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{
"id": "mp-556738",
"created_at": "2022-09-04T14:45:03.100075Z",
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{
"id": "mp-1203026",
"created_at": "2022-09-04T14:45:03.233782Z",
"structure_string": "Ce3 Ga24 Pd9\n1.0\n6.036789 -6.014802 0.000000\n6.036789 6.014802 0.000000\n0.043895 0.000000 8.521663\nCe Ga Pd\n3 24 9\ndirect\n0.000000 0.500000 0.000000 Ce\n0.500000 0.000000 0.000000 Ce\n0.000000 0.000000 0.500000 Ce\n0.989047 0.642323 0.642323 Ga\n0.642323 0.642323 0.989047 Ga\n0.642323 0.989047 0.642323 Ga\n0.010953 0.357677 0.357677 Ga\n0.357677 0.357677 0.010953 Ga\n0.357677 0.010953 0.357677 Ga\n0.738646 0.500000 0.261354 Ga\n0.261354 0.500000 0.738646 Ga\n0.500000 0.261354 0.738646 Ga\n0.500000 0.738646 0.261354 Ga\n0.261354 0.738646 0.500000 Ga\n0.738646 0.261354 0.500000 Ga\n0.839489 0.141280 0.839489 Ga\n0.141280 0.839489 0.839489 Ga\n0.839489 0.839489 0.141280 Ga\n0.160511 0.858720 0.160511 Ga\n0.858720 0.160511 0.160511 Ga\n0.160511 0.160511 0.858720 Ga\n0.732260 0.485371 0.732260 Ga\n0.485371 0.732260 0.732260 Ga\n0.732260 0.732260 0.485371 Ga\n0.267740 0.514629 0.267740 Ga\n0.514629 0.267740 0.267740 Ga\n0.267740 0.267740 0.514629 Ga\n0.837434 0.837434 0.837434 Pd\n0.162566 0.162566 0.162566 Pd\n0.663727 0.336273 0.000000 Pd\n0.000000 0.336273 0.663727 Pd\n0.336273 0.000000 0.663727 Pd\n0.336273 0.663727 0.000000 Pd\n0.000000 0.663727 0.336273 Pd\n0.663727 0.000000 0.336273 Pd\n0.500000 0.500000 0.500000 Pd\n",
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"elements": [
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"chemical_system": "Ce-Ga-Pd",
"density": 8.18800204030508,
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"volume": 618.844710346429,
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"formula_full": "Ce3 Ga24 Pd9",
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"updated_at": "2021-11-28T01:36:53.222000Z",
"spacegroup": 166
},
{
"id": "mp-1026705",
"created_at": "2022-09-04T14:45:03.282122Z",
"structure_string": "Mg14 Nb1 Si1\n1.0\n6.247957 0.073396 0.000000\n-3.060416 5.300795 0.000000\n0.000000 0.000000 10.166088\nMg Nb Si\n14 1 1\ndirect\n0.166393 0.333196 0.625000 Mg\n0.166882 0.833441 0.625000 Mg\n0.666967 0.335510 0.125000 Mg\n0.664527 0.331799 0.625000 Mg\n0.666967 0.831455 0.125000 Mg\n0.664527 0.832727 0.625000 Mg\n0.329407 0.163819 0.367161 Mg\n0.329407 0.163819 0.882839 Mg\n0.329407 0.665589 0.367161 Mg\n0.329407 0.665589 0.882839 Mg\n0.838901 0.169451 0.372128 Mg\n0.838901 0.169451 0.877872 Mg\n0.841066 0.670534 0.372725 Mg\n0.841066 0.670534 0.877275 Mg\n0.162039 0.831019 0.125000 Nb\n0.164135 0.332067 0.125000 Si\n",
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"density": 2.2595825197486175,
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"volume": 338.9756138486032,
"volume_molar": 12.758492880023088,
"formula_full": "Mg14 Nb1 Si1",
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"formula_anonymous": "ABC14",
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"spacegroup": 38
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{
"id": "mp-1041149",
"created_at": "2022-09-04T14:45:03.284251Z",
"structure_string": "Mg2 Sb6 P6 O26\n1.0\n6.988296 0.000000 0.000000\n0.000000 8.221791 0.000000\n0.000000 2.350515 10.822467\nMg Sb P O\n2 6 6 26\ndirect\n0.750000 0.428042 0.160966 Mg\n0.250000 0.571958 0.839034 Mg\n0.250000 0.651466 0.236640 Sb\n0.750000 0.348534 0.763360 Sb\n0.250000 0.233605 0.432915 Sb\n0.500000 0.000000 0.000000 Sb\n0.750000 0.766395 0.567085 Sb\n0.000000 0.000000 0.000000 Sb\n0.250000 0.803480 0.519937 P\n0.750000 0.196520 0.480063 P\n0.250000 0.271809 0.762462 P\n0.750000 0.728191 0.237538 P\n0.750000 0.682244 0.899878 P\n0.250000 0.317756 0.100122 P\n0.750000 0.664082 0.762325 O\n0.573171 0.230330 0.393962 O\n0.250000 0.215669 0.641402 O\n0.560291 0.772593 0.919203 O\n0.750000 0.311150 0.576311 O\n0.750000 0.127006 0.884127 O\n0.250000 0.688850 0.423689 O\n0.060291 0.227407 0.080797 O\n0.250000 0.985531 0.438340 O\n0.750000 0.014469 0.561660 O\n0.079161 0.387759 0.782216 O\n0.250000 0.872994 0.115873 O\n0.579161 0.612241 0.217784 O\n0.750000 0.502732 0.979932 O\n0.750000 0.784331 0.358598 O\n0.439709 0.227407 0.080797 O\n0.926829 0.230330 0.393962 O\n0.426829 0.769670 0.606038 O\n0.420839 0.387759 0.782216 O\n0.250000 0.335918 0.237675 O\n0.750000 0.890006 0.132005 O\n0.250000 0.109994 0.867995 O\n0.920839 0.612241 0.217784 O\n0.939709 0.772593 0.919203 O\n0.073171 0.769670 0.606038 O\n0.250000 0.497268 0.020068 O\n",
"nsites": 40,
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],
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"formula_full": "Mg2 Sb6 P6 O26",
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},
{
"id": "mp-7295",
"created_at": "2022-09-04T14:45:03.286414Z",
"structure_string": "Rb1 Cr5 S8\n1.0\n1.755284 9.038641 0.000000\n-1.755284 9.038641 0.000000\n0.000000 2.347831 8.467214\nRb Cr S\n1 5 8\ndirect\n0.500000 0.500000 0.500000 Rb\n0.295534 0.295534 0.333983 Cr\n0.704466 0.704466 0.666017 Cr\n0.341122 0.341122 0.974421 Cr\n0.658878 0.658878 0.025579 Cr\n0.000000 0.000000 0.000000 Cr\n0.238373 0.238373 0.844018 S\n0.761627 0.761627 0.155982 S\n0.172454 0.172454 0.515401 S\n0.827546 0.827546 0.484599 S\n0.085730 0.085730 0.168296 S\n0.914270 0.914270 0.831704 S\n0.422766 0.422766 0.146859 S\n0.577234 0.577234 0.853141 S\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.7205029723054914,
"density_atomic": 0.05210830810684022,
"volume": 268.6711679698967,
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"formula_full": "Rb1 Cr5 S8",
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"formula_anonymous": "AB5C8",
"energy": -97.60705366,
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{
"id": "mp-1202844",
"created_at": "2022-09-04T14:45:03.444104Z",
"structure_string": "Li8 W4 O48\n1.0\n10.992893 0.000000 0.000000\n0.000000 6.691970 0.000000\n0.000000 4.165037 14.143095\nLi W O\n8 4 48\ndirect\n0.591580 0.859542 0.329421 Li\n0.908420 0.859542 0.829421 Li\n0.408420 0.140458 0.670579 Li\n0.091580 0.140458 0.170579 Li\n0.629322 0.803045 0.072906 Li\n0.870678 0.803045 0.572906 Li\n0.370678 0.196955 0.927094 Li\n0.129322 0.196955 0.427094 Li\n0.595406 0.477975 0.267654 W\n0.904594 0.477975 0.767654 W\n0.404594 0.522025 0.732346 W\n0.095406 0.522025 0.232346 W\n0.648742 0.529910 0.372306 O\n0.851258 0.529910 0.872306 O\n0.351258 0.470090 0.627694 O\n0.148742 0.470090 0.127694 O\n0.689088 0.116810 0.618833 O\n0.810912 0.116810 0.118833 O\n0.310912 0.883190 0.381167 O\n0.189088 0.883190 0.881167 O\n0.634139 0.493446 0.124088 O\n0.865861 0.493446 0.624088 O\n0.365861 0.506554 0.875912 O\n0.134139 0.506554 0.375912 O\n0.740859 0.474305 0.184214 O\n0.759141 0.474305 0.684214 O\n0.259141 0.525695 0.815786 O\n0.240859 0.525695 0.315786 O\n0.465084 0.269926 0.303209 O\n0.034916 0.269926 0.803209 O\n0.534916 0.730074 0.696791 O\n0.965084 0.730074 0.196791 O\n0.587069 0.168071 0.302710 O\n0.912931 0.168071 0.802710 O\n0.412931 0.831929 0.697290 O\n0.087069 0.831929 0.197290 O\n0.593601 0.799745 0.204381 O\n0.906399 0.799745 0.704381 O\n0.406399 0.200255 0.795619 O\n0.093601 0.200255 0.295619 O\n0.471192 0.699878 0.229090 O\n0.028808 0.699878 0.729090 O\n0.528808 0.300122 0.770910 O\n0.971192 0.300122 0.270910 O\n0.972394 0.076635 0.510313 O\n0.527606 0.076635 0.010313 O\n0.027606 0.923365 0.489687 O\n0.472394 0.923365 0.989687 O\n0.733535 0.904551 0.464363 O\n0.766465 0.904551 0.964363 O\n0.266465 0.095449 0.535637 O\n0.233535 0.095449 0.035637 O\n0.792642 0.878977 0.395879 O\n0.707358 0.878977 0.895879 O\n0.207358 0.121023 0.604121 O\n0.292642 0.121023 0.104121 O\n0.590761 0.179754 0.581939 O\n0.909239 0.179754 0.081939 O\n0.409239 0.820246 0.418061 O\n0.090761 0.820246 0.918061 O\n",
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"formula_full": "Li8 W4 O48",
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{
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"created_at": "2022-09-04T14:45:03.696210Z",
"structure_string": "Li1 In2 Ru1\n1.0\n0.000000 3.264962 3.264962\n3.264962 0.000000 3.264962\n3.264962 3.264962 0.000000\nLi In Ru\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n0.500000 0.500000 0.500000 Ru\n",
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{
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