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{
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"results": [
{
"id": "mp-1221645",
"created_at": "2022-09-04T14:48:05.767587Z",
"structure_string": "Mn4 Cd4 O8\n1.0\n4.640587 2.320294 2.320294\n4.643778 -2.323484 -2.323483\n0.000000 4.640587 -4.640587\nMn Cd O\n4 4 8\ndirect\n0.000000 0.500000 0.750000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.250000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.250000 Cd\n0.500000 0.000000 0.750000 Cd\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.243126 0.270622 0.500000 O\n0.243126 0.270622 0.000000 O\n0.743126 0.270622 0.250000 O\n0.743126 0.270622 0.750000 O\n0.756874 0.729378 0.500000 O\n0.756874 0.729378 0.000000 O\n0.256874 0.729378 0.250000 O\n0.256874 0.729378 0.750000 O\n",
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"elements": [
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],
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"density": 6.617961079885182,
"density_atomic": 0.07996934841416112,
"volume": 200.07665833584173,
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"formula_full": "Mn4 Cd4 O8",
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"updated_at": "2021-11-28T01:38:28.322000Z",
"spacegroup": 166
},
{
"id": "mp-1234112",
"created_at": "2022-09-04T14:47:11.366307Z",
"structure_string": "K4 Mg1 Zn4 H16 Br12 O8\n1.0\n5.825161 -0.237601 -4.714391\n-0.490954 12.875429 0.145056\n-0.679653 0.119608 13.322541\nK Mg Zn H Br O\n4 1 4 16 12 8\ndirect\n0.413195 0.806268 0.029931 K\n0.739679 0.343489 0.502647 K\n0.635608 0.178458 0.977704 K\n0.308421 0.681247 0.512053 K\n0.823769 0.996221 0.834916 Mg\n0.351067 0.974211 0.677088 Zn\n0.527087 0.427525 0.760443 Zn\n0.501073 0.080325 0.270952 Zn\n0.478886 0.565992 0.246236 Zn\n0.789792 0.261263 0.807370 H\n0.210865 0.763643 0.696084 H\n0.217717 0.718786 0.204748 H\n0.784002 0.241882 0.284147 H\n0.947430 0.340435 0.935777 H\n0.995752 0.813610 0.561752 H\n0.062894 0.647229 0.066777 H\n0.922373 0.184148 0.426681 H\n0.886878 0.140233 0.707862 H\n0.095847 0.652309 0.775790 H\n0.117997 0.849201 0.247130 H\n0.952870 0.350125 0.224806 H\n0.613263 0.122764 0.635695 H\n0.338705 0.611571 0.836231 H\n0.393701 0.841375 0.346218 H\n0.693518 0.379162 0.149126 H\n0.298716 0.394612 0.525727 Br\n0.826778 0.934519 0.026821 Br\n0.700260 0.599464 0.481707 Br\n0.269155 0.095921 0.026257 Br\n0.311796 0.410618 0.835947 Br\n0.886028 0.856877 0.737332 Br\n0.733259 0.596363 0.196639 Br\n0.323294 0.126194 0.357885 Br\n0.102123 0.142125 0.655578 Br\n0.758194 0.592367 0.835076 Br\n0.686518 0.917444 0.333565 Br\n0.263417 0.395676 0.171391 Br\n0.168117 0.805246 0.619367 O\n0.782469 0.310773 0.860221 O\n0.763776 0.200608 0.341112 O\n0.226398 0.675407 0.145914 O\n0.260007 0.676226 0.818008 O\n0.774543 0.135964 0.725686 O\n0.791520 0.319199 0.180536 O\n0.243467 0.801260 0.310128 O\n",
"nsites": 45,
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"elements": [
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],
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"density_atomic": 0.04704159816979466,
"volume": 956.6001528599093,
"volume_molar": 12.801735047910865,
"formula_full": "K4 Mg1 Zn4 H16 Br12 O8",
"formula_reduced": "K4MgZn4H16(Br3O2)4",
"formula_anonymous": "AB4C4D8E12F16",
"energy": -186.05284494,
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"spacegroup": 1
},
{
"id": "mp-1019572",
"created_at": "2022-09-04T14:47:15.571737Z",
"structure_string": "Ca4 Al8 Si4 O24\n1.0\n5.333827 0.000000 0.000000\n0.103594 8.742462 0.000000\n2.573694 0.036284 9.357597\nCa Al Si O\n4 8 4 24\ndirect\n0.238411 0.689086 0.004315 Ca\n0.751718 0.188070 0.488940 Ca\n0.747936 0.311331 0.003876 Ca\n0.262931 0.812089 0.484524 Ca\n0.920622 0.905128 0.289088 Al\n0.076825 0.403609 0.214873 Al\n0.416435 0.100088 0.288392 Al\n0.924681 0.597388 0.786689 Al\n0.246851 0.090646 0.002170 Al\n0.776956 0.591430 0.492842 Al\n0.750062 0.908279 0.004886 Al\n0.248196 0.407595 0.501506 Al\n0.424164 0.402312 0.789518 Si\n0.568492 0.901601 0.714171 Si\n0.065372 0.093315 0.713623 Si\n0.578125 0.597744 0.211426 Si\n0.019950 0.922982 0.098321 O\n0.964422 0.727720 0.364114 O\n0.608833 0.977420 0.364212 O\n0.509300 0.419029 0.611933 O\n0.448534 0.232407 0.856700 O\n0.131750 0.474050 0.856993 O\n0.479716 0.913081 0.889469 O\n0.576390 0.739892 0.633302 O\n0.853815 0.987477 0.655185 O\n0.976367 0.414666 0.403001 O\n0.062763 0.235731 0.123075 O\n0.382967 0.489859 0.148148 O\n0.983738 0.086965 0.888198 O\n0.062431 0.255342 0.634283 O\n0.353376 0.006923 0.654019 O\n0.500880 0.587029 0.389430 O\n0.554487 0.765350 0.139908 O\n0.868617 0.525005 0.143294 O\n0.520244 0.077007 0.095984 O\n0.448393 0.276347 0.368111 O\n0.107475 0.027422 0.364786 O\n0.032966 0.578033 0.599272 O\n0.937850 0.768835 0.873769 O\n0.616959 0.511716 0.853656 O\n",
"nsites": 40,
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"elements": [
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"Si",
"O"
],
"chemical_system": "Al-Ca-O-Si",
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"density_atomic": 0.09166910156615891,
"volume": 436.3520457450041,
"volume_molar": 6.569433600975934,
"formula_full": "Ca4 Al8 Si4 O24",
"formula_reduced": "CaAl2SiO6",
"formula_anonymous": "ABC2D6",
"energy": -314.89348121,
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"updated_at": "2021-11-28T01:38:01.998000Z",
"spacegroup": 1
},
{
"id": "mp-25457",
"created_at": "2022-09-04T14:39:07.472204Z",
"structure_string": "Li8 Fe4 P4 C4 O28\n1.0\n5.092034 -0.000030 0.143230\n0.314691 6.401654 8.547636\n0.314769 -6.401523 8.547535\nLi Fe P C O\n8 4 4 4 28\ndirect\n0.785143 0.400238 0.387664 Li\n0.785145 0.900238 0.887664 Li\n0.214858 0.599763 0.612335 Li\n0.214856 0.099763 0.112335 Li\n0.214851 0.362335 0.849765 Li\n0.214849 0.862336 0.349765 Li\n0.785151 0.637666 0.150234 Li\n0.785153 0.137664 0.650234 Li\n0.786071 0.051643 0.301524 Fe\n0.213931 0.948357 0.698476 Fe\n0.786257 0.551741 0.801414 Fe\n0.213707 0.448264 0.198604 Fe\n0.727364 0.337154 0.087115 P\n0.727389 0.837145 0.587125 P\n0.272634 0.662845 0.912884 P\n0.272612 0.162854 0.412874 P\n0.742878 0.404896 0.654899 C\n0.742899 0.904894 0.154895 C\n0.257125 0.595104 0.345101 C\n0.257103 0.095105 0.845105 C\n0.973860 0.434917 0.684920 O\n0.973859 0.934912 0.184915 O\n0.026141 0.565082 0.315079 O\n0.026142 0.065087 0.815084 O\n0.457883 0.541976 0.291978 O\n0.457903 0.041979 0.791982 O\n0.542119 0.458022 0.708023 O\n0.542099 0.958020 0.208018 O\n0.169072 0.579019 0.829011 O\n0.169076 0.079023 0.329011 O\n0.830930 0.420980 0.170989 O\n0.830926 0.920977 0.670989 O\n0.420620 0.347324 0.097341 O\n0.420627 0.847307 0.597330 O\n0.579380 0.652676 0.902659 O\n0.579374 0.152693 0.402669 O\n0.713886 0.832033 0.082034 O\n0.713894 0.332034 0.582033 O\n0.286115 0.167965 0.917966 O\n0.286106 0.667965 0.417967 O\n0.171984 0.805986 0.863024 O\n0.171990 0.305987 0.363023 O\n0.171887 0.613040 0.055982 O\n0.171891 0.113050 0.555976 O\n0.828114 0.386960 0.944018 O\n0.828109 0.886950 0.444023 O\n0.828017 0.194013 0.136975 O\n0.828011 0.694012 0.636976 O\n",
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"P",
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"density": 2.6811661902134105,
"density_atomic": 0.08622610623415237,
"volume": 556.67595460768,
"volume_molar": 6.984126992405874,
"formula_full": "Li8 Fe4 P4 C4 O28",
"formula_reduced": "Li2FePCO7",
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"updated_at": "2021-11-28T01:34:39.948000Z",
"spacegroup": 11
},
{
"id": "mp-696129",
"created_at": "2022-09-04T14:47:07.867156Z",
"structure_string": "Li20 Si2 P4 S24\n1.0\n8.770902 0.000000 0.000000\n0.000000 8.770902 0.000000\n0.000000 0.000000 12.618974\nLi Si P S\n20 2 4 24\ndirect\n0.230944 0.273468 0.295039 Li\n0.769056 0.726532 0.295039 Li\n0.273468 0.769056 0.795039 Li\n0.726532 0.230944 0.795039 Li\n0.230944 0.726532 0.295039 Li\n0.769056 0.273468 0.295039 Li\n0.273468 0.230944 0.795039 Li\n0.726532 0.769056 0.795039 Li\n0.000000 0.000000 0.939476 Li\n0.000000 0.000000 0.439476 Li\n0.500000 0.500000 0.548136 Li\n0.500000 0.500000 0.048136 Li\n0.257151 0.724935 0.036308 Li\n0.742849 0.275065 0.036308 Li\n0.275065 0.257151 0.536308 Li\n0.724935 0.742849 0.536308 Li\n0.275065 0.742849 0.536308 Li\n0.724935 0.257151 0.536308 Li\n0.257151 0.275065 0.036308 Li\n0.742849 0.724935 0.036308 Li\n0.500000 0.500000 0.801233 Si\n0.500000 0.500000 0.301233 Si\n0.000000 0.000000 0.685899 P\n0.000000 0.000000 0.185899 P\n0.000000 0.500000 0.503642 P\n0.500000 0.000000 0.003642 P\n0.000000 0.694721 0.411277 S\n0.000000 0.305279 0.411277 S\n0.305279 0.000000 0.911277 S\n0.694721 0.000000 0.911277 S\n0.500000 0.190299 0.097156 S\n0.500000 0.809701 0.097156 S\n0.190299 0.500000 0.597156 S\n0.809701 0.500000 0.597156 S\n0.000000 0.803955 0.093959 S\n0.000000 0.196045 0.093959 S\n0.196045 0.000000 0.593959 S\n0.803955 0.000000 0.593959 S\n0.500000 0.298548 0.399741 S\n0.500000 0.701452 0.399741 S\n0.298548 0.500000 0.899741 S\n0.701452 0.500000 0.899741 S\n0.000000 0.192650 0.777359 S\n0.000000 0.807350 0.777359 S\n0.807350 0.000000 0.277359 S\n0.192650 0.000000 0.277359 S\n0.500000 0.698863 0.702227 S\n0.500000 0.301137 0.702227 S\n0.698863 0.500000 0.202227 S\n0.301137 0.500000 0.202227 S\n",
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"volume": 970.7615414286195,
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"formula_full": "Li20 Si2 P4 S24",
"formula_reduced": "Li10Si(PS6)2",
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"updated_at": "2021-11-28T01:37:56.015000Z",
"spacegroup": 105
},
{
"id": "mp-560767",
"created_at": "2022-09-04T14:47:36.262049Z",
"structure_string": "K2 Na2 Ti2 O6\n1.0\n5.559344 2.923375 0.000000\n-5.559344 2.923375 0.000000\n0.000000 0.711922 5.466394\nK Na Ti O\n2 2 2 6\ndirect\n0.737121 0.262879 0.250000 K\n0.262879 0.737121 0.750000 K\n0.422416 0.577584 0.250000 Na\n0.577584 0.422416 0.750000 Na\n0.947071 0.052929 0.750000 Ti\n0.052929 0.947071 0.250000 Ti\n0.761604 0.810615 0.495373 O\n0.810615 0.761604 0.995373 O\n0.189385 0.238396 0.004627 O\n0.238396 0.189385 0.504627 O\n0.213231 0.786769 0.250000 O\n0.786769 0.213231 0.750000 O\n",
"nsites": 12,
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"elements": [
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],
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"volume": 177.68018732515765,
"volume_molar": 8.916792486127227,
"formula_full": "K2 Na2 Ti2 O6",
"formula_reduced": "KNaTiO3",
"formula_anonymous": "ABCD3",
"energy": -83.86141952,
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"spacegroup": 15
},
{
"id": "mp-755986",
"created_at": "2022-09-04T14:47:16.052860Z",
"structure_string": "Li4 Nb2 Cr6 O16\n1.0\n3.014795 -5.221781 -0.000038\n6.051922 0.012894 0.012520\n-3.009276 -1.737334 9.812706\nLi Nb Cr O\n4 2 6 16\ndirect\n0.307135 0.385724 0.564563 Li\n0.807125 0.385748 0.064591 Li\n0.192786 0.614424 0.935719 Li\n0.692796 0.614402 0.435698 Li\n0.750353 0.499285 0.749621 Nb\n0.250373 0.499253 0.249596 Nb\n0.750173 0.999893 0.750665 Cr\n0.249916 0.999914 0.750679 Cr\n0.000116 0.999747 0.499281 Cr\n0.250139 0.999950 0.250721 Cr\n0.749922 0.999947 0.250713 Cr\n0.500203 0.999621 0.999228 Cr\n0.101454 0.797034 0.632650 O\n0.601482 0.797036 0.132630 O\n0.396719 0.206558 0.867030 O\n0.896723 0.206554 0.367030 O\n0.878319 0.243357 0.858566 O\n0.378325 0.243351 0.358544 O\n0.652860 0.242394 0.631420 O\n0.152751 0.242457 0.131487 O\n0.104748 0.242428 0.631465 O\n0.604792 0.242459 0.131488 O\n0.395039 0.755999 0.868118 O\n0.895063 0.755993 0.368094 O\n0.848960 0.756005 0.868126 O\n0.348961 0.756008 0.368130 O\n0.621384 0.757226 0.642076 O\n0.121383 0.757233 0.142073 O\n",
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"volume": 310.7434411855248,
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"formula_full": "Li4 Nb2 Cr6 O16",
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},
{
"id": "mp-725922",
"created_at": "2022-09-04T14:47:24.209653Z",
"structure_string": "Cd2 C4 N8 O8\n1.0\n6.852880 0.000000 0.000000\n0.000000 8.101587 0.000000\n0.000000 0.000000 11.060562\nCd C N O\n2 4 8 8\ndirect\n0.000000 0.082148 0.000000 Cd\n0.500000 0.917852 0.500000 Cd\n0.270640 0.194878 0.682537 C\n0.729360 0.194878 0.317463 C\n0.770640 0.805122 0.817463 C\n0.229360 0.805122 0.182537 C\n0.836512 0.401350 0.747121 N\n0.163488 0.401350 0.252879 N\n0.336512 0.598650 0.752879 N\n0.663488 0.598650 0.247121 N\n0.754123 0.320496 0.810641 N\n0.245877 0.320496 0.189359 N\n0.254123 0.679504 0.689359 N\n0.745877 0.679504 0.310641 N\n0.323105 0.133720 0.773476 O\n0.676895 0.133720 0.226524 O\n0.823105 0.866280 0.726524 O\n0.176895 0.866280 0.273476 O\n0.217564 0.259799 0.593305 O\n0.782436 0.259799 0.406695 O\n0.717564 0.740201 0.906695 O\n0.282436 0.740201 0.093305 O\n",
"nsites": 22,
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"elements": [
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],
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"formula_full": "Cd2 C4 N8 O8",
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