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{
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{
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{
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"structure_string": "K6 Mo4 Br2 O14\n1.0\n2.989044 -5.177177 0.000000\n2.989044 5.177177 -0.000000\n0.000000 0.000000 15.688623\nK Mo Br O\n6 4 2 14\ndirect\n0.666666 0.333332 0.458012 K\n0.333332 0.666666 0.541988 K\n0.333332 0.666666 0.958012 K\n0.666666 0.333332 0.750000 K\n0.666666 0.333332 0.041988 K\n0.333332 0.666666 0.250000 K\n0.000000 0.000000 0.870208 Mo\n0.000000 0.000000 0.629791 Mo\n0.000000 0.000000 0.370208 Mo\n0.000000 0.000000 0.129791 Mo\n0.666666 0.333332 0.250000 Br\n0.333332 0.666666 0.750000 Br\n0.316633 0.158317 0.908914 O\n0.841682 0.683366 0.591086 O\n0.158317 0.316633 0.091086 O\n0.000000 0.000000 0.750000 O\n0.683366 0.841682 0.091086 O\n0.683366 0.841682 0.408914 O\n0.841682 0.158316 0.591086 O\n0.158316 0.841682 0.091086 O\n0.158317 0.316633 0.408914 O\n0.841682 0.683366 0.908914 O\n0.158316 0.841682 0.408914 O\n0.000000 0.000000 0.250000 O\n0.316633 0.158317 0.591086 O\n0.841682 0.158316 0.908914 O\n",
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"structure_string": "Y6 Cu2 Si2 S14\n1.0\n4.944222 -8.563643 -0.000000\n4.944222 8.563643 0.000000\n0.000000 -0.000000 5.685983\nY Cu Si S\n6 2 2 14\ndirect\n0.770874 0.128387 0.743308 Y\n0.229126 0.871612 0.243308 Y\n0.357513 0.229126 0.743308 Y\n0.128387 0.357513 0.243308 Y\n0.642487 0.770874 0.243308 Y\n0.871612 0.642487 0.743308 Y\n0.000000 0.000000 0.703917 Cu\n0.000000 0.000000 0.203917 Cu\n0.333333 0.666667 0.830201 Si\n0.666667 0.333333 0.330201 Si\n0.835167 0.094222 0.219348 S\n0.477443 0.894322 0.980720 S\n0.333333 0.666667 0.458854 S\n0.164833 0.905777 0.719347 S\n0.740945 0.835167 0.719347 S\n0.416879 0.522557 0.980720 S\n0.894322 0.416879 0.480720 S\n0.583121 0.477443 0.480720 S\n0.259054 0.164833 0.219348 S\n0.666667 0.333333 0.958854 S\n0.522557 0.105678 0.480720 S\n0.094222 0.259054 0.719347 S\n0.105678 0.583121 0.980720 S\n0.905777 0.740945 0.219348 S\n",
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{
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"created_at": "2022-09-04T14:38:33.296909Z",
"updated_at": "2022-09-04T14:38:33.296943Z",
"structure_string": "K2 Li2 S2 O8\n1.0\n2.557119 -4.429061 -0.000000\n2.557119 4.429061 -0.000000\n0.000000 -0.000000 8.700986\nK Li S O\n2 2 2 8\ndirect\n0.000000 0.000000 0.819503 K\n0.000000 0.000000 0.319503 K\n0.333333 0.666667 0.506163 Li\n0.666667 0.333333 0.006162 Li\n0.333333 0.666667 0.116991 S\n0.666667 0.333333 0.616991 S\n0.943288 0.605790 0.561774 O\n0.605790 0.943288 0.061774 O\n0.662502 0.056713 0.561774 O\n0.394210 0.337498 0.561774 O\n0.333333 0.666667 0.287522 O\n0.666667 0.333333 0.787522 O\n0.337498 0.394210 0.061774 O\n0.056713 0.662502 0.061774 O\n",
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{
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"structure_string": "Sr2 Co1 Re1 O6\n1.0\n4.819796 -0.000001 -2.762964\n-1.583879 4.552116 -2.762965\n0.018556 0.026105 5.617749\nSr Co Re O\n2 1 1 6\ndirect\n0.250000 0.750000 0.500000 Sr\n0.750001 0.250000 0.500001 Sr\n0.000000 0.000000 0.000000 Co\n0.500000 0.500001 0.000000 Re\n0.702050 0.783129 0.000001 O\n0.216872 0.702050 -0.000000 O\n0.783129 0.297951 0.000001 O\n0.297951 0.216872 0.000000 O\n0.258352 0.258351 0.516703 O\n0.741649 0.741649 0.483298 O\n",
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{
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"structure_string": "Ca10 W2 N8 O4\n1.0\n0.000000 6.106241 0.020448\n6.745988 0.000000 0.000000\n0.000000 -0.149402 -8.459461\nCa W N O\n10 2 8 4\ndirect\n0.267456 0.490560 0.665018 Ca\n0.497555 0.750000 0.982995 Ca\n0.732545 0.509440 0.334982 Ca\n0.502445 0.250000 0.017005 Ca\n0.000000 0.500000 0.000000 Ca\n0.806179 0.750000 0.671145 Ca\n0.000000 0.000000 0.000000 Ca\n0.267456 0.009440 0.665018 Ca\n0.732545 0.990560 0.334982 Ca\n0.193821 0.250000 0.328854 Ca\n0.718003 0.250000 0.677121 W\n0.281997 0.750000 0.322879 W\n0.335177 0.975322 0.190373 N\n0.028808 0.750000 0.446893 N\n0.664823 0.475322 0.809627 N\n0.971192 0.250000 0.553107 N\n0.335177 0.524678 0.190373 N\n0.664823 0.024678 0.809627 N\n0.494118 0.250000 0.523170 N\n0.505882 0.750000 0.476830 N\n0.807958 0.750000 0.128723 O\n0.151858 0.750000 0.829241 O\n0.192042 0.250000 0.871277 O\n0.848142 0.250000 0.170759 O\n",
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"updated_at": "2022-09-04T14:38:33.381177Z",
"structure_string": "Cr2 Ag6 Cl2 O8\n1.0\n5.305908 0.000000 0.000000\n0.000000 7.364233 0.000000\n0.000000 0.000000 7.364171\nCr Ag Cl O\n2 6 2 8\ndirect\n0.999978 0.000000 0.000000 Cr\n0.000022 0.500000 0.500000 Cr\n0.109104 0.500000 0.000000 Ag\n0.500000 0.750000 0.250000 Ag\n0.500000 0.250000 0.250000 Ag\n0.890897 0.000000 0.500000 Ag\n0.500000 0.250000 0.750000 Ag\n0.500000 0.750000 0.750000 Ag\n0.635679 0.500000 0.000000 Cl\n0.364321 0.000000 0.500000 Cl\n0.189489 0.816958 0.000000 O\n0.189548 0.500000 0.683037 O\n0.189489 0.183041 0.000000 O\n0.189548 0.500000 0.316963 O\n0.810453 0.000000 0.183037 O\n0.810511 0.683041 0.500000 O\n0.810511 0.316959 0.500000 O\n0.810453 0.000000 0.816963 O\n",
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"structure_string": "K2 Ni2 As2 O8\n1.0\n4.859726 -0.000883 8.767925\n2.266687 4.298728 8.767925\n-0.001464 -0.000883 10.024642\nK Ni As O\n2 2 2 8\ndirect\n0.711246 0.711247 0.711242 K\n0.288755 0.288755 0.288754 K\n0.165391 0.165391 0.165390 Ni\n0.834611 0.834611 0.834606 Ni\n0.560439 0.560439 0.560436 As\n0.439563 0.439563 0.439560 As\n0.876164 0.536779 0.212177 O\n0.212180 0.876165 0.536776 O\n0.380435 0.380435 0.380433 O\n0.463222 0.787821 0.123834 O\n0.123837 0.463223 0.787819 O\n0.536779 0.212181 0.876161 O\n0.787821 0.123837 0.463220 O\n0.619567 0.619567 0.619563 O\n",
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"structure_string": "V4 Cd4 Ag4 O16\n1.0\n5.496344 0.000000 0.000000\n-0.000000 7.004749 0.000000\n0.000000 0.000000 9.955601\nV Cd Ag O\n4 4 4 16\ndirect\n0.990268 0.750000 0.678530 V\n0.490269 0.250000 0.821470 V\n0.009731 0.250000 0.321470 V\n0.509730 0.750000 0.178530 V\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.505545 0.750000 0.847750 Ag\n0.005545 0.250000 0.652250 Ag\n0.494454 0.250000 0.152250 Ag\n0.994454 0.750000 0.347750 Ag\n0.652645 0.550774 0.116705 O\n0.152646 0.449226 0.383295 O\n0.652645 0.949226 0.116705 O\n0.152646 0.050774 0.383295 O\n0.347354 0.449226 0.883295 O\n0.847354 0.550774 0.616705 O\n0.203277 0.750000 0.126904 O\n0.439481 0.250000 0.643805 O\n0.796722 0.250000 0.873096 O\n0.296722 0.750000 0.626904 O\n0.560518 0.750000 0.356195 O\n0.060518 0.250000 0.143805 O\n0.847354 0.949226 0.616705 O\n0.939481 0.750000 0.856195 O\n0.703277 0.250000 0.373096 O\n0.347354 0.050774 0.883295 O\n",
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"volume_molar": 8.243788435163928,
"formula_full": "V4 Cd4 Ag4 O16",
"formula_reduced": "VCdAgO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.6863193157142855,
"spacegroup": 62
}
]
}