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{
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{
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"formula_full": "Cr8 O16",
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{
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"structure_string": "La2 I2\n1.0\n1.985373 -3.438767 0.000000\n1.985373 3.438767 0.000000\n0.000000 0.000000 9.750233\nLa I\n2 2\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.666667 0.333333 0.750000 I\n0.333333 0.666667 0.250000 I\n",
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{
"id": "mp-1178941",
"created_at": "2022-09-04T14:46:26.027130Z",
"structure_string": "Ti4 S4 O24\n1.0\n5.299957 0.000000 0.000000\n0.000000 8.738463 0.000000\n0.000000 0.000000 11.279271\nTi S O\n4 4 24\ndirect\n0.250000 0.029456 0.608825 Ti\n0.250000 0.470544 0.108825 Ti\n0.750000 0.970544 0.391175 Ti\n0.750000 0.529456 0.891175 Ti\n0.750000 0.216566 0.711711 S\n0.750000 0.283434 0.211711 S\n0.250000 0.783434 0.288289 S\n0.250000 0.716566 0.788289 S\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.750000 0.212910 0.095492 O\n0.750000 0.287090 0.595492 O\n0.250000 0.787090 0.904508 O\n0.250000 0.712910 0.404508 O\n0.250000 0.832721 0.689748 O\n0.250000 0.667279 0.189748 O\n0.750000 0.167279 0.310252 O\n0.750000 0.332721 0.810252 O\n0.521328 0.118035 0.732564 O\n0.978672 0.381965 0.232564 O\n0.021328 0.881965 0.267436 O\n0.478672 0.618035 0.767436 O\n0.478672 0.881965 0.267436 O\n0.021328 0.618035 0.767436 O\n0.978672 0.118035 0.732564 O\n0.521328 0.381965 0.232564 O\n0.750000 0.753638 0.919353 O\n0.750000 0.746362 0.419353 O\n0.250000 0.246362 0.080647 O\n0.250000 0.253638 0.580647 O\n",
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"volume": 522.382270962338,
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"formula_full": "Ti4 S4 O24",
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{
"id": "mp-1387551",
"created_at": "2022-09-04T14:46:26.045755Z",
"structure_string": "Y4 Mg2\n1.0\n2.618615 -6.402046 0.000000\n2.618615 6.402046 0.000000\n0.000000 0.000000 5.235766\nY Mg\n4 2\ndirect\n0.090324 0.402843 0.750000 Y\n0.402843 0.090324 0.750000 Y\n0.597157 0.909676 0.250000 Y\n0.909676 0.597157 0.250000 Y\n0.740675 0.740675 0.750000 Mg\n0.259325 0.259325 0.250000 Mg\n",
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"spacegroup": 63
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{
"id": "mp-1516764",
"created_at": "2022-09-04T14:46:26.051882Z",
"structure_string": "Ca2 In1 Sb1 O6\n1.0\n0.000000 -4.076010 -4.076010\n4.076010 -0.000000 -4.076010\n4.076010 -4.076010 0.000000\nCa In Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n-0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Sb\n0.741644 0.258356 0.258356 O\n0.258356 0.741644 0.741644 O\n0.741644 0.258356 0.741644 O\n0.258356 0.741644 0.258356 O\n0.741644 0.741644 0.258356 O\n0.258356 0.258356 0.741644 O\n",
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{
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"created_at": "2022-09-04T14:46:26.053575Z",
"structure_string": "Ba10 Li4 U6 O30\n1.0\n-6.813798 6.813798 4.323140\n6.813798 -6.813798 4.323140\n6.813798 6.813798 -4.323140\nBa Li U O\n10 4 6 30\ndirect\n0.750000 0.250000 0.500000 Ba\n0.525796 0.633958 0.682342 Ba\n0.951616 0.843454 0.317658 Ba\n0.156546 0.474204 0.108163 Ba\n0.366042 0.048384 0.891837 Ba\n0.843454 0.525796 0.891837 Ba\n0.633958 0.951616 0.108163 Ba\n0.048384 0.156546 0.682342 Ba\n0.250000 0.750000 0.500000 Ba\n0.474204 0.366042 0.317658 Ba\n0.402351 0.197239 0.599590 Li\n0.802761 0.402351 0.205112 Li\n0.197239 0.597649 0.794888 Li\n0.597649 0.802761 0.400410 Li\n0.301111 0.900967 0.202078 U\n0.099033 0.301111 0.400144 U\n0.500000 0.500000 0.000000 U\n0.698889 0.099033 0.797922 U\n0.900967 0.698889 0.599856 U\n0.000000 0.000000 0.000000 U\n0.536354 0.136149 0.197993 O\n0.338360 0.536354 0.400204 O\n0.761909 0.761909 0.000000 O\n0.938156 0.338360 0.802007 O\n0.136149 0.938156 0.599796 O\n0.253338 0.757323 0.010661 O\n0.048056 0.144124 0.192181 O\n0.452092 0.360286 0.812378 O\n0.654617 0.955633 0.610250 O\n0.848801 0.552998 0.401799 O\n0.144124 0.951944 0.096068 O\n0.955633 0.345383 0.301017 O\n0.360286 0.547908 0.908193 O\n0.552998 0.151199 0.704197 O\n0.757323 0.746662 0.503985 O\n0.061844 0.661640 0.197993 O\n0.863851 0.061844 0.400204 O\n0.238091 0.238091 0.000000 O\n0.463646 0.863851 0.802007 O\n0.661640 0.463646 0.599796 O\n0.345383 0.044367 0.389750 O\n0.151199 0.447002 0.598201 O\n0.547908 0.639714 0.187622 O\n0.746662 0.242677 0.989339 O\n0.951944 0.855876 0.807819 O\n0.447002 0.848801 0.295803 O\n0.242677 0.253338 0.496015 O\n0.639714 0.452092 0.091807 O\n0.855876 0.048056 0.903932 O\n0.044367 0.654617 0.698983 O\n",
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{
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"structure_string": "Fe14 S16\n1.0\n3.338935 5.617196 0.000000\n-3.338935 5.617196 0.000000\n0.000000 4.992948 10.392091\nFe S\n14 16\ndirect\n0.217723 0.603586 0.970012 Fe\n0.396414 0.782277 0.529988 Fe\n0.782277 0.396414 0.029988 Fe\n0.603586 0.217723 0.470012 Fe\n0.171881 0.380250 0.229614 Fe\n0.619750 0.828119 0.270386 Fe\n0.828119 0.619750 0.770386 Fe\n0.380250 0.171881 0.729614 Fe\n0.001659 0.209605 0.500834 Fe\n0.790395 0.998341 0.999166 Fe\n0.998341 0.790395 0.499166 Fe\n0.209605 0.001659 0.000834 Fe\n0.197870 0.802130 0.250000 Fe\n0.802130 0.197870 0.750000 Fe\n0.126715 0.403937 0.882384 S\n0.596063 0.873285 0.617616 S\n0.873285 0.596063 0.117616 S\n0.403937 0.126715 0.382384 S\n0.391588 0.585576 0.109956 S\n0.414424 0.608412 0.390044 S\n0.608412 0.414424 0.890044 S\n0.585576 0.391588 0.609956 S\n0.864267 0.051166 0.153763 S\n0.948834 0.135733 0.346237 S\n0.135733 0.948834 0.846237 S\n0.051166 0.864267 0.653763 S\n0.077745 0.376389 0.629333 S\n0.623611 0.922255 0.870667 S\n0.922255 0.623611 0.370667 S\n0.376389 0.077745 0.129333 S\n",
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{
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{
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}