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{
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{
"id": "mp-1096963",
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{
"id": "mp-1199772",
"created_at": "2022-09-04T14:48:21.567462Z",
"structure_string": "Sb16 Xe8 Cl8 F88\n1.0\n7.560516 0.000000 0.000000\n0.000000 17.796130 0.000000\n0.000000 0.000000 18.336855\nSb Xe Cl F\n16 8 8 88\ndirect\n0.143295 0.413394 0.831483 Sb\n0.856705 0.913394 0.168517 Sb\n0.643295 0.913394 0.668517 Sb\n0.356705 0.413394 0.331483 Sb\n0.555095 0.385101 0.700822 Sb\n0.444905 0.885101 0.299178 Sb\n0.055095 0.885101 0.799178 Sb\n0.944905 0.385101 0.200822 Sb\n0.448566 0.158011 0.531157 Sb\n0.551434 0.658011 0.468843 Sb\n0.948566 0.658011 0.968843 Sb\n0.051434 0.158011 0.031157 Sb\n0.865491 0.136675 0.402667 Sb\n0.134509 0.636675 0.597333 Sb\n0.365491 0.636675 0.097333 Sb\n0.634509 0.136675 0.902667 Sb\n0.658412 0.393761 0.976917 Xe\n0.341588 0.893761 0.023083 Xe\n0.158412 0.893761 0.523083 Xe\n0.841588 0.393761 0.476917 Xe\n0.341053 0.159882 0.256095 Xe\n0.658947 0.659882 0.743905 Xe\n0.841053 0.659882 0.243905 Xe\n0.158947 0.159882 0.756095 Xe\n0.395758 0.382338 0.045196 Cl\n0.604242 0.882338 0.954804 Cl\n0.895758 0.882338 0.454804 Cl\n0.104242 0.382338 0.545196 Cl\n0.604871 0.157741 0.187476 Cl\n0.395129 0.657741 0.812524 Cl\n0.104871 0.657741 0.312524 Cl\n0.895129 0.157741 0.687476 Cl\n0.272956 0.482574 0.889314 F\n0.727044 0.982574 0.110686 F\n0.772956 0.982574 0.610686 F\n0.227044 0.482574 0.389314 F\n0.020538 0.493675 0.786963 F\n0.979462 0.993675 0.213037 F\n0.520538 0.993675 0.713037 F\n0.479462 0.493675 0.286963 F\n0.045740 0.343813 0.764247 F\n0.954260 0.843813 0.235753 F\n0.545740 0.843813 0.735753 F\n0.454260 0.343813 0.264247 F\n0.336527 0.431102 0.752965 F\n0.663473 0.931102 0.247035 F\n0.836527 0.931102 0.747035 F\n0.163473 0.431102 0.252965 F\n0.286671 0.334456 0.868858 F\n0.713329 0.834456 0.131142 F\n0.786671 0.834456 0.631142 F\n0.213329 0.334456 0.368858 F\n0.964618 0.396933 0.904957 F\n0.035382 0.896933 0.095043 F\n0.464618 0.896933 0.595043 F\n0.535382 0.396933 0.404957 F\n0.419096 0.393600 0.613186 F\n0.580904 0.893600 0.386814 F\n0.919096 0.893600 0.886814 F\n0.080904 0.393600 0.113186 F\n0.752517 0.344262 0.651287 F\n0.247483 0.844262 0.348713 F\n0.252517 0.844262 0.848713 F\n0.747483 0.344262 0.151287 F\n0.657989 0.384478 0.795370 F\n0.342011 0.884478 0.204630 F\n0.157989 0.884478 0.704630 F\n0.842011 0.384478 0.295370 F\n0.629848 0.486146 0.688413 F\n0.370152 0.986146 0.311587 F\n0.129848 0.986146 0.811587 F\n0.870152 0.486146 0.188413 F\n0.452207 0.289525 0.718713 F\n0.547793 0.789525 0.281287 F\n0.952207 0.789525 0.781287 F\n0.047793 0.289525 0.218713 F\n0.351908 0.157390 0.435548 F\n0.648092 0.657390 0.564452 F\n0.851908 0.657390 0.064452 F\n0.148092 0.157390 0.935548 F\n0.242581 0.193035 0.578990 F\n0.757419 0.693035 0.421010 F\n0.742581 0.693035 0.921010 F\n0.257419 0.193035 0.078990 F\n0.678687 0.118052 0.483026 F\n0.321313 0.618052 0.516974 F\n0.178687 0.618052 0.016974 F\n0.821313 0.118052 0.983026 F\n0.579393 0.152140 0.620348 F\n0.420607 0.652140 0.379652 F\n0.079393 0.652140 0.879652 F\n0.920607 0.152140 0.120348 F\n0.540214 0.255875 0.514741 F\n0.459786 0.755875 0.485259 F\n0.040214 0.755875 0.985259 F\n0.959786 0.255875 0.014741 F\n0.386866 0.055107 0.541788 F\n0.613134 0.555107 0.458212 F\n0.886866 0.555107 0.958212 F\n0.113134 0.055107 0.041788 F\n0.749288 0.060191 0.349527 F\n0.250712 0.560191 0.650473 F\n0.249288 0.560191 0.150473 F\n0.750712 0.060191 0.849527 F\n0.956501 0.212791 0.464474 F\n0.043499 0.712791 0.535526 F\n0.456501 0.712791 0.035526 F\n0.543499 0.212791 0.964474 F\n0.000390 0.063104 0.452411 F\n0.999610 0.563104 0.547589 F\n0.500390 0.563104 0.047589 F\n0.499610 0.063104 0.952411 F\n0.709787 0.209104 0.361689 F\n0.290213 0.709104 0.638311 F\n0.209787 0.709104 0.138311 F\n0.790213 0.209104 0.861689 F\n0.040307 0.152136 0.327312 F\n0.959693 0.652136 0.672688 F\n0.540307 0.652136 0.172688 F\n0.459693 0.152136 0.827312 F\n",
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"formula_full": "Sb16 Xe8 Cl8 F88",
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"spacegroup": 33
},
{
"id": "mp-505215",
"created_at": "2022-09-04T14:39:43.965361Z",
"structure_string": "Ba1 Cu6 As2\n1.0\n4.209540 0.000000 0.000000\n0.000000 4.209540 0.000000\n0.000000 0.000000 8.718671\nBa Cu As\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.500000 0.336482 Cu\n0.500000 0.000000 0.336482 Cu\n0.000000 0.500000 0.663518 Cu\n0.500000 0.000000 0.663518 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.195586 As\n0.500000 0.500000 0.804414 As\n",
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{
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"structure_string": "Pr1 In1\n1.0\n3.901648 0.000000 0.000000\n0.000000 3.901648 0.000000\n0.000000 0.000000 3.901648\nPr In\n1 1\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 In\n",
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{
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{
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{
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"structure_string": "Ga16 H48 Br48 N16\n1.0\n12.313590 0.000000 0.000000\n0.000000 12.921175 0.000000\n0.000000 0.000000 20.852944\nGa H Br N\n16 48 48 16\ndirect\n0.702871 0.462167 0.217827 Ga\n0.202871 0.037833 0.782173 Ga\n0.297129 0.962167 0.282173 Ga\n0.797129 0.537833 0.717827 Ga\n0.297129 0.537833 0.782173 Ga\n0.797129 0.962167 0.217827 Ga\n0.702871 0.037833 0.717827 Ga\n0.202871 0.462167 0.282173 Ga\n0.275484 0.745848 0.027640 Ga\n0.775484 0.754152 0.972360 Ga\n0.724516 0.245848 0.472360 Ga\n0.224516 0.254152 0.527640 Ga\n0.724516 0.254152 0.972360 Ga\n0.224516 0.245848 0.027640 Ga\n0.275484 0.754152 0.527640 Ga\n0.775484 0.745848 0.472360 Ga\n0.842034 0.490521 0.310939 H\n0.342034 0.009479 0.689061 H\n0.157966 0.990521 0.189061 H\n0.657966 0.509479 0.810939 H\n0.157966 0.509479 0.689061 H\n0.657966 0.990521 0.310939 H\n0.842034 0.009479 0.810939 H\n0.342034 0.490521 0.189061 H\n0.740282 0.572964 0.320408 H\n0.240282 0.927036 0.679592 H\n0.259718 0.072964 0.179592 H\n0.759718 0.427036 0.820408 H\n0.259718 0.427036 0.679592 H\n0.759718 0.072964 0.320408 H\n0.740282 0.927036 0.820408 H\n0.240282 0.572964 0.179592 H\n0.725633 0.450968 0.342323 H\n0.225633 0.049032 0.657677 H\n0.274367 0.950968 0.157677 H\n0.774367 0.549032 0.842323 H\n0.274367 0.549032 0.657677 H\n0.774367 0.950968 0.342323 H\n0.725633 0.049032 0.842323 H\n0.225633 0.450968 0.157677 H\n0.151148 0.713240 0.928224 H\n0.651148 0.786760 0.071776 H\n0.848852 0.213240 0.571776 H\n0.348852 0.286760 0.428224 H\n0.848852 0.286760 0.071776 H\n0.348852 0.213240 0.928224 H\n0.151148 0.786760 0.428224 H\n0.651148 0.713240 0.571776 H\n0.138767 0.835954 0.949505 H\n0.638767 0.664046 0.050495 H\n0.861233 0.335954 0.550495 H\n0.361233 0.164046 0.449505 H\n0.861233 0.164046 0.050495 H\n0.361233 0.335954 0.949505 H\n0.138767 0.664046 0.449505 H\n0.638767 0.835954 0.550495 H\n0.245274 0.798107 0.907844 H\n0.745274 0.701893 0.092156 H\n0.754726 0.298107 0.592156 H\n0.254726 0.201893 0.407844 H\n0.754726 0.201893 0.092156 H\n0.254726 0.298107 0.907844 H\n0.245274 0.701893 0.407844 H\n0.745274 0.798107 0.592156 H\n0.564264 0.581981 0.197369 Br\n0.064264 0.918019 0.802631 Br\n0.435736 0.081981 0.302631 Br\n0.935736 0.418019 0.697369 Br\n0.435736 0.418019 0.802631 Br\n0.935736 0.081981 0.197369 Br\n0.564264 0.918019 0.697369 Br\n0.064264 0.581981 0.302631 Br\n0.643635 0.291107 0.220674 Br\n0.143635 0.208893 0.779326 Br\n0.356365 0.791107 0.279326 Br\n0.856365 0.708893 0.720674 Br\n0.356365 0.708893 0.779326 Br\n0.856365 0.791107 0.220674 Br\n0.643635 0.208893 0.720674 Br\n0.143635 0.291107 0.279326 Br\n0.849568 0.486498 0.148448 Br\n0.349568 0.013502 0.851552 Br\n0.150432 0.986498 0.351552 Br\n0.650432 0.513502 0.648448 Br\n0.150432 0.513502 0.851552 Br\n0.650432 0.986498 0.148448 Br\n0.849568 0.013502 0.648448 Br\n0.349568 0.486498 0.351552 Br\n0.140089 0.738510 0.105917 Br\n0.640089 0.761490 0.894083 Br\n0.859911 0.238510 0.394083 Br\n0.359911 0.261490 0.605917 Br\n0.859911 0.261490 0.894083 Br\n0.359911 0.238510 0.105917 Br\n0.140089 0.761490 0.605917 Br\n0.640089 0.738510 0.394083 Br\n0.395861 0.882964 0.044797 Br\n0.895861 0.617036 0.955203 Br\n0.604139 0.382964 0.455203 Br\n0.104139 0.117036 0.544797 Br\n0.604139 0.117036 0.955203 Br\n0.104139 0.382964 0.044797 Br\n0.395861 0.617036 0.544797 Br\n0.895861 0.882964 0.455203 Br\n0.369443 0.590823 0.013383 Br\n0.869443 0.909177 0.986617 Br\n0.630557 0.090823 0.486617 Br\n0.130557 0.409177 0.513383 Br\n0.630557 0.409177 0.986617 Br\n0.130557 0.090823 0.013383 Br\n0.369443 0.909177 0.513383 Br\n0.869443 0.590823 0.486617 Br\n0.758995 0.498067 0.307847 N\n0.258995 0.001933 0.692153 N\n0.241005 0.998067 0.192153 N\n0.741005 0.501933 0.807847 N\n0.241005 0.501933 0.692153 N\n0.741005 0.998067 0.307847 N\n0.758995 0.001933 0.807847 N\n0.258995 0.498067 0.192153 N\n0.193726 0.776712 0.944127 N\n0.693726 0.723288 0.055873 N\n0.806274 0.276712 0.555873 N\n0.306274 0.223288 0.444127 N\n0.806274 0.223288 0.055873 N\n0.306274 0.276712 0.944127 N\n0.193726 0.723288 0.444127 N\n0.693726 0.776712 0.555873 N\n",
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"elements": [
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],
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"density": 2.614281353521499,
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"formula_full": "Ga16 H48 Br48 N16",
"formula_reduced": "GaH3Br3N",
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"updated_at": "2021-11-28T01:35:28.659000Z",
"spacegroup": 61
},
{
"id": "mp-1096105",
"created_at": "2022-09-04T14:45:18.185558Z",
"structure_string": "Ti2 Nb1 Pb1\n1.0\n-4.932667 5.000294 8.349396\n4.932667 -5.000294 8.349396\n4.932667 5.000294 -8.349396\nTi Nb Pb\n2 1 1\ndirect\n0.000000 0.223074 0.223074 Ti\n0.000000 0.776926 0.776926 Ti\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Pb\n",
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"updated_at": "2021-11-28T01:37:02.729000Z",
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},
{
"id": "mp-1113739",
"created_at": "2022-09-04T14:41:05.879371Z",
"structure_string": "Na2 Li1 Nd1 Cl6\n1.0\n0.000000 5.232963 5.232963\n5.232963 0.000000 5.232963\n5.232963 5.232963 0.000000\nNa Li Nd Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nd\n0.741422 0.258578 0.258578 Cl\n0.258578 0.258578 0.741422 Cl\n0.258578 0.741422 0.741422 Cl\n0.258578 0.741422 0.258578 Cl\n0.741422 0.258578 0.741422 Cl\n0.741422 0.741422 0.258578 Cl\n",
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{
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"elements": [
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{
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{
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"structure_string": "Sn2 Pb2 S4\n1.0\n3.775833 0.000000 0.000000\n0.000000 6.346719 0.000000\n0.000000 0.000000 25.574326\nSn Pb S\n2 2 4\ndirect\n0.077413 0.500000 0.404739 Sn\n0.922587 0.500000 0.904739 Sn\n0.918029 0.500000 0.593605 Pb\n0.081971 0.500000 0.093605 Pb\n0.578686 0.500000 0.341842 S\n0.421314 0.500000 0.841842 S\n0.417838 0.500000 0.660314 S\n0.582162 0.500000 0.160314 S\n",
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}
]
}