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"results": [
{
"id": "mp-694909",
"created_at": "2022-09-04T14:41:46.938460Z",
"structure_string": "Li11 Fe3 B24 Pb2 O48\n1.0\n9.575089 0.000000 0.000000\n-1.788129 9.466232 0.000000\n-1.777991 -2.186882 9.225455\nLi Fe B Pb O\n11 3 24 2 48\ndirect\n0.802378 0.713956 0.112380 Li\n0.613858 0.305034 0.216155 Li\n0.213443 0.610783 0.300043 Li\n0.285604 0.887226 0.194557 Li\n0.885631 0.196393 0.283212 Li\n0.696892 0.785274 0.386604 Li\n0.109603 0.800130 0.714086 Li\n0.718318 0.112189 0.804768 Li\n0.785206 0.389531 0.696838 Li\n0.388990 0.696327 0.787386 Li\n0.193162 0.288314 0.895676 Li\n0.997649 0.998197 0.000763 Fe\n0.502635 0.507964 0.496661 Fe\n0.302280 0.214598 0.612513 Fe\n0.950411 0.297137 0.037351 B\n0.515517 0.766638 0.097557 B\n0.266831 0.597291 0.014996 B\n0.463580 0.549450 0.203519 B\n0.703190 0.962951 0.049933 B\n0.597677 0.014820 0.266178 B\n0.903106 0.484901 0.233809 B\n0.795879 0.535905 0.450148 B\n0.035210 0.951421 0.296634 B\n0.450325 0.798376 0.536695 B\n0.229844 0.898966 0.479934 B\n0.012723 0.267007 0.599068 B\n0.983808 0.732388 0.402210 B\n0.767710 0.096721 0.514748 B\n0.549360 0.199032 0.463297 B\n0.965853 0.047639 0.702841 B\n0.207554 0.469583 0.549740 B\n0.096709 0.515405 0.767697 B\n0.405790 0.982247 0.740175 B\n0.295269 0.035903 0.951015 B\n0.537617 0.453303 0.793332 B\n0.734036 0.402881 0.985475 B\n0.486660 0.228155 0.907794 B\n0.049272 0.702792 0.963363 B\n0.243993 0.251126 0.232423 Pb\n0.756074 0.752494 0.754573 Pb\n0.641056 0.815867 0.031018 O\n0.814212 0.516213 0.108699 O\n0.566284 0.664305 0.190126 O\n0.606124 0.316090 0.016573 O\n0.164396 0.689842 0.066043 O\n0.315281 0.529067 0.139058 O\n0.497325 0.451809 0.285742 O\n0.690298 0.066451 0.164800 O\n0.050004 0.216122 0.002523 O\n0.530129 0.141683 0.317227 O\n0.017610 0.609311 0.314712 O\n0.285032 0.498282 0.450279 O\n0.216005 0.003198 0.049658 O\n0.483179 0.891628 0.185883 O\n0.970155 0.359517 0.184404 O\n0.444105 0.275267 0.503108 O\n0.810758 0.433562 0.335747 O\n0.003230 0.049966 0.216034 O\n0.150262 0.316496 0.539019 O\n0.184143 0.972988 0.363295 O\n0.335914 0.813969 0.434403 O\n0.313869 0.019582 0.610943 O\n0.893143 0.186197 0.483095 O\n0.933736 0.834914 0.309300 O\n0.072498 0.163384 0.687720 O\n0.108987 0.815121 0.517221 O\n0.686323 0.983500 0.391822 O\n0.664273 0.189149 0.567109 O\n0.818954 0.033758 0.641322 O\n0.859397 0.683765 0.469671 O\n0.999850 0.950934 0.784255 O\n0.188290 0.567721 0.663219 O\n0.548224 0.717965 0.502888 O\n0.030256 0.639502 0.815988 O\n0.518477 0.107866 0.815644 O\n0.783858 0.997631 0.950571 O\n0.712618 0.500538 0.546806 O\n0.982821 0.390205 0.685317 O\n0.467501 0.860662 0.684179 O\n0.950284 0.784304 0.996361 O\n0.309502 0.933937 0.835102 O\n0.499662 0.546589 0.711512 O\n0.682082 0.468827 0.859941 O\n0.834699 0.309221 0.934286 O\n0.391310 0.685218 0.982943 O\n0.430236 0.331218 0.801014 O\n0.186054 0.482688 0.890023 O\n0.357946 0.183526 0.967250 O\n",
"nsites": 88,
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"elements": [
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"Fe",
"B",
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],
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"density": 3.3475501186480097,
"density_atomic": 0.10523856412261601,
"volume": 836.1953693844498,
"volume_molar": 5.722370701469718,
"formula_full": "Li11 Fe3 B24 Pb2 O48",
"formula_reduced": "Li11Fe3B24(PbO24)2",
"formula_anonymous": "A2B3C11D24E48",
"energy": -685.6107441600001,
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"updated_at": "2021-11-28T01:35:20.910000Z",
"spacegroup": 1
},
{
"id": "mp-11462",
"created_at": "2022-09-04T14:41:46.951067Z",
"structure_string": "K4 Hg4\n1.0\n6.729686 0.000000 0.000000\n-0.045223 7.114579 0.000000\n-1.494488 -2.325963 6.694472\nK Hg\n4 4\ndirect\n0.317297 0.203586 0.861330 K\n0.682703 0.796414 0.138670 K\n0.760999 0.347139 0.557069 K\n0.239001 0.652861 0.442931 K\n0.139766 0.722882 0.937049 Hg\n0.860234 0.277118 0.062951 Hg\n0.796499 0.895820 0.696011 Hg\n0.203501 0.104180 0.303989 Hg\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Hg-K",
"density": 4.967016325346754,
"density_atomic": 0.024959141917893436,
"volume": 320.5238395741773,
"volume_molar": 24.12799598564193,
"formula_full": "K4 Hg4",
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"updated_at": "2021-11-28T01:35:24.933000Z",
"spacegroup": 2
},
{
"id": "mp-570883",
"created_at": "2022-09-04T14:41:46.953646Z",
"structure_string": "Ca42 Zn72 Ni4\n1.0\n0.000000 10.825695 10.825695\n10.825695 0.000000 10.825695\n10.825695 10.825695 0.000000\nCa Zn Ni\n42 72 4\ndirect\n0.795982 0.068006 0.068006 Ca\n0.390756 0.996864 0.615516 Ca\n0.843545 0.843545 0.469366 Ca\n0.843545 0.469366 0.843545 Ca\n0.996864 0.615516 0.996864 Ca\n0.750000 0.750000 0.750000 Ca\n0.843545 0.843545 0.843545 Ca\n0.181994 0.181994 0.181994 Ca\n0.068006 0.068006 0.068006 Ca\n0.996864 0.390756 0.996864 Ca\n0.253136 0.859244 0.253136 Ca\n0.634484 0.253136 0.253136 Ca\n0.406455 0.780634 0.406455 Ca\n0.615516 0.996864 0.390756 Ca\n0.859244 0.253136 0.634484 Ca\n0.996864 0.996864 0.390756 Ca\n0.181994 0.454018 0.181994 Ca\n0.068006 0.068006 0.795982 Ca\n0.454018 0.181994 0.181994 Ca\n0.253136 0.634484 0.859244 Ca\n0.996864 0.996864 0.615516 Ca\n0.634484 0.253136 0.859244 Ca\n0.859244 0.634484 0.253136 Ca\n0.780634 0.406455 0.406455 Ca\n0.406455 0.406455 0.780634 Ca\n0.406455 0.406455 0.406455 Ca\n0.469366 0.843545 0.843545 Ca\n0.390756 0.996864 0.996864 Ca\n0.390756 0.615516 0.996864 Ca\n0.253136 0.634484 0.253136 Ca\n0.996864 0.615516 0.390756 Ca\n0.181994 0.181994 0.454018 Ca\n0.500000 0.500000 0.500000 Ca\n0.253136 0.253136 0.859244 Ca\n0.996864 0.390756 0.615516 Ca\n0.615516 0.996864 0.996864 Ca\n0.615516 0.390756 0.996864 Ca\n0.253136 0.253136 0.634484 Ca\n0.634484 0.859244 0.253136 Ca\n0.859244 0.253136 0.253136 Ca\n0.068006 0.795982 0.068006 Ca\n0.253136 0.859244 0.634484 Ca\n0.994332 0.398594 0.208479 Zn\n0.851406 0.255668 0.041521 Zn\n0.735825 0.087103 0.735825 Zn\n0.041521 0.851406 0.851406 Zn\n0.735825 0.087103 0.441246 Zn\n0.851406 0.851406 0.255668 Zn\n0.808754 0.162897 0.514175 Zn\n0.994332 0.208479 0.398594 Zn\n0.617322 0.617322 0.966519 Zn\n0.735825 0.735825 0.441246 Zn\n0.041521 0.255668 0.851406 Zn\n0.514175 0.808754 0.514175 Zn\n0.087103 0.735825 0.735825 Zn\n0.451164 0.283481 0.632678 Zn\n0.851406 0.041521 0.255668 Zn\n0.451164 0.632678 0.283481 Zn\n0.087103 0.441246 0.735825 Zn\n0.966519 0.798836 0.617322 Zn\n0.514175 0.162897 0.514175 Zn\n0.632678 0.451164 0.632678 Zn\n0.255668 0.851406 0.851406 Zn\n0.087103 0.735825 0.441246 Zn\n0.208479 0.398594 0.398594 Zn\n0.283481 0.632678 0.632678 Zn\n0.632678 0.632678 0.451164 Zn\n0.735825 0.735825 0.087103 Zn\n0.398594 0.398594 0.994332 Zn\n0.441246 0.735825 0.735825 Zn\n0.632678 0.451164 0.283481 Zn\n0.617322 0.798836 0.966519 Zn\n0.514175 0.514175 0.162897 Zn\n0.966519 0.617322 0.617322 Zn\n0.514175 0.808754 0.162897 Zn\n0.617322 0.798836 0.617322 Zn\n0.041521 0.851406 0.255668 Zn\n0.617322 0.966519 0.617322 Zn\n0.808754 0.514175 0.514175 Zn\n0.514175 0.514175 0.808754 Zn\n0.398594 0.208479 0.994332 Zn\n0.808754 0.514175 0.162897 Zn\n0.398594 0.208479 0.398594 Zn\n0.735825 0.441246 0.735825 Zn\n0.283481 0.632678 0.451164 Zn\n0.617322 0.617322 0.798836 Zn\n0.398594 0.398594 0.208479 Zn\n0.735825 0.441246 0.087103 Zn\n0.162897 0.514175 0.808754 Zn\n0.994332 0.398594 0.398594 Zn\n0.617322 0.966519 0.798836 Zn\n0.255668 0.851406 0.041521 Zn\n0.798836 0.617322 0.966519 Zn\n0.851406 0.255668 0.851406 Zn\n0.208479 0.994332 0.398594 Zn\n0.451164 0.632678 0.632678 Zn\n0.162897 0.808754 0.514175 Zn\n0.514175 0.162897 0.808754 Zn\n0.398594 0.994332 0.208479 Zn\n0.966519 0.617322 0.798836 Zn\n0.283481 0.451164 0.632678 Zn\n0.398594 0.994332 0.398594 Zn\n0.798836 0.617322 0.617322 Zn\n0.441246 0.087103 0.735825 Zn\n0.632678 0.283481 0.451164 Zn\n0.798836 0.966519 0.617322 Zn\n0.632678 0.283481 0.632678 Zn\n0.851406 0.851406 0.041521 Zn\n0.255668 0.041521 0.851406 Zn\n0.851406 0.041521 0.851406 Zn\n0.208479 0.398594 0.994332 Zn\n0.162897 0.514175 0.514175 Zn\n0.632678 0.632678 0.283481 Zn\n0.441246 0.735825 0.087103 Zn\n0.125000 0.625000 0.625000 Ni\n0.625000 0.625000 0.125000 Ni\n0.625000 0.625000 0.625000 Ni\n0.625000 0.125000 0.625000 Ni\n",
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],
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"formula_full": "Ca42 Zn72 Ni4",
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{
"id": "mp-1205878",
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"structure_string": "Li3 Lu3 Ge3\n1.0\n3.492462 -6.049122 0.000000\n3.492462 6.049122 0.000000\n0.000000 0.000000 4.196222\nLi Lu Ge\n3 3 3\ndirect\n0.240003 0.000000 0.500000 Li\n0.000000 0.240003 0.500000 Li\n0.759997 0.759997 0.500000 Li\n0.581725 0.000000 0.000000 Lu\n0.000000 0.581725 0.000000 Lu\n0.418275 0.418275 0.000000 Lu\n0.333333 0.666667 0.500000 Ge\n0.666667 0.333333 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n",
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"formula_full": "Li3 Lu3 Ge3",
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{
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"structure_string": "Mg6 V1 C1 O8\n1.0\n8.565260 0.000000 0.000000\n0.000000 4.250426 0.000000\n0.000000 0.000000 4.250426\nMg V C O\n6 1 1 8\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.247037 0.000000 0.500000 Mg\n0.752963 0.000000 0.500000 Mg\n0.247037 0.500000 0.000000 Mg\n0.752963 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 C\n0.251158 0.000000 0.000000 O\n0.748842 0.000000 0.000000 O\n0.252517 0.500000 0.500000 O\n0.747483 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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],
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{
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"structure_string": "Ca1 Ho1 Pd2\n1.0\n0.000000 3.510207 3.510207\n3.510207 0.000000 3.510207\n3.510207 3.510207 0.000000\nCa Ho Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ho\n0.750000 0.750000 0.750000 Pd\n0.250000 0.250000 0.250000 Pd\n",
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{
"id": "mp-766024",
"created_at": "2022-09-04T14:41:46.931602Z",
"structure_string": "Li4 V4 Si4 O16\n1.0\n7.321350 0.000000 0.000000\n0.000000 7.321350 0.000000\n0.000000 0.000000 7.321350\nLi V Si O\n4 4 4 16\ndirect\n0.247968 0.752032 0.252032 Li\n0.252032 0.247968 0.752032 Li\n0.747968 0.747968 0.747968 Li\n0.752032 0.252032 0.247968 Li\n0.194448 0.694448 0.805552 V\n0.305552 0.305552 0.305552 V\n0.694448 0.805552 0.194448 V\n0.805552 0.194448 0.694448 V\n0.030916 0.030916 0.030916 Si\n0.969084 0.530916 0.469084 Si\n0.469084 0.969084 0.530916 Si\n0.530916 0.469084 0.969084 Si\n0.974210 0.616064 0.678428 O\n0.158043 0.158043 0.158043 O\n0.178428 0.525790 0.383936 O\n0.116064 0.821572 0.025790 O\n0.383936 0.178428 0.525790 O\n0.321572 0.474210 0.883936 O\n0.341957 0.841957 0.658043 O\n0.525790 0.383936 0.178428 O\n0.474210 0.883936 0.321572 O\n0.658043 0.341957 0.841957 O\n0.678428 0.974210 0.616064 O\n0.616064 0.678428 0.974210 O\n0.883936 0.321572 0.474210 O\n0.821572 0.025790 0.116064 O\n0.841957 0.658043 0.341957 O\n0.025790 0.116064 0.821572 O\n",
"nsites": 28,
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],
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