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{
"id": "mp-1213396",
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"structure_string": "K24 Ga24 Ge24 O96\n1.0\n0.000000 0.000000 -8.789124\n-9.451705 -16.370833 0.000000\n-9.451705 16.370833 0.000000\nK Ga Ge O\n24 24 24 96\ndirect\n0.983510 0.995991 0.525579 K\n0.983510 0.529588 0.004009 K\n0.483510 0.004009 0.474421 K\n0.983510 0.474421 0.470412 K\n0.483510 0.470412 0.995991 K\n0.483510 0.525579 0.529588 K\n0.983353 0.666667 0.333333 K\n0.483353 0.333333 0.666667 K\n0.980530 0.802526 0.133657 K\n0.980530 0.331131 0.197474 K\n0.480530 0.197474 0.866343 K\n0.980530 0.866343 0.668869 K\n0.480530 0.668869 0.802526 K\n0.480530 0.133657 0.331131 K\n0.476319 0.666667 0.333333 K\n0.976319 0.333333 0.666667 K\n0.979995 0.669479 0.855693 K\n0.979995 0.186214 0.330521 K\n0.479995 0.330521 0.144307 K\n0.979995 0.144307 0.813786 K\n0.479995 0.813786 0.669479 K\n0.479995 0.855693 0.186214 K\n0.993304 -0.000000 0.000000 K\n0.493304 -0.000000 0.000000 K\n0.685673 0.502268 0.824530 Ga\n0.685673 0.322263 0.497732 Ga\n0.185673 0.497732 0.175470 Ga\n0.685673 0.175470 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"density_atomic": 0.06176646659287875,
"volume": 2719.92246387248,
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"formula_full": "K24 Ga24 Ge24 O96",
"formula_reduced": "KGaGeO4",
"formula_anonymous": "ABCD4",
"energy": -1064.02826142,
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"updated_at": "2021-11-28T01:37:15.209000Z",
"spacegroup": 173
},
{
"id": "mp-645945",
"created_at": "2022-09-04T14:39:17.922050Z",
"structure_string": "Na96 Sn8 Ge64\n1.0\n14.238128 0.000000 0.000000\n0.000000 14.238128 0.000000\n0.000000 0.000000 22.068413\nNa Sn Ge\n96 8 64\ndirect\n0.261723 0.578689 0.746807 Na\n0.929274 0.125730 0.124657 Na\n0.379671 0.134595 0.844704 Na\n0.334411 0.354773 0.766858 Na\n0.134595 0.379671 0.155296 Na\n0.436637 0.603546 0.629095 Na\n0.675553 0.353690 0.995342 Na\n0.116990 0.383691 0.674192 Na\n0.498992 0.981607 0.962382 Na\n0.731178 0.424740 0.772174 Na\n0.917692 0.229642 0.268811 Na\n0.761723 0.921311 0.003193 Na\n0.620329 0.865405 0.344704 Na\n0.424740 0.731178 0.227826 Na\n0.738277 0.421311 0.246807 Na\n0.616990 0.116309 0.075808 Na\n0.565773 0.723216 0.515030 Na\n0.165589 0.854773 0.483142 Na\n0.365405 0.879671 0.094704 Na\n0.634595 0.120329 0.594704 Na\n0.383691 0.116990 0.325808 Na\n0.853690 0.824447 0.745342 Na\n0.353690 0.675553 0.004658 Na\n0.896454 0.936637 0.879095 Na\n0.120329 0.634595 0.405296 Na\n0.116309 0.616990 0.924192 Na\n0.324447 0.646310 0.495342 Na\n0.924740 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"elements": [
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],
"chemical_system": "Ge-Na-Sn",
"density": 2.8972216334768373,
"density_atomic": 0.037551941262126354,
"volume": 4473.803333556,
"volume_molar": 16.03682940906635,
"formula_full": "Na96 Sn8 Ge64",
"formula_reduced": "Na12SnGe8",
"formula_anonymous": "AB8C12",
"energy": -480.74104132,
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"updated_at": "2021-11-28T01:34:23.975000Z",
"spacegroup": 92
},
{
"id": "mp-680434",
"created_at": "2022-09-04T14:47:19.717755Z",
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"elements": [
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"chemical_system": "Cd-Na",
"density": 6.827834141102784,
"density_atomic": 0.04174894992948211,
"volume": 4000.1006080890334,
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"formula_full": "Na26 Cd141",
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"updated_at": "2021-11-28T01:38:07.081000Z",
"spacegroup": 191
},
{
"id": "mp-1198567",
"created_at": "2022-09-04T14:46:15.504823Z",
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0.288736 Ti\n0.654055 0.087594 0.711264 Ti\n0.654055 0.912406 0.711264 Ti\n0.846912 0.844201 0.295066 Ti\n0.846912 0.155799 0.295066 Ti\n0.153088 0.155799 0.704934 Ti\n0.153088 0.844201 0.704934 Ti\n0.976579 0.676816 0.272133 Ti\n0.976579 0.323184 0.272133 Ti\n0.023421 0.323184 0.727867 Ti\n0.023421 0.676816 0.727867 Ti\n0.983086 0.500000 0.271406 Ti\n0.016914 0.500000 0.728594 Ti\n0.004787 0.898121 0.187189 Ti\n0.004787 0.101879 0.187189 Ti\n0.995213 0.101879 0.812811 Ti\n0.995213 0.898121 0.812811 Ti\n0.015784 0.698621 0.178861 Ti\n0.015784 0.301379 0.178861 Ti\n0.984216 0.301379 0.821139 Ti\n0.984216 0.698621 0.821139 Ti\n0.011366 0.500000 0.177020 Ti\n0.988634 0.500000 0.822979 Ti\n0.499536 0.900399 0.094312 Ti\n0.499536 0.099601 0.094312 Ti\n0.500463 0.099601 0.905688 Ti\n0.500463 0.900399 0.905688 Ti\n0.503568 0.699008 0.092020 Ti\n0.503568 0.300992 0.092020 Ti\n0.496432 0.300992 0.907980 Ti\n0.496432 0.699008 0.907980 Ti\n0.504221 0.500000 0.091523 Ti\n0.495779 0.500000 0.908477 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"elements": [
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"density": 2.849649615977124,
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"updated_at": "2021-11-28T01:37:28.173000Z",
"spacegroup": 10
},
{
"id": "mp-640740",
"created_at": "2022-09-04T14:39:12.063741Z",
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{
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"elements": [
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},
{
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"nelements": 6,
"elements": [
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"density_atomic": 0.09749070336592648,
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"volume_molar": 6.177143616859747,
"formula_full": "Co2 H80 C20 Br4 N40 O20",
"formula_reduced": "CoH40C10Br2(N2O)10",
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"energy": -1028.17725006,
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"updated_at": "2021-11-28T01:34:51.068000Z",
"spacegroup": 14
},
{
"id": "mp-657344",
"created_at": "2022-09-04T14:46:12.464484Z",
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"elements": [
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"updated_at": "2021-11-28T01:37:23.246000Z",
"spacegroup": 9
}
]
}