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{
"id": "mp-29736",
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{
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{
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"structure_string": "Ba1 Te1\n1.0\n0.000000 3.544879 3.544879\n3.544879 0.000000 3.544879\n3.544879 3.544879 0.000000\nBa Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Te\n",
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{
"id": "mp-1104827",
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"structure_string": "Pr6 Ga2 Co6\n1.0\n4.150560 0.000000 0.000000\n-2.075280 5.196345 0.000000\n0.000000 0.000000 13.277295\nPr Ga Co\n6 2 6\ndirect\n0.208272 0.416544 0.394482 Pr\n0.791728 0.583456 0.605518 Pr\n0.208272 0.416544 0.105518 Pr\n0.791728 0.583456 0.894482 Pr\n0.494305 0.988609 0.250000 Pr\n0.505695 0.011391 0.750000 Pr\n0.500000 0.000000 0.500000 Ga\n0.500000 0.000000 0.000000 Ga\n0.919656 0.839313 0.407020 Co\n0.080344 0.160687 0.592980 Co\n0.919656 0.839313 0.092980 Co\n0.080344 0.160687 0.907020 Co\n0.800674 0.601347 0.250000 Co\n0.199326 0.398653 0.750000 Co\n",
"nsites": 14,
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"density": 7.761582839720993,
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"volume": 286.36126907718887,
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"formula_full": "Pr6 Ga2 Co6",
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{
"id": "mp-541146",
"created_at": "2022-09-04T14:45:11.871635Z",
"structure_string": "Ge8 C8 Se12 F24\n1.0\n0.000000 8.221507 8.221507\n8.221507 0.000000 8.221507\n8.221507 8.221507 0.000000\nGe C Se F\n8 8 12 24\ndirect\n0.826948 0.826948 0.826948 Ge\n0.730843 0.423052 0.423052 Ge\n0.423052 0.730843 0.423052 Ge\n0.423052 0.423052 0.730843 Ge\n0.826948 0.519157 0.826948 Ge\n0.826948 0.826948 0.519157 Ge\n0.519157 0.826948 0.826948 Ge\n0.423052 0.423052 0.423052 Ge\n0.899132 0.899132 0.899132 C\n0.947396 0.350868 0.350868 C\n0.350868 0.947396 0.350868 C\n0.350868 0.350868 0.947396 C\n0.899132 0.302604 0.899132 C\n0.899132 0.899132 0.302604 C\n0.302604 0.899132 0.899132 C\n0.350868 0.350868 0.350868 C\n0.922654 0.577346 0.922654 Se\n0.672654 0.327346 0.327346 Se\n0.327346 0.672654 0.672654 Se\n0.672654 0.327346 0.672654 Se\n0.327346 0.327346 0.672654 Se\n0.672654 0.672654 0.327346 Se\n0.922654 0.922654 0.577346 Se\n0.577346 0.922654 0.922654 Se\n0.922654 0.577346 0.577346 Se\n0.577346 0.577346 0.922654 Se\n0.327346 0.672654 0.327346 Se\n0.577346 0.922654 0.577346 Se\n0.790468 0.979625 0.979625 F\n0.999718 0.270375 0.459532 F\n0.270375 0.999718 0.270375 F\n0.270375 0.270375 0.999718 F\n0.999718 0.459532 0.270375 F\n0.270375 0.459532 0.999718 F\n0.270375 0.999718 0.459532 F\n0.979625 0.790468 0.979625 F\n0.979625 0.979625 0.790468 F\n0.790468 0.250282 0.979625 F\n0.790468 0.979625 0.250282 F\n0.979625 0.250282 0.979625 F\n0.250282 0.790468 0.979625 F\n0.250282 0.979625 0.790468 F\n0.979625 0.979625 0.250282 F\n0.459532 0.999718 0.270375 F\n0.459532 0.270375 0.999718 F\n0.999718 0.270375 0.270375 F\n0.459532 0.270375 0.270375 F\n0.270375 0.459532 0.270375 F\n0.270375 0.270375 0.459532 F\n0.979625 0.790468 0.250282 F\n0.979625 0.250282 0.790468 F\n0.250282 0.979625 0.979625 F\n",
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"formula_full": "Ge8 C8 Se12 F24",
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{
"id": "mp-680401",
"created_at": "2022-09-04T14:45:08.536912Z",
"structure_string": "U12 Zn102\n1.0\n4.495995 -7.787291 0.000000\n4.495995 7.787291 0.000000\n0.000000 0.000000 26.345724\nU Zn\n12 102\ndirect\n0.333333 0.666667 0.750000 U\n0.333333 0.666667 0.414795 U\n0.666667 0.333333 0.250000 U\n0.333333 0.666667 0.250000 U\n0.000000 0.000000 0.918626 U\n0.000000 0.000000 0.418626 U\n0.000000 0.000000 0.081374 U\n0.666667 0.333333 0.914795 U\n0.666667 0.333333 0.750000 U\n0.666667 0.333333 0.585205 U\n0.333333 0.666667 0.085205 U\n0.000000 0.000000 0.581374 U\n0.829074 0.658148 0.659334 Zn\n0.162313 0.324625 0.492665 Zn\n0.631489 0.964981 0.583487 Zn\n0.666508 0.631489 0.416513 Zn\n0.324625 0.162313 0.992665 Zn\n0.333333 0.666667 0.866904 Zn\n0.170926 0.829074 0.340666 Zn\n0.504750 0.009499 0.674177 Zn\n0.324625 0.162313 0.507335 Zn\n0.495250 0.990501 0.174177 Zn\n0.833377 0.666754 0.333200 Zn\n0.368511 0.333492 0.416513 Zn\n0.000000 0.000000 0.699451 Zn\n0.333492 0.368511 0.916513 Zn\n0.500000 0.500000 0.000000 Zn\n0.658148 0.829074 0.159334 Zn\n0.333492 0.964981 0.583487 Zn\n0.964981 0.631489 0.083487 Zn\n0.829074 0.658148 0.840666 Zn\n0.631489 0.666508 0.916513 Zn\n0.964981 0.333492 0.416513 Zn\n0.666508 0.631489 0.083487 Zn\n0.658148 0.829074 0.340666 Zn\n0.990501 0.495250 0.674177 Zn\n0.162313 0.324625 0.007335 Zn\n0.837687 0.675375 0.992665 Zn\n0.300172 0.004125 0.750000 Zn\n0.995875 0.699828 0.750000 Zn\n0.162313 0.837687 0.492665 Zn\n0.833377 0.666754 0.166800 Zn\n0.333246 0.166623 0.333200 Zn\n0.000000 0.000000 0.800549 Zn\n0.837687 0.162313 0.507335 Zn\n0.495250 0.504750 0.174177 Zn\n0.035019 0.368511 0.583487 Zn\n0.837687 0.162313 0.992665 Zn\n0.504750 0.009499 0.825823 Zn\n0.333333 0.666667 0.967580 Zn\n0.035019 0.368511 0.916513 Zn\n0.333492 0.964981 0.916513 Zn\n0.631489 0.964981 0.916513 Zn\n0.368511 0.035019 0.416513 Zn\n0.166623 0.333246 0.666800 Zn\n0.837687 0.675375 0.507335 Zn\n0.333333 0.666667 0.532420 Zn\n0.666754 0.833377 0.833200 Zn\n0.000000 0.000000 0.300549 Zn\n0.333492 0.368511 0.583487 Zn\n0.296048 0.995875 0.250000 Zn\n0.341852 0.170926 0.659334 Zn\n0.666667 0.333333 0.467580 Zn\n0.666667 0.333333 0.366904 Zn\n0.004125 0.300172 0.250000 Zn\n0.631489 0.666508 0.583487 Zn\n0.666508 0.035019 0.416513 Zn\n0.675375 0.837687 0.007335 Zn\n0.296048 0.300172 0.250000 Zn\n0.500000 0.000000 0.500000 Zn\n0.995875 0.296048 0.750000 Zn\n0.162313 0.837687 0.007335 Zn\n0.829074 0.170926 0.659334 Zn\n0.170926 0.829074 0.159334 Zn\n0.000000 0.500000 0.000000 Zn\n0.166623 0.833377 0.833200 Zn\n0.699828 0.703952 0.250000 Zn\n0.504750 0.495250 0.825823 Zn\n0.964981 0.333492 0.083487 Zn\n0.829074 0.170926 0.840666 Zn\n0.703952 0.699828 0.750000 Zn\n0.166623 0.333246 0.833200 Zn\n0.000000 0.000000 0.199451 Zn\n0.009499 0.504750 0.174177 Zn\n0.675375 0.837687 0.492665 Zn\n0.666508 0.035019 0.083487 Zn\n0.035019 0.666508 0.583487 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.000000 Zn\n0.009499 0.504750 0.325823 Zn\n0.990501 0.495250 0.825823 Zn\n0.964981 0.631489 0.416513 Zn\n0.035019 0.666508 0.916513 Zn\n0.495250 0.990501 0.325823 Zn\n0.495250 0.504750 0.325823 Zn\n0.170926 0.341852 0.159334 Zn\n0.368511 0.333492 0.083487 Zn\n0.300172 0.296048 0.750000 Zn\n0.833377 0.166623 0.333200 Zn\n0.333246 0.166623 0.166800 Zn\n0.333333 0.666667 0.633096 Zn\n0.341852 0.170926 0.840666 Zn\n0.004125 0.703952 0.250000 Zn\n0.170926 0.341852 0.340666 Zn\n0.166623 0.833377 0.666800 Zn\n0.703952 0.004125 0.750000 Zn\n0.833377 0.166623 0.166800 Zn\n0.500000 0.500000 0.500000 Zn\n0.666754 0.833377 0.666800 Zn\n0.368511 0.035019 0.083487 Zn\n0.504750 0.495250 0.674177 Zn\n0.699828 0.995875 0.250000 Zn\n0.666667 0.333333 0.133096 Zn\n0.666667 0.333333 0.032420 Zn\n",
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"formula_full": "U12 Zn102",
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{
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"created_at": "2022-09-04T14:45:09.258559Z",
"structure_string": "Cd4 Br4 O4\n1.0\n7.512552 0.000000 0.000000\n0.000000 5.515130 0.000000\n0.000000 2.768349 6.159925\nCd Br O\n4 4 4\ndirect\n0.871565 0.007032 0.213843 Cd\n0.371565 0.992968 0.286157 Cd\n0.128435 0.992968 0.786157 Cd\n0.628435 0.007032 0.713843 Cd\n0.605909 0.633706 0.188874 Br\n0.105909 0.366294 0.311126 Br\n0.394091 0.366294 0.811126 Br\n0.894091 0.633706 0.688874 Br\n0.638445 0.137994 0.344294 O\n0.138445 0.862006 0.155706 O\n0.361555 0.862006 0.655706 O\n0.861555 0.137994 0.844294 O\n",
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{
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{
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