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{
"id": "mp-1080633",
"created_at": "2022-09-04T14:42:02.941060Z",
"structure_string": "Ce16 Se32\n1.0\n12.980050 0.000000 0.000000\n0.000000 14.830207 0.000000\n0.000000 0.153777 14.834283\nCe Se\n16 32\ndirect\n0.374269 0.835050 0.852180 Ce\n0.874269 0.164950 0.647820 Ce\n0.625731 0.164950 0.147820 Ce\n0.125731 0.835050 0.352180 Ce\n0.902280 0.341806 0.342755 Ce\n0.402280 0.658194 0.157245 Ce\n0.097720 0.658194 0.657245 Ce\n0.597720 0.341806 0.842755 Ce\n0.148804 0.405193 0.088131 Ce\n0.648804 0.594807 0.411869 Ce\n0.851196 0.594807 0.911869 Ce\n0.351196 0.405193 0.588131 Ce\n0.634294 0.895822 0.594469 Ce\n0.134294 0.104178 0.905531 Ce\n0.365706 0.104178 0.405531 Ce\n0.865706 0.895822 0.094469 Ce\n0.771282 0.276691 0.216377 Se\n0.271282 0.723309 0.283623 Se\n0.228718 0.723309 0.783623 Se\n0.728718 0.276691 0.716377 Se\n0.000000 0.500000 0.000000 Se\n0.500000 0.500000 0.500000 Se\n0.500000 0.000000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n0.924755 0.218239 0.477987 Se\n0.424755 0.781761 0.022013 Se\n0.075245 0.781761 0.522013 Se\n0.575245 0.218239 0.977987 Se\n0.692526 0.752965 0.493984 Se\n0.192526 0.247035 0.006016 Se\n0.307474 0.247035 0.506016 Se\n0.807474 0.752965 0.993984 Se\n0.304055 0.007366 0.861510 Se\n0.804055 0.992634 0.638490 Se\n0.695945 0.992634 0.138490 Se\n0.195945 0.007366 0.361510 Se\n0.828606 0.500514 0.407703 Se\n0.328606 0.499486 0.092297 Se\n0.171394 0.499486 0.592297 Se\n0.671394 0.500514 0.907703 Se\n0.086992 0.370666 0.260480 Se\n0.586992 0.629334 0.239520 Se\n0.913008 0.629334 0.739520 Se\n0.413008 0.370666 0.760480 Se\n0.546300 0.832076 0.748261 Se\n0.046300 0.167924 0.751739 Se\n0.453700 0.167924 0.251739 Se\n0.953700 0.832076 0.248261 Se\n",
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{
"id": "mp-14753",
"created_at": "2022-09-04T14:42:03.512897Z",
"structure_string": "Li56 Ta8 N32\n1.0\n9.851578 0.000000 0.000000\n0.000000 9.851578 0.000000\n0.000000 0.000000 9.851578\nLi Ta N\n56 8 32\ndirect\n0.868518 0.360232 0.384179 Li\n0.368518 0.139768 0.615821 Li\n0.131482 0.860232 0.115821 Li\n0.139768 0.615821 0.368518 Li\n0.115821 0.131482 0.860232 Li\n0.615821 0.368518 0.139768 Li\n0.360232 0.384179 0.868518 Li\n0.384179 0.868518 0.360232 Li\n0.860232 0.115821 0.131482 Li\n0.639768 0.884179 0.631482 Li\n0.884179 0.631482 0.639768 Li\n0.631482 0.639768 0.884179 Li\n0.131482 0.639768 0.615821 Li\n0.631482 0.860232 0.384179 Li\n0.868518 0.139768 0.884179 Li\n0.860232 0.384179 0.631482 Li\n0.884179 0.868518 0.139768 Li\n0.384179 0.631482 0.860232 Li\n0.639768 0.615821 0.131482 Li\n0.615821 0.131482 0.639768 Li\n0.139768 0.884179 0.868518 Li\n0.360232 0.115821 0.368518 Li\n0.115821 0.368518 0.360232 Li\n0.867560 0.620123 0.099347 Li\n0.368518 0.360232 0.115821 Li\n0.120123 0.099347 0.632440 Li\n0.379877 0.900653 0.132440 Li\n0.099347 0.632440 0.120123 Li\n0.132440 0.379877 0.900653 Li\n0.632440 0.120123 0.099347 Li\n0.400653 0.367560 0.620123 Li\n0.367560 0.620123 0.400653 Li\n0.900653 0.132440 0.379877 Li\n0.599347 0.867560 0.879877 Li\n0.867560 0.879877 0.599347 Li\n0.879877 0.599347 0.867560 Li\n0.379877 0.599347 0.632440 Li\n0.879877 0.900653 0.367560 Li\n0.620123 0.099347 0.867560 Li\n0.900653 0.367560 0.879877 Li\n0.368107 0.368107 0.368107 Li\n0.131893 0.631893 0.868107 Li\n0.868107 0.131893 0.631893 Li\n0.631893 0.868107 0.131893 Li\n0.631893 0.631893 0.631893 Li\n0.868107 0.368107 0.131893 Li\n0.131893 0.868107 0.368107 Li\n0.368107 0.131893 0.868107 Li\n0.120123 0.400653 0.132440 Li\n0.132440 0.120123 0.400653 Li\n0.400653 0.132440 0.120123 Li\n0.099347 0.867560 0.620123 Li\n0.632440 0.379877 0.599347 Li\n0.599347 0.632440 0.379877 Li\n0.367560 0.879877 0.900653 Li\n0.620123 0.400653 0.367560 Li\n0.127642 0.372358 0.627642 Ta\n0.372358 0.627642 0.127642 Ta\n0.627642 0.127642 0.372358 Ta\n0.872358 0.872358 0.872358 Ta\n0.872358 0.627642 0.372358 Ta\n0.627642 0.372358 0.872358 Ta\n0.372358 0.872358 0.627642 Ta\n0.127642 0.127642 0.127642 Ta\n0.010261 0.244268 0.014325 N\n0.510261 0.255732 0.985675 N\n0.989739 0.744268 0.485675 N\n0.255732 0.985675 0.510261 N\n0.485675 0.989739 0.744268 N\n0.985675 0.510261 0.255732 N\n0.244268 0.014325 0.010261 N\n0.014325 0.010261 0.244268 N\n0.744268 0.485675 0.989739 N\n0.755732 0.514325 0.489739 N\n0.514325 0.489739 0.755732 N\n0.489739 0.755732 0.514325 N\n0.989739 0.755732 0.985675 N\n0.489739 0.744268 0.014325 N\n0.010261 0.255732 0.514325 N\n0.744268 0.014325 0.489739 N\n0.514325 0.010261 0.255732 N\n0.014325 0.489739 0.744268 N\n0.755732 0.985675 0.989739 N\n0.985675 0.989739 0.755732 N\n0.255732 0.514325 0.010261 N\n0.244268 0.485675 0.510261 N\n0.485675 0.510261 0.244268 N\n0.510261 0.244268 0.485675 N\n0.242364 0.257636 0.742364 N\n0.257636 0.742364 0.242364 N\n0.742364 0.242364 0.257636 N\n0.757636 0.757636 0.757636 N\n0.757636 0.742364 0.257636 N\n0.742364 0.257636 0.757636 N\n0.257636 0.757636 0.742364 N\n0.242364 0.242364 0.242364 N\n",
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"density_atomic": 0.10040465133820999,
"volume": 956.1310031009116,
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"formula_full": "Li56 Ta8 N32",
"formula_reduced": "Li7TaN4",
"formula_anonymous": "AB4C7",
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"updated_at": "2021-11-28T01:35:31.549000Z",
"spacegroup": 205
},
{
"id": "mp-559389",
"created_at": "2022-09-04T14:42:03.567995Z",
"structure_string": "Si6 O12\n1.0\n4.346734 -4.198007 0.000000\n4.346734 4.198007 0.000000\n0.292366 0.000000 6.035882\nSi O\n6 12\ndirect\n0.747223 0.496406 0.110767 Si\n0.496406 0.110767 0.747223 Si\n0.503594 0.889233 0.252777 Si\n0.110767 0.747223 0.496406 Si\n0.889233 0.252777 0.503594 Si\n0.252777 0.503594 0.889233 Si\n0.752066 0.274226 0.272565 O\n0.274226 0.272565 0.752066 O\n0.725774 0.727435 0.247934 O\n0.000000 0.500000 0.000000 O\n0.727435 0.247934 0.725774 O\n0.500000 0.000000 0.000000 O\n0.272565 0.752066 0.274226 O\n0.500000 0.000000 0.500000 O\n0.247934 0.725774 0.727435 O\n0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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"density_atomic": 0.08171382609593592,
"volume": 220.28095929405075,
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{
"id": "mp-1209564",
"created_at": "2022-09-04T14:42:03.574546Z",
"structure_string": "Pr2 Cr2 Te2 O12\n1.0\n-2.785514 -4.824653 0.000000\n-2.785514 4.824653 0.000000\n0.000000 0.000000 -8.474950\nPr Cr Te O\n2 2 2 12\ndirect\n0.333333 0.666667 0.750000 Pr\n0.666667 0.333333 0.250000 Pr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.666667 0.333333 0.750000 Te\n0.333333 0.666667 0.250000 Te\n0.940270 0.299129 0.881126 O\n0.059730 0.700871 0.118874 O\n0.358859 0.059730 0.881126 O\n0.358859 0.299129 0.618874 O\n0.641141 0.940270 0.118874 O\n0.641141 0.700871 0.381126 O\n0.700871 0.641141 0.881126 O\n0.700871 0.059730 0.618874 O\n0.299129 0.358859 0.118874 O\n0.299129 0.940270 0.381126 O\n0.940270 0.641141 0.618874 O\n0.059730 0.358859 0.381126 O\n",
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"volume": 227.79205326523422,
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"formula_full": "Pr2 Cr2 Te2 O12",
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{
"id": "mp-1287635",
"created_at": "2022-09-04T14:42:03.594844Z",
"structure_string": "Na2 Fe4 P4 H2 O16\n1.0\n5.182945 0.003605 -0.917933\n-2.615303 8.258876 -0.962927\n0.078363 0.140972 9.084431\nNa Fe P H O\n2 4 4 2 16\ndirect\n0.593213 0.816530 0.323522 Na\n0.405860 0.183233 0.676280 Na\n0.223195 0.109240 0.263345 Fe\n0.311158 0.615403 0.900889 Fe\n0.776792 0.890877 0.736249 Fe\n0.689578 0.384748 0.099560 Fe\n0.151659 0.750605 0.578749 P\n0.848441 0.249394 0.421270 P\n0.880073 0.755114 0.063101 P\n0.119834 0.244935 0.936844 P\n0.076481 0.562756 0.380379 H\n0.923786 0.436939 0.619963 H\n0.895987 0.805767 0.550124 O\n0.103784 0.193883 0.449562 O\n0.706117 0.756870 0.904339 O\n0.294215 0.243473 0.095669 O\n0.404277 0.895778 0.641066 O\n0.595535 0.104445 0.358778 O\n0.075461 0.085941 0.832053 O\n0.924307 0.913963 0.168066 O\n0.119780 0.617636 0.681618 O\n0.880947 0.382744 0.318752 O\n0.149600 0.725774 0.045892 O\n0.850396 0.274255 0.954270 O\n0.304966 0.381484 0.869789 O\n0.694452 0.618354 0.129770 O\n0.198892 0.677118 0.420606 O\n0.801214 0.322742 0.579494 O\n",
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{
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"formula_full": "Nd4 Zr4 N4 O8",
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{
"id": "mp-1226412",
"created_at": "2022-09-04T14:42:02.758580Z",
"structure_string": "Cs2 Cu1 Br1 Cl3\n1.0\n-2.572026 2.572026 8.504602\n2.572026 -2.572026 8.504602\n2.572026 2.572026 -8.504602\nCs Cu Br Cl\n2 1 1 3\ndirect\n0.636887 0.636887 0.000000 Cs\n0.364313 0.364313 0.000000 Cs\n0.996583 0.996583 0.000000 Cu\n0.144969 0.144969 0.000000 Br\n0.499052 0.999052 0.500000 Cl\n0.999052 0.499052 0.500000 Cl\n0.859145 0.859145 0.000000 Cl\n",
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{
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