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{
"id": "mp-1030723",
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"structure_string": "Te2 Mo3 W1 Se2 S4\n1.0\n1.653614 -2.864143 0.000000\n1.653614 2.864143 0.000000\n0.000000 0.000000 37.574663\nTe Mo W Se S\n2 3 1 2 4\ndirect\n0.333333 0.666667 0.708383 Te\n0.333333 0.666667 0.606696 Te\n0.333333 0.666667 0.093905 Mo\n0.333333 0.666667 0.469667 Mo\n0.666667 0.333333 0.657558 Mo\n0.666667 0.333333 0.281803 W\n0.666667 0.333333 0.049263 Se\n0.666667 0.333333 0.138579 Se\n0.333333 0.666667 0.322618 S\n0.666667 0.333333 0.428949 S\n0.666667 0.333333 0.510353 S\n0.333333 0.666667 0.240974 S\n",
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{
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"formula_full": "Mn2 Zn10 B4 O20",
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{
"id": "mp-1202442",
"created_at": "2022-09-04T14:44:31.125754Z",
"structure_string": "Na4 Al4 Si6 O28\n1.0\n0.000000 9.282217 9.650325\n3.365808 0.000000 9.650325\n3.365808 9.282217 0.000000\nNa Al Si O\n4 4 6 28\ndirect\n0.148830 0.428169 0.933874 Na\n0.489127 0.933874 0.428169 Na\n0.821831 0.101170 0.760873 Na\n0.316126 0.760873 0.101170 Na\n0.427453 0.496629 0.760782 Al\n0.315136 0.760782 0.496629 Al\n0.753371 0.822547 0.934864 Al\n0.489218 0.934864 0.822547 Al\n0.752690 0.247310 0.247310 Si\n0.002690 0.497310 0.497310 Si\n0.426208 0.258405 0.991924 Si\n0.323463 0.991924 0.258405 Si\n0.991595 0.823792 0.926537 Si\n0.258076 0.926537 0.823792 Si\n0.659537 0.289688 0.475359 O\n0.575416 0.475359 0.289688 O\n0.960312 0.590463 0.674584 O\n0.774641 0.674584 0.590463 O\n0.467367 0.379048 0.894700 O\n0.258884 0.894700 0.379048 O\n0.870952 0.782633 0.991116 O\n0.355300 0.991116 0.782633 O\n0.187758 0.621647 0.881604 O\n0.308991 0.881604 0.621647 O\n0.628353 0.062242 0.941009 O\n0.368396 0.941009 0.062242 O\n0.421968 0.158677 0.878762 O\n0.540592 0.878762 0.158677 O\n0.091323 0.828032 0.709408 O\n0.371238 0.709408 0.828032 O\n0.182983 0.442979 0.259898 O\n0.114141 0.259898 0.442979 O\n0.807021 0.067017 0.135859 O\n0.990102 0.135859 0.067017 O\n0.036195 0.824043 0.413618 O\n0.726144 0.413618 0.824043 O\n0.425957 0.213805 0.523856 O\n0.836382 0.523856 0.213805 O\n0.584644 0.079696 0.479189 O\n0.856471 0.479189 0.079696 O\n0.170304 0.665356 0.393529 O\n0.770811 0.393529 0.665356 O\n",
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"formula_full": "Na4 Al4 Si6 O28",
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{
"id": "mp-1218757",
"created_at": "2022-09-04T14:44:31.179969Z",
"structure_string": "Sr4 La4 Tl2 Ni4 O18\n1.0\n3.855039 0.017400 0.000060\n0.017393 3.855041 0.000060\n0.000466 0.000470 30.038516\nSr La Tl Ni O\n4 4 2 4 18\ndirect\n0.995635 0.995634 0.416654 Sr\n0.495701 0.495699 0.916513 Sr\n0.495652 0.495654 0.083403 Sr\n0.995680 0.995685 0.583451 Sr\n0.999176 0.999177 0.297904 La\n0.499199 0.499201 0.797809 La\n0.499142 0.499143 0.202100 La\n0.999241 0.999248 0.702147 La\n0.462131 0.462127 0.500045 Tl\n0.962136 0.962136 0.999962 Tl\n0.999091 0.999002 0.854750 Ni\n0.499235 0.499246 0.645236 Ni\n0.498844 0.498866 0.355093 Ni\n0.999113 0.999101 0.144863 Ni\n0.035470 0.035471 0.500019 O\n0.535429 0.535435 0.999972 O\n0.499567 0.499568 0.281213 O\n0.999539 0.999548 0.781108 O\n0.999549 0.999559 0.218909 O\n0.499584 0.499584 0.718791 O\n0.508917 0.508920 0.429927 O\n0.008864 0.008868 0.929871 O\n0.008896 0.008898 0.070064 O\n0.508898 0.508902 0.570136 O\n0.498304 0.999062 0.352882 O\n0.998275 0.499134 0.852670 O\n0.999042 0.498304 0.352882 O\n0.499163 0.998280 0.852669 O\n0.998260 0.499156 0.147181 O\n0.498356 0.999358 0.647299 O\n0.499168 0.998265 0.147180 O\n0.999341 0.498365 0.647296 O\n",
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{
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"structure_string": "Sr2 Li2 Ni2 F12\n1.0\n2.611614 -4.523449 0.000000\n2.611614 4.523449 0.000000\n0.000000 0.000000 10.470123\nSr Li Ni F\n2 2 2 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n0.666667 0.333333 0.250000 Ni\n0.333333 0.666667 0.750000 Ni\n0.377449 0.019865 0.145718 F\n0.622551 0.642417 0.645718 F\n0.357583 0.980135 0.645718 F\n0.019865 0.377449 0.645718 F\n0.980135 0.622551 0.354282 F\n0.980135 0.357583 0.145718 F\n0.642417 0.622551 0.145718 F\n0.642417 0.019865 0.354282 F\n0.019865 0.642417 0.854282 F\n0.377449 0.357583 0.354282 F\n0.622551 0.980135 0.854282 F\n0.357583 0.377449 0.854282 F\n",
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"volume": 247.37765342787807,
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{
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"structure_string": "Ba7 Fe6 Cu1 F34\n1.0\n5.800489 8.605988 0.000000\n-5.800489 8.605988 0.000000\n0.000000 1.577876 7.658659\nBa Fe Cu F\n7 6 1 34\ndirect\n0.440431 0.841194 0.698981 Ba\n0.158806 0.559569 0.301019 Ba\n0.559569 0.158806 0.301019 Ba\n0.841194 0.440431 0.698981 Ba\n0.735638 0.735638 0.125723 Ba\n0.264362 0.264362 0.874277 Ba\n0.000000 0.000000 0.000000 Ba\n0.352876 0.866715 0.199524 Fe\n0.133285 0.647124 0.800476 Fe\n0.647124 0.133285 0.800476 Fe\n0.866715 0.352876 0.199524 Fe\n0.826439 0.826439 0.541050 Fe\n0.173561 0.173561 0.458950 Fe\n0.500000 0.500000 0.500000 Cu\n0.560512 0.560512 0.674143 F\n0.439488 0.439488 0.325857 F\n0.888874 0.888874 0.305816 F\n0.111126 0.111126 0.694184 F\n0.746272 0.746272 0.759367 F\n0.253728 0.253728 0.240633 F\n0.355743 0.119997 0.544450 F\n0.880003 0.644257 0.455550 F\n0.644257 0.880003 0.455550 F\n0.119997 0.355743 0.544450 F\n0.231185 0.985510 0.386002 F\n0.014490 0.768815 0.613998 F\n0.768815 0.014490 0.613998 F\n0.985510 0.231185 0.386002 F\n0.246538 0.513580 0.971489 F\n0.486420 0.753462 0.028511 F\n0.753462 0.486420 0.028511 F\n0.513580 0.246538 0.971489 F\n0.004568 0.263628 0.007114 F\n0.736372 0.995432 0.992886 F\n0.995432 0.736372 0.992886 F\n0.263628 0.004568 0.007114 F\n0.040894 0.515944 0.803275 F\n0.484056 0.959106 0.196725 F\n0.959106 0.484056 0.196725 F\n0.515944 0.040894 0.803275 F\n0.793542 0.206830 0.200946 F\n0.793170 0.206458 0.799054 F\n0.206458 0.793170 0.799054 F\n0.206830 0.793542 0.200946 F\n0.276132 0.554272 0.614380 F\n0.445728 0.723868 0.385620 F\n0.723868 0.445728 0.385620 F\n0.554272 0.276132 0.614380 F\n",
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{
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"structure_string": "Mn12 As4 O32\n1.0\n9.155404 0.000000 0.000000\n0.000000 12.455834 0.000000\n0.000000 0.000000 5.156372\nMn As O\n12 4 32\ndirect\n0.525746 0.117934 0.029785 Mn\n0.025746 0.382066 0.470215 Mn\n0.474254 0.617934 0.970215 Mn\n0.974254 0.882066 0.529785 Mn\n0.474254 0.882066 0.970215 Mn\n0.974254 0.617934 0.529785 Mn\n0.525746 0.382066 0.029785 Mn\n0.025746 0.117934 0.470215 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.650764 0.750000 0.477730 As\n0.150764 0.750000 0.022270 As\n0.349236 0.250000 0.522270 As\n0.849236 0.250000 0.977730 As\n0.630239 0.091350 0.319471 O\n0.130239 0.408650 0.180529 O\n0.369761 0.591350 0.680529 O\n0.869761 0.908650 0.819471 O\n0.369761 0.908650 0.680529 O\n0.869761 0.591350 0.819471 O\n0.630239 0.408650 0.319471 O\n0.130239 0.091350 0.180529 O\n0.412673 0.137652 0.681028 O\n0.912673 0.362348 0.818972 O\n0.587327 0.637652 0.318972 O\n0.087327 0.862348 0.181027 O\n0.587327 0.862348 0.318972 O\n0.087327 0.637652 0.181027 O\n0.412673 0.362348 0.681028 O\n0.912673 0.137652 0.818972 O\n0.395244 0.005221 0.168094 O\n0.895244 0.494779 0.331906 O\n0.604756 0.505221 0.831906 O\n0.104756 0.994779 0.668094 O\n0.604756 0.994779 0.831906 O\n0.104756 0.505221 0.668094 O\n0.395244 0.494779 0.168094 O\n0.895244 0.005221 0.331906 O\n0.590307 0.750000 0.797725 O\n0.090307 0.750000 0.702275 O\n0.409693 0.250000 0.202275 O\n0.909693 0.250000 0.297725 O\n0.659704 0.250000 0.940668 O\n0.159704 0.250000 0.559332 O\n0.340296 0.750000 0.059332 O\n0.840296 0.750000 0.440668 O\n",
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{
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"structure_string": "Li8 Pb3\n1.0\n10.841967 -2.382899 0.000000\n10.841967 2.382899 0.000000\n10.318242 0.000000 4.093940\nLi Pb\n8 3\ndirect\n0.911013 0.911013 0.911013 Li\n0.088987 0.088987 0.088987 Li\n0.820746 0.820746 0.820746 Li\n0.361593 0.361593 0.361593 Li\n0.638407 0.638407 0.638407 Li\n0.272835 0.272835 0.272835 Li\n0.727165 0.727165 0.727165 Li\n0.179254 0.179254 0.179254 Li\n0.547340 0.547340 0.547340 Pb\n0.452660 0.452660 0.452660 Pb\n0.000000 0.000000 0.000000 Pb\n",
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{
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"spacegroup": 218
},
{
"id": "mp-752691",
"created_at": "2022-09-04T14:44:31.259432Z",
"structure_string": "Sr6 Hf4 O14\n1.0\n2.885328 -10.683025 0.000000\n2.885328 10.683025 0.000000\n0.000000 0.000000 5.770960\nSr Hf O\n6 4 14\ndirect\n0.188457 0.811543 0.500000 Sr\n0.811543 0.188457 0.500000 Sr\n0.688457 0.311543 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.311543 0.688457 0.000000 Sr\n0.098537 0.901463 0.000000 Hf\n0.598537 0.401463 0.500000 Hf\n0.901463 0.098537 0.000000 Hf\n0.401463 0.598537 0.500000 Hf\n0.196210 0.803790 0.000000 O\n0.604038 0.798386 0.201238 O\n0.298386 0.104038 0.701238 O\n0.701614 0.895962 0.701238 O\n0.395962 0.201614 0.201238 O\n0.000000 0.000000 0.000000 O\n0.696210 0.303790 0.500000 O\n0.803790 0.196210 0.000000 O\n0.104038 0.298386 0.298762 O\n0.798386 0.604038 0.798762 O\n0.895962 0.701614 0.298762 O\n0.201614 0.395962 0.798762 O\n0.500000 0.500000 0.500000 O\n0.303790 0.696210 0.500000 O\n",
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"formula_full": "Sr6 Hf4 O14",
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{
"id": "mp-772017",
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"structure_string": "Ba6 La4 Cl24\n1.0\n9.309705 0.118761 -0.392725\n-0.865486 10.061613 0.089209\n-4.349099 -5.039868 11.833943\nBa La Cl\n6 4 24\ndirect\n0.220791 0.769740 0.632598 Ba\n0.201758 0.306923 0.207212 Ba\n0.588189 0.212855 0.970536 Ba\n0.411811 0.787145 0.029464 Ba\n0.798242 0.693077 0.792788 Ba\n0.779209 0.230260 0.367402 Ba\n0.005650 0.228912 0.796096 La\n0.366657 0.279529 0.576553 La\n0.633343 0.720471 0.423447 La\n0.994350 0.771088 0.203904 La\n0.132723 0.672538 0.797433 Cl\n0.219470 0.455415 0.986408 Cl\n0.075563 0.236067 0.610707 Cl\n0.225115 0.062770 0.838249 Cl\n0.162755 0.429637 0.465201 Cl\n0.086586 0.851007 0.052999 Cl\n0.243136 0.647790 0.298469 Cl\n0.164832 0.048355 0.365919 Cl\n0.544712 0.881638 0.869740 Cl\n0.469418 0.521194 0.769910 Cl\n0.444754 0.086644 0.681636 Cl\n0.515126 0.700739 0.581648 Cl\n0.484874 0.299261 0.418352 Cl\n0.555246 0.913356 0.318364 Cl\n0.530582 0.478806 0.230090 Cl\n0.455288 0.118362 0.130260 Cl\n0.835168 0.951645 0.634081 Cl\n0.756864 0.352210 0.701531 Cl\n0.913414 0.148993 0.947001 Cl\n0.837245 0.570363 0.534799 Cl\n0.774885 0.937230 0.161751 Cl\n0.924437 0.763933 0.389293 Cl\n0.780530 0.544585 0.013592 Cl\n0.867277 0.327462 0.202567 Cl\n",
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},
{
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"structure_string": "Mn6 O7 F5\n1.0\n3.202427 3.422936 0.000000\n-3.202427 3.422936 0.000000\n0.000000 0.068942 9.227342\nMn O F\n6 7 5\ndirect\n0.003275 0.012790 0.824943 Mn\n0.023611 0.976389 0.500000 Mn\n0.987210 0.996725 0.175057 Mn\n0.494020 0.505980 0.000000 Mn\n0.471023 0.481092 0.674229 Mn\n0.518908 0.528977 0.325771 Mn\n0.818914 0.814874 0.337812 O\n0.286454 0.687787 0.833898 O\n0.320658 0.679342 0.500000 O\n0.312213 0.713546 0.166102 O\n0.674798 0.297572 0.832786 O\n0.702428 0.325202 0.167214 O\n0.185126 0.181086 0.662188 O\n0.782895 0.778118 0.663646 F\n0.808218 0.818338 0.988361 F\n0.706707 0.293293 0.500000 F\n0.221882 0.217105 0.336354 F\n0.181662 0.191782 0.011639 F\n",
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"density": 4.404819877036225,
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}
]
}