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{
"id": "mp-995190",
"created_at": "2022-09-04T14:43:01.193213Z",
"structure_string": "K2 Ca2 Si2 H2 O8\n1.0\n7.539157 0.000000 0.000000\n0.000000 5.608103 0.000000\n0.000000 2.707492 4.966208\nK Ca Si H O\n2 2 2 2 8\ndirect\n0.766822 0.354196 0.279194 K\n0.266822 0.645804 0.720806 K\n0.515062 0.995191 0.992959 Ca\n0.015062 0.004809 0.007041 Ca\n0.754580 0.681091 0.624551 Si\n0.254580 0.318909 0.375449 Si\n0.997463 0.959899 0.535119 H\n0.497463 0.040101 0.464881 H\n0.761978 0.348988 0.784057 O\n0.261978 0.651012 0.215943 O\n0.759763 0.812418 0.294403 O\n0.259763 0.187582 0.705597 O\n0.589626 0.808867 0.718045 O\n0.089626 0.191133 0.281955 O\n0.937705 0.808431 0.706353 O\n0.437705 0.191569 0.293647 O\n",
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{
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{
"id": "mp-995183",
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"structure_string": "C4 O4\n1.0\n2.557304 0.000000 0.000000\n0.000000 4.347525 0.000000\n0.000000 0.000000 7.713633\nC O\n4 4\ndirect\n0.750000 0.075725 0.034734 C\n0.250000 0.575725 0.465266 C\n0.250000 0.924275 0.965266 C\n0.750000 0.424275 0.534734 C\n0.750000 0.292821 0.134911 O\n0.250000 0.792821 0.365089 O\n0.250000 0.707179 0.865089 O\n0.750000 0.207179 0.634911 O\n",
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"formula_full": "C4 O4",
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{
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"formula_full": "Nd1 B4",
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{
"id": "mp-995181",
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"density": 1.530941159943396,
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"formula_full": "Sn1 Ge1",
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"updated_at": "2021-11-28T01:34:49.460000Z",
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{
"id": "mp-995147",
"created_at": "2022-09-04T14:40:14.811261Z",
"structure_string": "Pb2 Br2 Cl2\n1.0\n4.703055 0.000000 0.000000\n0.000000 4.703055 0.000000\n0.000000 0.000000 7.902407\nPb Br Cl\n2 2 2\ndirect\n0.500000 0.000000 0.766938 Pb\n0.000000 0.500000 0.233062 Pb\n0.000000 0.500000 0.635174 Br\n0.500000 0.000000 0.364826 Br\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 6,
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"Br",
"Cl"
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"density": 6.128667435404393,
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"volume": 174.7911778051811,
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"formula_full": "Pb2 Br2 Cl2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.042000Z",
"spacegroup": 129
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{
"id": "mp-995122",
"created_at": "2022-09-04T14:48:18.383297Z",
"structure_string": "Nb1 S2\n1.0\n1.688322 -2.924260 0.000000\n1.688322 2.924260 0.000000\n0.000000 0.000000 6.311268\nNb S\n1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.666667 0.333333 0.754038 S\n0.333333 0.666667 0.245962 S\n",
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"volume": 62.3186277120654,
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"updated_at": "2021-11-28T01:39:04.203000Z",
"spacegroup": 164
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{
"id": "mp-9951",
"created_at": "2022-09-04T14:46:28.212562Z",
"structure_string": "Mn3 Nb3 Ge3\n1.0\n3.291149 -5.700437 0.000000\n3.291149 5.700437 0.000000\n0.000000 0.000000 3.645697\nMn Nb Ge\n3 3 3\ndirect\n0.000000 0.749230 0.000000 Mn\n0.250770 0.250770 0.000000 Mn\n0.749230 0.000000 0.000000 Mn\n0.000000 0.416934 0.500000 Nb\n0.583066 0.583066 0.500000 Nb\n0.416934 0.000000 0.500000 Nb\n0.333333 0.666667 0.000000 Ge\n0.666667 0.333333 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n",
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"formula_full": "Mn3 Nb3 Ge3",
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{
"id": "mp-9950",
"created_at": "2022-09-04T14:48:07.453005Z",
"structure_string": "Ba1 Li1 Si1\n1.0\n2.482698 -4.300158 0.000000\n2.482698 4.300158 0.000000\n0.000000 0.000000 3.919929\nBa Li Si\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Ba\n0.000000 0.000000 0.500000 Li\n0.333333 0.666667 0.500000 Si\n",
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{
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{
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"formula_full": "V5 Te4",
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]
}