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{
"id": "mp-1102786",
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"structure_string": "Rb2 U1 Br4 O4\n1.0\n7.037672 0.000000 0.000000\n3.181529 6.301520 0.000000\n1.221034 1.998772 7.815104\nRb U Br O\n2 1 4 4\ndirect\n0.748345 0.553376 0.741885 Rb\n0.251655 0.446624 0.258115 Rb\n0.000000 0.000000 0.500000 U\n0.591207 0.155730 0.650251 Br\n0.408793 0.844270 0.349749 Br\n0.849624 0.265787 0.164494 Br\n0.150376 0.734213 0.835506 Br\n0.967926 0.772004 0.467395 O\n0.032074 0.227996 0.532605 O\n0.170207 0.351755 0.931418 O\n0.829793 0.648245 0.068582 O\n",
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{
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},
{
"id": "mp-1191193",
"created_at": "2022-09-04T14:41:54.189265Z",
"structure_string": "Bi4 B20\n1.0\n10.679691 0.000000 0.000000\n-0.758454 11.704751 0.000000\n-4.753248 -1.106459 14.136981\nBi B\n4 20\ndirect\n0.641800 0.877151 0.102081 Bi\n0.358200 0.122849 0.897919 Bi\n0.570302 0.915640 0.393683 Bi\n0.429698 0.084360 0.606317 Bi\n0.751777 0.004146 0.350752 B\n0.248223 0.995854 0.649248 B\n0.777475 0.963937 0.250308 B\n0.222525 0.036063 0.749692 B\n0.669212 0.750501 0.223634 B\n0.330788 0.249499 0.776366 B\n0.619867 0.743999 0.317930 B\n0.380133 0.256001 0.682070 B\n0.815730 0.916486 0.438313 B\n0.184270 0.083514 0.561687 B\n0.886315 0.937987 0.352812 B\n0.113685 0.062013 0.647188 B\n0.818846 0.827713 0.272140 B\n0.181154 0.172287 0.727860 B\n0.774419 0.717085 0.325251 B\n0.225581 0.282915 0.674749 B\n0.746054 0.782010 0.420451 B\n0.253946 0.217990 0.579549 B\n0.889164 0.811590 0.399026 B\n0.110836 0.188410 0.600974 B\n",
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{
"id": "mp-1195131",
"created_at": "2022-09-04T14:41:54.198485Z",
"structure_string": "Sr12 Ca4 Ir8 O36\n1.0\n5.792311 0.000000 0.000000\n0.000000 9.994624 0.000000\n0.000000 0.009057 14.121904\nSr Ca Ir O\n12 4 8 36\ndirect\n0.960061 0.004474 0.253030 Sr\n0.460061 0.495526 0.746970 Sr\n0.039939 0.995526 0.746970 Sr\n0.539939 0.504474 0.253030 Sr\n0.467535 0.166085 0.417693 Sr\n0.967535 0.333915 0.582307 Sr\n0.532465 0.833915 0.582307 Sr\n0.032465 0.666085 0.417693 Sr\n0.966738 0.670226 0.920191 Sr\n0.466738 0.829774 0.079809 Sr\n0.033262 0.329774 0.079809 Sr\n0.533262 0.170226 0.920191 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.500000 Ca\n0.500574 0.168224 0.171996 Ir\n0.000574 0.331776 0.828004 Ir\n0.499426 0.831776 0.828004 Ir\n0.999426 0.668224 0.171996 Ir\n0.004742 0.334101 0.327484 Ir\n0.504742 0.165899 0.672516 Ir\n0.995258 0.665899 0.672516 Ir\n0.495258 0.834101 0.327484 Ir\n0.484938 0.700059 0.427995 O\n0.984938 0.799941 0.572005 O\n0.515062 0.299941 0.572005 O\n0.015062 0.200059 0.427995 O\n0.514112 0.654465 0.883241 O\n0.014112 0.845535 0.116759 O\n0.485888 0.345535 0.116759 O\n0.985888 0.154465 0.883241 O\n0.768897 0.126107 0.093908 O\n0.268897 0.373893 0.906092 O\n0.231103 0.873893 0.906092 O\n0.731103 0.626107 0.093908 O\n0.198518 0.603380 0.070173 O\n0.698518 0.896620 0.929827 O\n0.801482 0.396620 0.929827 O\n0.301482 0.103380 0.070173 O\n0.693712 0.946187 0.406616 O\n0.193712 0.553813 0.593384 O\n0.306288 0.053813 0.593384 O\n0.806288 0.446187 0.406616 O\n0.712997 0.289075 0.750302 O\n0.212997 0.210925 0.249698 O\n0.287003 0.710925 0.249698 O\n0.787003 0.789075 0.750302 O\n0.285096 0.763512 0.723324 O\n0.785096 0.736488 0.276676 O\n0.714904 0.236488 0.276676 O\n0.214904 0.263512 0.723324 O\n0.273758 0.419739 0.382225 O\n0.773758 0.080261 0.617775 O\n0.726242 0.580261 0.617775 O\n0.226242 0.919739 0.382225 O\n0.986596 0.475981 0.224178 O\n0.486596 0.024019 0.775822 O\n0.013404 0.524019 0.775822 O\n0.513404 0.975981 0.224178 O\n",
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"elements": [
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"O"
],
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"density": 6.75445129397711,
"density_atomic": 0.0733904690114165,
"volume": 817.5448502811244,
"volume_molar": 8.205616943343427,
"formula_full": "Sr12 Ca4 Ir8 O36",
"formula_reduced": "Sr3CaIr2O9",
"formula_anonymous": "AB2C3D9",
"energy": -419.8581109,
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"updated_at": "2021-11-28T01:35:34.255000Z",
"spacegroup": 14
},
{
"id": "mp-1199047",
"created_at": "2022-09-04T14:41:54.294346Z",
"structure_string": "Fe8 P48 W4\n1.0\n5.686030 0.000000 0.000000\n0.000000 11.121872 0.000000\n0.000000 0.000000 13.759949\nFe P W\n8 48 4\ndirect\n0.896482 0.959002 0.349675 Fe\n0.603518 0.459002 0.150325 Fe\n0.603518 0.040998 0.849675 Fe\n0.896482 0.540998 0.650325 Fe\n0.103518 0.040998 0.650325 Fe\n0.396482 0.540998 0.849675 Fe\n0.396482 0.959002 0.150325 Fe\n0.103518 0.459002 0.349675 Fe\n0.016846 0.695623 0.167944 P\n0.483154 0.195623 0.332056 P\n0.483154 0.304377 0.667944 P\n0.016846 0.804377 0.832056 P\n0.983154 0.304377 0.832056 P\n0.516846 0.804377 0.667944 P\n0.516846 0.695623 0.332056 P\n0.983154 0.195623 0.167944 P\n0.880913 0.771381 0.310614 P\n0.619087 0.271381 0.189386 P\n0.619087 0.228619 0.810614 P\n0.880913 0.728619 0.689386 P\n0.119087 0.228619 0.689386 P\n0.380913 0.728619 0.810614 P\n0.380913 0.771381 0.189386 P\n0.119087 0.271381 0.310614 P\n0.743831 0.897956 0.491456 P\n0.756169 0.397956 0.008544 P\n0.756169 0.102044 0.991456 P\n0.743831 0.602044 0.508544 P\n0.256169 0.102044 0.508544 P\n0.243831 0.602044 0.991456 P\n0.243831 0.897956 0.008544 P\n0.256169 0.397956 0.491456 P\n0.562226 0.644424 0.086789 P\n0.937774 0.144424 0.413211 P\n0.937774 0.355576 0.586789 P\n0.562226 0.855576 0.913211 P\n0.437774 0.355576 0.913211 P\n0.062226 0.855576 0.586789 P\n0.062226 0.644424 0.413211 P\n0.437774 0.144424 0.086789 P\n0.764895 0.938807 0.091524 P\n0.735105 0.438807 0.408476 P\n0.735105 0.061193 0.591524 P\n0.764895 0.561193 0.908476 P\n0.235105 0.061193 0.908476 P\n0.264895 0.561193 0.591524 P\n0.264895 0.938807 0.408476 P\n0.235105 0.438807 0.091524 P\n0.532970 0.999916 0.297213 P\n0.967030 0.499916 0.202787 P\n0.967030 0.000084 0.797213 P\n0.532970 0.500084 0.702787 P\n0.467030 0.000084 0.702787 P\n0.032970 0.500084 0.797213 P\n0.032970 0.999916 0.202787 P\n0.467030 0.499916 0.297213 P\n0.899374 0.750000 0.000000 W\n0.600626 0.250000 0.500000 W\n0.100626 0.250000 0.000000 W\n0.399374 0.750000 0.500000 W\n",
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{
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"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n1.672732 -2.897257 0.000000\n1.672732 2.897257 0.000000\n0.000000 0.000000 38.140528\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.333333 0.666667 0.331760 Te\n0.333333 0.666667 0.231698 Te\n0.333333 0.666667 0.093892 Mo\n0.666667 0.333333 0.657551 Mo\n0.333333 0.666667 0.469738 W\n0.666667 0.333333 0.281717 W\n0.333333 0.666667 0.701279 Se\n0.666667 0.333333 0.425801 Se\n0.666667 0.333333 0.513679 Se\n0.333333 0.666667 0.613810 Se\n0.666667 0.333333 0.054148 S\n0.666667 0.333333 0.133676 S\n",
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{
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"structure_string": "Ba2 Pu1 Mn1 O6\n1.0\n0.000000 4.247320 4.247320\n4.247320 0.000000 4.247320\n4.247320 4.247320 0.000000\nBa Pu Mn O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 Mn\n0.745993 0.254007 0.254007 O\n0.254007 0.745993 0.745993 O\n0.254007 0.745993 0.254007 O\n0.745993 0.254007 0.745993 O\n0.254007 0.254007 0.745993 O\n0.745993 0.745993 0.254007 O\n",
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{
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