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{
"id": "mp-981391",
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"structure_string": "Hg3 Ir1\n1.0\n-2.076539 2.076539 4.597893\n2.076539 -2.076539 4.597893\n2.076539 2.076539 -4.597893\nHg Ir\n3 1\ndirect\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 Ir\n",
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{
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{
"id": "mp-981387",
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"structure_string": "Hg3 Bi1\n1.0\n4.759273 0.000000 0.000000\n0.000000 4.759273 0.000000\n0.000000 0.000000 4.759273\nHg Bi\n3 1\ndirect\n0.500000 0.000000 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n0.000000 0.000000 0.500000 Hg\n0.500000 0.500000 0.500000 Bi\n",
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"updated_at": "2021-11-28T01:38:14.770000Z",
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{
"id": "mp-981386",
"created_at": "2022-09-04T14:45:28.571885Z",
"structure_string": "Sc1 H4 Pd3\n1.0\n4.220927 0.000000 0.000000\n0.000000 4.220927 0.000000\n0.000000 0.000000 4.220927\nSc H Pd\n1 4 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.000000 H\n0.000000 0.500000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.500000 0.500000 0.500000 H\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n",
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"density": 8.131404839234461,
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"volume": 75.20098404030172,
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"formula_full": "Sc1 H4 Pd3",
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{
"id": "mp-981385",
"created_at": "2022-09-04T14:43:42.318808Z",
"structure_string": "Sc3 P1\n1.0\n-2.034298 2.034298 4.733829\n2.034298 -2.034298 4.733829\n2.034298 2.034298 -4.733829\nSc P\n3 1\ndirect\n0.750000 0.250000 0.500000 Sc\n0.250000 0.750000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.000000 P\n",
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"density": 3.5143143671321577,
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"updated_at": "2021-11-28T01:36:13.355000Z",
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{
"id": "mp-981384",
"created_at": "2022-09-04T14:41:49.051175Z",
"structure_string": "Sc1 Os3\n1.0\n3.957284 0.000000 0.000000\n0.000000 3.957284 0.000000\n0.000000 0.000000 3.957284\nSc Os\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n",
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"density": 16.496371943758433,
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"formula_full": "Sc1 Os3",
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"energy": -39.61843813,
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"updated_at": "2021-11-28T01:35:28.607000Z",
"spacegroup": 221
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{
"id": "mp-981383",
"created_at": "2022-09-04T14:43:59.889937Z",
"structure_string": "Sc1 Sn3\n1.0\n-2.221038 2.221038 5.047781\n2.221038 -2.221038 5.047781\n2.221038 2.221038 -5.047781\nSc Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n",
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"density": 6.686733755660681,
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"volume": 99.60301251340668,
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"formula_full": "Sc1 Sn3",
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"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:36:08.994000Z",
"spacegroup": 139
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{
"id": "mp-981382",
"created_at": "2022-09-04T14:47:04.829634Z",
"structure_string": "Mg1 Hg5\n1.0\n5.810830 -2.804494 0.000000\n5.810830 2.804494 0.000000\n4.457290 0.000000 4.665136\nMg Hg\n1 5\ndirect\n0.000000 0.000000 0.000000 Mg\n0.157750 0.842250 0.500000 Hg\n0.500000 0.157750 0.842250 Hg\n0.842250 0.500000 0.157750 Hg\n0.661910 0.661910 0.661910 Hg\n0.338090 0.338090 0.338090 Hg\n",
"nsites": 6,
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"elements": [
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"density": 11.21864411730014,
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"updated_at": "2021-11-28T01:37:55.768000Z",
"spacegroup": 155
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{
"id": "mp-981381",
"created_at": "2022-09-04T14:42:56.097112Z",
"structure_string": "Tm2 Tl1 Hg1\n1.0\n0.000000 3.720198 3.720198\n3.720198 0.000000 3.720198\n3.720198 3.720198 0.000000\nTm Tl Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.750000 0.750000 0.750000 Tm\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Hg\n",
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"density": 11.978907845832419,
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"volume": 102.9741368942488,
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"formula_full": "Tm2 Tl1 Hg1",
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"updated_at": "2021-11-28T01:35:59.794000Z",
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{
"id": "mp-981380",
"created_at": "2022-09-04T14:39:45.007923Z",
"structure_string": "Tl3 Zn1\n1.0\n0.000000 3.831126 3.831126\n3.831126 0.000000 3.831126\n3.831126 3.831126 0.000000\nTl Zn\n3 1\ndirect\n0.500000 0.500000 0.500000 Tl\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n0.000000 0.000000 0.000000 Zn\n",
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{
"id": "mp-981379",
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"structure_string": "Zn3 Cd1 S4\n1.0\n5.572217 0.000000 0.000000\n0.000000 5.572217 0.000000\n0.000000 0.000000 5.572217\nZn Cd S\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Cd\n0.262714 0.262714 0.262714 S\n0.737286 0.737286 0.262714 S\n0.262714 0.737286 0.737286 S\n0.737286 0.262714 0.737286 S\n",
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{
"id": "mp-981378",
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"structure_string": "Sr3 Yb1\n1.0\n0.000000 4.652314 4.652314\n4.652314 0.000000 4.652314\n4.652314 4.652314 0.000000\nSr Yb\n3 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Yb\n",
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]
}