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{
"id": "mp-1093949",
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},
{
"id": "mp-1093760",
"created_at": "2022-09-04T14:42:16.047472Z",
"structure_string": "K2 Rb1 Bi1\n1.0\n-7.562770 7.746729 10.539607\n7.562770 -7.746729 10.539607\n7.562770 7.746729 -10.539607\nK Rb Bi\n2 1 1\ndirect\n0.722165 0.000000 0.722165 K\n0.277835 0.000000 0.277835 K\n0.000000 0.000000 0.000000 Rb\n0.500000 0.000000 0.500000 Bi\n",
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"elements": [
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"volume": 2469.9244249414974,
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"formula_full": "K2 Rb1 Bi1",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:38.162000Z",
"spacegroup": 71
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{
"id": "mp-1232419",
"created_at": "2022-09-04T14:42:16.581585Z",
"structure_string": "Cs3 Ac1\n1.0\n0.000000 5.484541 5.484541\n5.484541 0.000000 5.484541\n5.484541 5.484541 0.000000\nCs Ac\n3 1\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Ac\n",
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"elements": [
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"density": 3.149022376973841,
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"volume": 329.95207047366836,
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"formula_full": "Cs3 Ac1",
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"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:35:39.412000Z",
"spacegroup": 225
},
{
"id": "mp-1068966",
"created_at": "2022-09-04T14:47:13.169073Z",
"structure_string": "K5\n1.0\n4.459769 -6.503227 0.000000\n4.459769 6.503227 0.000000\n0.000000 0.000000 8.659120\nK\n5\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.747291 K\n0.500000 0.000000 0.747291 K\n0.500000 0.000000 0.252709 K\n0.000000 0.500000 0.252709 K\n",
"nsites": 5,
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"elements": [
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"density": 0.6462967090133793,
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"volume": 502.2790127367238,
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"formula_full": "K5",
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"updated_at": "2021-11-28T01:37:58.808000Z",
"spacegroup": 65
},
{
"id": "mp-1095809",
"created_at": "2022-09-04T14:39:15.909459Z",
"structure_string": "Cs2 Rb1 Sb1\n1.0\n-7.860907 8.436551 11.089609\n7.860907 -8.436551 11.089609\n7.860907 8.436551 -11.089609\nCs Rb Sb\n2 1 1\ndirect\n0.287499 0.000000 0.287499 Cs\n0.712501 0.000000 0.712501 Cs\n0.000000 0.000000 0.000000 Rb\n0.500000 0.000000 0.500000 Sb\n",
"nsites": 4,
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"elements": [
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"Rb",
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"density": 0.2670127216923517,
"density_atomic": 0.001359709624079799,
"volume": 2941.8045803029827,
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"formula_full": "Cs2 Rb1 Sb1",
"formula_reduced": "Cs2RbSb",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:35.920000Z",
"spacegroup": 71
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{
"id": "mp-1095934",
"created_at": "2022-09-04T14:42:06.517645Z",
"structure_string": "Ba2 Zn1 Au1\n1.0\n-6.346188 6.643510 9.407967\n6.346188 -6.643510 9.407967\n6.346188 6.643510 -9.407967\nBa Zn Au\n2 1 1\ndirect\n0.000000 0.255638 0.255638 Ba\n0.000000 0.744362 0.744362 Ba\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"Zn",
"Au"
],
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"density": 0.5620578178165135,
"density_atomic": 0.0025211209890151818,
"volume": 1586.59581092239,
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"formula_full": "Ba2 Zn1 Au1",
"formula_reduced": "Ba2ZnAu",
"formula_anonymous": "ABC2",
"energy": -4.65063535,
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"updated_at": "2021-11-28T01:35:32.175000Z",
"spacegroup": 71
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{
"id": "mp-1093904",
"created_at": "2022-09-04T14:39:11.015889Z",
"structure_string": "Rb1 Na2 Bi1\n1.0\n-6.919010 7.225098 10.180580\n6.919010 -7.225098 10.180580\n6.919010 7.225098 -10.180580\nRb Na Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.276311 0.276311 Na\n0.000000 0.723689 0.723689 Na\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"density": 0.27768589762394347,
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"volume": 2035.730168763272,
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"formula_full": "Rb1 Na2 Bi1",
"formula_reduced": "RbNa2Bi",
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"updated_at": "2021-11-28T01:34:40.386000Z",
"spacegroup": 71
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{
"id": "mp-63",
"created_at": "2022-09-04T14:39:15.625470Z",
"structure_string": "Pr1\n1.0\n-2.087273 2.087273 2.087273\n2.087273 -2.087273 2.087273\n2.087273 2.087273 -2.087273\nPr\n1\ndirect\n0.000000 0.000000 0.000000 Pr\n",
"nsites": 1,
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"elements": [
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"volume": 36.374560722629674,
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"updated_at": "2021-11-28T01:34:43.023000Z",
"spacegroup": 229
},
{
"id": "mp-976292",
"created_at": "2022-09-04T14:44:41.939698Z",
"structure_string": "Na1 Cu1\n1.0\n1.418297 -2.456563 0.000000\n1.418297 2.456563 0.000000\n0.000000 0.000000 4.960376\nNa Cu\n1 1\ndirect\n0.666667 0.333333 0.000000 Na\n0.000000 0.000000 0.500000 Cu\n",
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"volume": 34.565248527674896,
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},
{
"id": "mp-1096496",
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"structure_string": "Na1 Zn2 Au1\n1.0\n-5.457809 5.861990 8.271718\n5.457809 -5.861990 8.271718\n5.457809 5.861990 -8.271718\nNa Zn Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.266889 0.266889 Zn\n0.000000 0.733111 0.733111 Zn\n0.000000 0.500000 0.500000 Au\n",
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"volume": 1058.5688686482943,
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{
"id": "mp-1096468",
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"structure_string": "Li1 Zn2 Cu1\n1.0\n-4.662553 5.057437 6.532385\n4.662553 -5.057437 6.532385\n4.662553 5.057437 -6.532385\nLi Zn Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.741262 0.000000 0.741262 Zn\n0.258738 0.000000 0.258738 Zn\n0.500000 0.000000 0.500000 Cu\n",
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]
}