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{
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{
"id": "mp-1185107",
"created_at": "2022-09-04T14:41:09.911449Z",
"structure_string": "K1 Rb3\n1.0\n0.000000 5.581264 5.581264\n5.581264 0.000000 5.581264\n5.581264 5.581264 0.000000\nK Rb\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n",
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{
"id": "mp-1185029",
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"structure_string": "K3 Zn1\n1.0\n0.000000 4.693611 4.693611\n4.693611 0.000000 4.693611\n4.693611 4.693611 0.000000\nK Zn\n3 1\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Zn\n",
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"spacegroup": 225
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{
"id": "mp-1186828",
"created_at": "2022-09-04T14:42:06.839816Z",
"structure_string": "Rb4 Mg2\n1.0\n2.323554 7.696706 0.000000\n-2.323554 7.696706 0.000000\n0.000000 4.192199 10.371444\nRb Mg\n4 2\ndirect\n0.170490 0.170490 0.863008 Rb\n0.829510 0.829510 0.136992 Rb\n0.517558 0.517558 0.309037 Rb\n0.482442 0.482442 0.690963 Rb\n0.201836 0.201836 0.456970 Mg\n0.798164 0.798164 0.543030 Mg\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Mg-Rb",
"density": 1.7479231594618512,
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"volume": 370.95983531248567,
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"formula_full": "Rb4 Mg2",
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"updated_at": "2021-11-28T01:35:42.763000Z",
"spacegroup": 12
},
{
"id": "mp-1097540",
"created_at": "2022-09-04T14:42:20.579653Z",
"structure_string": "Tl1 Hg2 Bi1\n1.0\n-5.881710 6.339604 8.799459\n5.881710 -6.339604 8.799459\n5.881710 6.339604 -8.799459\nTl Hg Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.000000 0.255558 0.255558 Hg\n0.000000 0.744442 0.744442 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"Hg",
"Bi"
],
"chemical_system": "Bi-Hg-Tl",
"density": 1.0305801770902125,
"density_atomic": 0.0030477426284422804,
"volume": 1312.4467803386744,
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"formula_full": "Tl1 Hg2 Bi1",
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"updated_at": "2021-11-28T01:35:46.212000Z",
"spacegroup": 71
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{
"id": "mp-1097489",
"created_at": "2022-09-04T14:48:15.291520Z",
"structure_string": "Ba1 Na2 Pb1\n1.0\n-6.957831 7.719183 10.711220\n6.957831 -7.719183 10.711220\n6.957831 7.719183 -10.711220\nBa Na Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.284857 0.284857 Na\n0.000000 0.715143 0.715143 Na\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 0.2817949875851593,
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"volume": 2301.145838676975,
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"formula_full": "Ba1 Na2 Pb1",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:46.977000Z",
"spacegroup": 71
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{
"id": "mp-1097361",
"created_at": "2022-09-04T14:46:21.410315Z",
"structure_string": "Na1 Hg2 Au1\n1.0\n-5.712176 6.060715 8.545684\n5.712176 -6.060715 8.545684\n5.712176 6.060715 -8.545684\nNa Hg Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.258092 0.258092 Hg\n0.000000 0.741908 0.741908 Hg\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"Hg",
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"density": 0.8715730074526999,
"density_atomic": 0.003380085827755567,
"volume": 1183.4019027428267,
"volume_molar": 178.16532084922832,
"formula_full": "Na1 Hg2 Au1",
"formula_reduced": "NaHg2Au",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:33.520000Z",
"spacegroup": 71
},
{
"id": "mp-998881",
"created_at": "2022-09-04T14:42:23.500908Z",
"structure_string": "K1\n1.0\n4.323110 0.000000 0.000000\n0.000000 4.323110 0.000000\n0.000000 0.000000 4.323110\nK\n1\ndirect\n0.000000 0.000000 0.000000 K\n",
"nsites": 1,
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"elements": [
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"chemical_system": "K",
"density": 0.803559636532303,
"density_atomic": 0.012376878897354294,
"volume": 80.79581357249621,
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"formula_full": "K1",
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"formula_anonymous": "A",
"energy": -0.99023383,
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"updated_at": "2021-11-28T01:35:45.947000Z",
"spacegroup": 221
},
{
"id": "mp-973508",
"created_at": "2022-09-04T14:45:26.529025Z",
"structure_string": "K1 Rb3\n1.0\n-3.434165 3.434165 7.371262\n3.434165 -3.434165 7.371262\n3.434165 3.434165 -7.371262\nK Rb\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Rb"
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"density": 1.4111231822949073,
"density_atomic": 0.011503124938253546,
"volume": 347.731596541913,
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"formula_full": "K1 Rb3",
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"energy": -3.95977705,
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"updated_at": "2021-11-28T01:37:04.444000Z",
"spacegroup": 139
},
{
"id": "mp-1096017",
"created_at": "2022-09-04T14:44:15.956845Z",
"structure_string": "Na1 Hg2 Sb1\n1.0\n-6.044120 6.155135 8.693754\n6.044120 -6.155135 8.693754\n6.044120 6.155135 -8.693754\nNa Hg Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.245599 0.245599 Hg\n0.000000 0.754401 0.754401 Hg\n0.000000 0.500000 0.500000 Sb\n",
"nsites": 4,
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"density": 0.7007254237105426,
"density_atomic": 0.0030918754569615797,
"volume": 1293.7131704298479,
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"formula_full": "Na1 Hg2 Sb1",
"formula_reduced": "NaHg2Sb",
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"spacegroup": 71
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{
"id": "mp-1185168",
"created_at": "2022-09-04T14:44:40.958079Z",
"structure_string": "K2 Rb6\n1.0\n5.042309 -8.733535 0.000000\n5.042309 8.733535 0.000000\n0.000000 0.000000 7.918306\nK Rb\n2 6\ndirect\n0.666667 0.333333 0.250000 K\n0.333333 0.666667 0.750000 K\n0.830993 0.169007 0.750000 Rb\n0.338014 0.169007 0.750000 Rb\n0.830993 0.661986 0.750000 Rb\n0.169007 0.830993 0.250000 Rb\n0.661986 0.830993 0.250000 Rb\n0.169007 0.338014 0.250000 Rb\n",
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"elements": [
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"updated_at": "2021-11-28T01:36:41.591000Z",
"spacegroup": 194
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{
"id": "mp-1095921",
"created_at": "2022-09-04T14:44:08.702452Z",
"structure_string": "Li1 Zn2 Ag1\n1.0\n-5.234082 5.439372 7.688627\n5.234082 -5.439372 7.688627\n5.234082 5.439372 -7.688627\nLi Zn Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.251423 0.251423 Zn\n0.000000 0.748577 0.748577 Zn\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"volume": 875.5845048992948,
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"formula_full": "Li1 Zn2 Ag1",
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"updated_at": "2021-11-28T01:36:36.744000Z",
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{
"id": "mp-1097331",
"created_at": "2022-09-04T14:41:50.025274Z",
"structure_string": "Li2 Ca1 Ga1\n1.0\n-6.121594 6.198088 8.640306\n6.121594 -6.198088 8.640306\n6.121594 6.198088 -8.640306\nLi Ca Ga\n2 1 1\ndirect\n0.718208 0.000000 0.718208 Li\n0.281792 0.000000 0.281792 Li\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Ga\n",
"nsites": 4,
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"volume": 1311.3281236983746,
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"formula_full": "Li2 Ca1 Ga1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:26.326000Z",
"spacegroup": 71
}
]
}