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"results": [
{
"id": "mp-1097263",
"created_at": "2022-09-04T14:40:04.674921Z",
"structure_string": "Cs2 Rb1 Na1\n1.0\n-9.003587 9.034610 12.769176\n9.003587 -9.034610 12.769176\n9.003587 9.034610 -12.769176\nCs Rb Na\n2 1 1\ndirect\n0.229629 0.000000 0.229629 Cs\n0.770371 0.000000 0.770371 Cs\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Na\n",
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{
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"structure_string": "K2\n1.0\n3.129391 3.113852 0.000000\n-3.129391 3.113852 0.000000\n0.000000 2.991758 7.891759\nK\n2\ndirect\n0.363817 0.636183 0.750000 K\n0.636183 0.363817 0.250000 K\n",
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"elements": [
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"updated_at": "2021-11-28T01:35:27.287000Z",
"spacegroup": 15
},
{
"id": "mp-1186898",
"created_at": "2022-09-04T14:43:39.965821Z",
"structure_string": "Rb1 Yb1\n1.0\n2.129637 -3.688639 0.000000\n2.129637 3.688639 0.000000\n0.000000 0.000000 7.575161\nRb Yb\n1 1\ndirect\n0.000000 0.000000 0.500000 Rb\n0.666667 0.333333 0.000000 Yb\n",
"nsites": 2,
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"elements": [
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"volume": 119.0127801835457,
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"formula_full": "Rb1 Yb1",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.266000Z",
"spacegroup": 187
},
{
"id": "mp-1097299",
"created_at": "2022-09-04T14:47:28.089918Z",
"structure_string": "Rb2 Na1 Hg1\n1.0\n-7.163023 7.764362 10.125819\n7.163023 -7.764362 10.125819\n7.163023 7.764362 -10.125819\nRb Na Hg\n2 1 1\ndirect\n0.249841 0.000000 0.249841 Rb\n0.750159 0.000000 0.750159 Rb\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
"chemical_system": "Hg-Na-Rb",
"density": 0.29081764404862437,
"density_atomic": 0.001775692330317945,
"volume": 2252.642494256752,
"volume_molar": 339.14325455929134,
"formula_full": "Rb2 Na1 Hg1",
"formula_reduced": "Rb2NaHg",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:12.453000Z",
"spacegroup": 71
},
{
"id": "mp-1180961",
"created_at": "2022-09-04T14:46:53.432617Z",
"structure_string": "K2\n1.0\n-2.213986 2.213986 7.907082\n2.213986 -2.213986 7.907082\n2.213986 2.213986 -7.907082\nK\n2\ndirect\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "K",
"density": 0.8375504824566326,
"density_atomic": 0.012900425084217978,
"volume": 155.03365097997775,
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"formula_full": "K2",
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"energy": -2.07759152,
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"updated_at": "2021-11-28T01:37:41.111000Z",
"spacegroup": 141
},
{
"id": "mp-1096338",
"created_at": "2022-09-04T14:48:26.039636Z",
"structure_string": "Na1 Li1 Hg2\n1.0\n-5.910205 5.980608 8.459492\n5.910205 -5.980608 8.459492\n5.910205 5.980608 -8.459492\nNa Li Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Li\n0.000000 0.233214 0.233214 Hg\n0.000000 0.766786 0.766786 Hg\n",
"nsites": 4,
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"elements": [
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"Li",
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"chemical_system": "Hg-Li-Na",
"density": 0.5985298458138731,
"density_atomic": 0.0033443200575273323,
"volume": 1196.0577729385905,
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"formula_full": "Na1 Li1 Hg2",
"formula_reduced": "NaLiHg2",
"formula_anonymous": "ABC2",
"energy": -2.08205359,
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"band_gap": 0.1269999999999997,
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"updated_at": "2021-11-28T01:39:13.688000Z",
"spacegroup": 71
},
{
"id": "mp-1097512",
"created_at": "2022-09-04T14:45:27.498653Z",
"structure_string": "Li1 Zn1 Cd2\n1.0\n-5.675663 5.681286 8.029482\n5.675663 -5.681286 8.029482\n5.675663 5.681286 -8.029482\nLi Zn Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Zn\n0.000000 0.248695 0.248695 Cd\n0.000000 0.751305 0.751305 Cd\n",
"nsites": 4,
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"elements": [
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"Cd"
],
"chemical_system": "Cd-Li-Zn",
"density": 0.47648168417414144,
"density_atomic": 0.0038623285809566994,
"volume": 1035.6446677587435,
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"formula_full": "Li1 Zn1 Cd2",
"formula_reduced": "LiZnCd2",
"formula_anonymous": "ABC2",
"energy": -2.0900981,
"energy_per_atom": -0.522524525,
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"updated_at": "2021-11-28T01:37:01.075000Z",
"spacegroup": 71
},
{
"id": "mp-11299",
"created_at": "2022-09-04T14:40:25.393244Z",
"structure_string": "Cd2 Hg1\n1.0\n-2.021784 2.021784 4.422565\n2.021784 -2.021784 4.422565\n2.021784 2.021784 -4.422565\nCd Hg\n2 1\ndirect\n0.333375 0.333375 0.000000 Cd\n0.666625 0.666625 0.000000 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
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"elements": [
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"Hg"
],
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"density": 9.769112416872575,
"density_atomic": 0.04148752510154943,
"volume": 72.31089327832571,
"volume_molar": 14.515545926780508,
"formula_full": "Cd2 Hg1",
"formula_reduced": "Cd2Hg",
"formula_anonymous": "AB2",
"energy": -2.10430577,
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"updated_at": "2021-11-28T01:35:02.978000Z",
"spacegroup": 139
},
{
"id": "mp-1056079",
"created_at": "2022-09-04T14:42:54.420688Z",
"structure_string": "Cu1\n1.0\n2.289597 0.000000 0.000000\n0.000000 11.842895 0.000000\n0.000000 4.704599 22.255763\nCu\n1\ndirect\n0.500000 0.500000 0.500000 Cu\n",
"nsites": 1,
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"elements": [
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"chemical_system": "Cu",
"density": 0.17485493810818842,
"density_atomic": 0.0016570689740227449,
"volume": 603.4751815866622,
"volume_molar": 363.42124886814395,
"formula_full": "Cu1",
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"formula_anonymous": "A",
"energy": -2.11627218,
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"band_gap": 1.0,
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"updated_at": "2021-11-28T01:35:51.816000Z",
"spacegroup": 10
},
{
"id": "mp-1097658",
"created_at": "2022-09-04T14:44:09.740267Z",
"structure_string": "Ba1 Na2 Sr1\n1.0\n-7.484931 7.808815 10.604926\n7.484931 -7.808815 10.604926\n7.484931 7.808815 -10.604926\nBa Na Sr\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Ba\n0.246913 0.000000 0.246913 Na\n0.753087 0.000000 0.753087 Na\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ba-Na-Sr",
"density": 0.18145129703615767,
"density_atomic": 0.0016133159313544878,
"volume": 2479.3655862814976,
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"formula_full": "Ba1 Na2 Sr1",
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"formula_anonymous": "ABC2",
"energy": -2.11794879,
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"updated_at": "2021-11-28T01:36:26.066000Z",
"spacegroup": 71
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{
"id": "mp-1095995",
"created_at": "2022-09-04T14:40:56.137544Z",
"structure_string": "Na1 Tl1 Hg2\n1.0\n-5.949219 6.021277 8.548806\n5.949219 -6.021277 8.548806\n5.949219 6.021277 -8.548806\nNa Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Tl\n0.248512 0.000000 0.248512 Hg\n0.751488 0.000000 0.751488 Hg\n",
"nsites": 4,
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"density": 0.8520734493816344,
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"volume": 1224.9377418440108,
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"formula_full": "Na1 Tl1 Hg2",
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"spacegroup": 71
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{
"id": "mp-1095761",
"created_at": "2022-09-04T14:41:10.940089Z",
"structure_string": "Li1 Mg1 Zn2\n1.0\n-5.582149 5.604890 7.895334\n5.582149 -5.604890 7.895334\n5.582149 5.604890 -7.895334\nLi Mg Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Mg\n0.241277 0.000000 0.241277 Zn\n0.758723 0.000000 0.758723 Zn\n",
"nsites": 4,
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"density": 0.2723558040525309,
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"volume": 988.095716284265,
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"formula_full": "Li1 Mg1 Zn2",
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"updated_at": "2021-11-28T01:35:08.084000Z",
"spacegroup": 71
}
]
}