bi\n0.700154 0.395055 0.417334 O\n0.095377 0.095563 0.539016 O\n0.860554 0.795061 0.089711 O\n0.350911 0.636337 0.943650 O\n0.350912 0.636336 0.556350 O\n0.860553 0.795061 0.410289 O\n0.095376 0.095562 0.960984 O\n0.700154 0.395055 0.082666 O\n0.136463 0.360323 0.250001 O\n0.658023 0.162444 0.750000 O\n0.355714 0.916714 0.250000 O\n0.823816 0.652504 0.750000 O\n",
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{
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"created_at": "2022-09-04T14:39:19.581817Z",
"structure_string": "Ba4 Sr4 Ce4 Zr4 O24\n1.0\n8.603131 0.000000 0.000000\n0.000000 8.611446 0.000000\n0.000000 0.000000 8.619080\nBa Sr Ce Zr O\n4 4 4 4 24\ndirect\n0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.500000 0.500000 -0.000000 Ba\n0.500000 -0.000000 0.500000 Sr\n0.500000 0.000000 -0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n-0.000000 -0.000000 0.500000 Sr\n0.750022 0.752790 0.750451 Ce\n0.249978 0.247210 0.750451 Ce\n0.249978 0.752790 0.249550 Ce\n0.750022 0.247210 0.249550 Ce\n0.249878 0.246903 0.249469 Zr\n0.750122 0.753097 0.249469 Zr\n0.750122 0.246903 0.750531 Zr\n0.249878 0.753097 0.750531 Zr\n0.007639 0.209490 0.286041 O\n0.992361 0.790510 0.286041 O\n0.992361 0.209490 0.713959 O\n0.007639 0.790510 0.713959 O\n0.285444 0.006694 0.208900 O\n0.285444 0.993306 0.791100 O\n0.714556 0.993306 0.208900 O\n0.714556 0.006694 0.791100 O\n0.209915 0.282398 0.007631 O\n0.790085 0.282398 0.992369 O\n0.209915 0.717602 0.992369 O\n0.790085 0.717602 0.007631 O\n0.493388 0.276055 0.222964 O\n0.506612 0.723945 0.222964 O\n0.506612 0.276055 0.777036 O\n0.493388 0.723945 0.777036 O\n0.225416 0.492213 0.277820 O\n0.225416 0.507787 0.722180 O\n0.774584 0.507787 0.277820 O\n0.774584 0.492213 0.722180 O\n0.285433 0.214517 0.492648 O\n0.714567 0.214517 0.507352 O\n0.285433 0.785483 0.507352 O\n0.714567 0.785483 0.492648 O\n",
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"elements": [
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],
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"volume": 638.5479725164178,
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"formula_full": "Ba4 Sr4 Ce4 Zr4 O24",
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"spacegroup": 16
},
{
"id": "mp-1520451",
"created_at": "2022-09-04T14:39:27.470537Z",
"structure_string": "K2 Ce2 Nb2 Sn2 O12\n1.0\n6.026112 0.000000 0.000000\n0.000000 6.026112 0.000000\n0.000000 0.000000 8.491385\nK Ce Nb Sn O\n2 2 2 2 12\ndirect\n0.000000 0.000000 0.250000 K\n0.000000 0.000000 0.750000 K\n0.000000 0.500000 0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.000000 0.500000 0.500000 Nb\n0.500000 0.000000 0.000000 Nb\n0.500000 0.500000 0.750000 Sn\n0.500000 0.500000 0.250000 Sn\n0.000000 0.500000 0.737194 O\n0.500000 0.000000 0.762806 O\n0.245264 0.728991 0.500000 O\n0.754736 0.271009 0.500000 O\n0.271009 0.754736 0.000000 O\n0.728991 0.245264 0.000000 O\n0.245264 0.271009 0.500000 O\n0.271009 0.245264 0.000000 O\n0.754736 0.728991 0.500000 O\n0.728991 0.754736 0.000000 O\n0.000000 0.500000 0.262806 O\n0.500000 0.000000 0.237194 O\n",
"nsites": 20,
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"elements": [
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"density": 5.243253925990714,
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"formula_full": "K2 Ce2 Nb2 Sn2 O12",
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},
{
"id": "mp-971662",
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"structure_string": "Si46\n1.0\n10.227360 0.000000 0.000000\n0.000000 10.227360 0.000000\n0.000000 0.000000 10.227360\nSi\n46\ndirect\n0.000000 0.882820 0.307890 Si\n0.000000 0.117180 0.692110 Si\n0.000000 0.117180 0.307890 Si\n0.000000 0.882820 0.692110 Si\n0.307890 0.000000 0.882820 Si\n0.382820 0.500000 0.192110 Si\n0.692110 0.000000 0.117180 Si\n0.617180 0.500000 0.807890 Si\n0.307890 0.000000 0.117180 Si\n0.617180 0.500000 0.192110 Si\n0.692110 0.000000 0.882820 Si\n0.382820 0.500000 0.807890 Si\n0.882820 0.307890 0.000000 Si\n0.500000 0.807890 0.617180 Si\n0.117180 0.692110 0.000000 Si\n0.500000 0.192110 0.382820 Si\n0.882820 0.692110 0.000000 Si\n0.500000 0.192110 0.617180 Si\n0.117180 0.307890 0.000000 Si\n0.500000 0.807890 0.382820 Si\n0.192110 0.382820 0.500000 Si\n0.807890 0.617180 0.500000 Si\n0.192110 0.617180 0.500000 Si\n0.807890 0.382820 0.500000 Si\n0.250000 0.500000 0.000000 Si\n0.750000 0.500000 0.000000 Si\n0.000000 0.250000 0.500000 Si\n0.000000 0.750000 0.500000 Si\n0.500000 0.000000 0.250000 Si\n0.500000 0.000000 0.750000 Si\n0.816380 0.816380 0.816380 Si\n0.183620 0.183620 0.183620 Si\n0.183620 0.183620 0.816380 Si\n0.183620 0.816380 0.183620 Si\n0.316380 0.316380 0.683620 Si\n0.816380 0.816380 0.183620 Si\n0.816380 0.183620 0.816380 Si\n0.683620 0.683620 0.316380 Si\n0.816380 0.183620 0.183620 Si\n0.683620 0.683620 0.683620 Si\n0.183620 0.816380 0.816380 Si\n0.316380 0.316380 0.316380 Si\n0.316380 0.683620 0.316380 Si\n0.683620 0.316380 0.683620 Si\n0.683620 0.316380 0.316380 Si\n0.316380 0.683620 0.683620 Si\n",
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},
{
"id": "mp-1233344",
"created_at": "2022-09-04T14:39:20.097889Z",
"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n5.619459 0.612353 -1.092544\n-0.803706 7.745303 -2.621703\n0.008816 -0.302672 9.374442\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.168821 0.775387 0.051526 Sr\n0.831871 0.201075 0.994270 Sr\n0.205655 0.371846 0.841140 Mg\n0.844537 0.425207 0.428492 Zn\n0.025622 0.686276 0.437821 Zn\n0.592737 0.816303 0.556264 Sn\n0.421099 0.178315 0.452902 Sn\n0.364380 0.429380 0.225618 P\n0.654703 0.555929 0.762574 P\n0.775031 0.969957 0.260428 P\n0.211826 0.027298 0.774291 P\n0.900281 0.522409 0.850053 O\n0.624111 0.389248 0.207050 O\n0.653224 0.743238 0.758540 O\n0.004877 0.152846 0.748327 O\n0.450472 0.530508 0.839404 O\n0.230999 0.873560 0.619540 O\n0.783851 0.157759 0.391343 O\n0.168516 0.962929 0.901157 O\n0.258661 0.284342 0.267067 O\n0.829986 0.983219 0.111499 O\n0.208241 0.441120 0.074788 O\n0.350762 0.609172 0.359747 O\n0.617049 0.429633 0.589015 O\n0.517844 0.910819 0.245621 O\n0.963075 0.844734 0.306671 O\n0.437007 0.144158 0.819854 O\n",
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{
"id": "mp-757248",
"created_at": "2022-09-04T14:39:27.314523Z",
"structure_string": "Li8 Fe4 P4 O20\n1.0\n4.519192 0.000000 0.000000\n0.000000 9.074586 0.000000\n0.000000 0.000000 9.187278\nLi Fe P O\n8 4 4 20\ndirect\n0.586820 0.000000 0.001255 Li\n0.413180 0.000000 0.501255 Li\n0.007029 0.253694 0.001707 Li\n0.992971 0.253694 0.501707 Li\n0.006549 0.500000 0.260122 Li\n0.993451 0.500000 0.760122 Li\n0.007029 0.746306 0.001707 Li\n0.992971 0.746306 0.501707 Li\n0.966793 0.000000 0.284339 Fe\n0.033207 0.000000 0.784339 Fe\n0.447489 0.500000 0.997098 Fe\n0.552511 0.500000 0.497098 Fe\n0.502174 0.248532 0.247879 P\n0.497826 0.248532 0.747879 P\n0.502174 0.751468 0.247879 P\n0.497826 0.751468 0.747879 P\n0.831758 0.000000 0.469376 O\n0.168242 0.000000 0.969376 O\n0.721601 0.150356 0.160819 O\n0.278399 0.150356 0.660819 O\n0.283481 0.154691 0.338520 O\n0.716519 0.154691 0.838520 O\n0.311734 0.345734 0.145034 O\n0.688266 0.345734 0.645034 O\n0.694428 0.347547 0.348043 O\n0.305572 0.347547 0.848043 O\n0.153030 0.500000 0.492868 O\n0.846970 0.500000 0.992868 O\n0.305572 0.652453 0.848043 O\n0.694428 0.652453 0.348043 O\n0.311734 0.654266 0.145034 O\n0.688266 0.654266 0.645034 O\n0.283481 0.845309 0.338520 O\n0.716519 0.845309 0.838520 O\n0.278399 0.849644 0.660819 O\n0.721601 0.849644 0.160819 O\n",
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"elements": [
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"formula_full": "Li8 Fe4 P4 O20",
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