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{
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"results": [
{
"id": "mp-1016267",
"created_at": "2022-09-04T14:39:21.304415Z",
"structure_string": "Cs2 Mg12 Cd2\n1.0\n5.371938 0.000000 0.000000\n0.000000 7.210644 0.000000\n0.000000 0.000000 12.041505\nCs Mg Cd\n2 12 2\ndirect\n0.000000 0.500000 0.332685 Cs\n0.000000 0.000000 0.832685 Cs\n0.000000 0.253344 0.081495 Mg\n0.000000 0.746656 0.081495 Mg\n0.000000 0.500000 0.838885 Mg\n0.500000 0.282894 0.928295 Mg\n0.500000 0.717106 0.928295 Mg\n0.500000 0.500000 0.666290 Mg\n0.000000 0.753344 0.581495 Mg\n0.000000 0.246656 0.581495 Mg\n0.000000 0.000000 0.338885 Mg\n0.500000 0.782894 0.428295 Mg\n0.500000 0.217106 0.428295 Mg\n0.500000 0.000000 0.166290 Mg\n0.500000 0.500000 0.142558 Cd\n0.500000 0.000000 0.642558 Cd\n",
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"spacegroup": 38
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{
"id": "mp-1097661",
"created_at": "2022-09-04T14:44:58.974930Z",
"structure_string": "Li1 Y1 Cd2\n1.0\n-5.867786 6.314595 8.886582\n5.867786 -6.314595 8.886582\n5.867786 6.314595 -8.886582\nLi Y Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Y\n0.000000 0.236450 0.236450 Cd\n0.000000 0.763550 0.763550 Cd\n",
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],
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"density": 0.40428847376284155,
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"formula_full": "Li1 Y1 Cd2",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:46.109000Z",
"spacegroup": 71
},
{
"id": "mp-1095817",
"created_at": "2022-09-04T14:45:17.366174Z",
"structure_string": "Na2 Hg1 Au1\n1.0\n-5.919935 5.954589 8.402815\n5.919935 -5.954589 8.402815\n5.919935 5.954589 -8.402815\nNa Hg Au\n2 1 1\ndirect\n0.000000 0.235932 0.235932 Na\n0.000000 0.764068 0.764068 Na\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"Au"
],
"chemical_system": "Au-Hg-Na",
"density": 0.6216193943301092,
"density_atomic": 0.0033760313348009663,
"volume": 1184.8231261265291,
"volume_molar": 178.3792910309298,
"formula_full": "Na2 Hg1 Au1",
"formula_reduced": "Na2HgAu",
"formula_anonymous": "ABC2",
"energy": -4.68573763,
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"band_gap": 0.0956999999999999,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.142000Z",
"spacegroup": 71
},
{
"id": "mp-1226137",
"created_at": "2022-09-04T14:41:51.813703Z",
"structure_string": "Cu2 Hg1 I4\n1.0\n10.035405 -17.380747 0.000000\n10.035405 17.380747 0.000000\n0.000000 0.000000 8.154920\nCu Hg I\n2 1 4\ndirect\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Hg\n0.666649 0.333351 0.835930 I\n0.333351 0.666649 0.835930 I\n0.333351 0.666649 0.164070 I\n0.666649 0.333351 0.164070 I\n",
"nsites": 7,
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"elements": [
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],
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"density": 0.48757168192239914,
"density_atomic": 0.0024606225372604293,
"volume": 2844.8085368646402,
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"formula_full": "Cu2 Hg1 I4",
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"formula_anonymous": "AB2C4",
"energy": -8.199103860000001,
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"updated_at": "2021-11-28T01:35:31.029000Z",
"spacegroup": 65
},
{
"id": "mp-1093819",
"created_at": "2022-09-04T14:43:13.989575Z",
"structure_string": "Li1 Sc1 Cd2\n1.0\n-5.902189 6.108814 8.829955\n5.902189 -6.108814 8.829955\n5.902189 6.108814 -8.829955\nLi Sc Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Sc\n0.000000 0.237462 0.237462 Cd\n0.000000 0.762538 0.762538 Cd\n",
"nsites": 4,
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"elements": [
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"Sc",
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],
"chemical_system": "Cd-Li-Sc",
"density": 0.36082734512179976,
"density_atomic": 0.0031410257396957443,
"volume": 1273.4693477511778,
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"formula_full": "Li1 Sc1 Cd2",
"formula_reduced": "LiScCd2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:18.501000Z",
"spacegroup": 71
},
{
"id": "mp-1099338",
"created_at": "2022-09-04T14:48:12.040604Z",
"structure_string": "Cs1 Na1 Mg6\n1.0\n3.399543 -6.097966 0.000000\n3.399543 6.097966 0.000000\n0.000000 0.000000 5.798415\nCs Na Mg\n1 1 6\ndirect\n0.332865 0.667135 0.500000 Cs\n0.833136 0.166864 0.500000 Na\n0.328983 0.164688 0.500000 Mg\n0.835312 0.671017 0.500000 Mg\n0.164040 0.316776 0.000000 Mg\n0.683224 0.835960 0.000000 Mg\n0.664510 0.335490 0.000000 Mg\n0.157935 0.842065 0.000000 Mg\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.084087187116488,
"density_atomic": 0.03327707601553892,
"volume": 240.40573745915518,
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"formula_full": "Cs1 Na1 Mg6",
"formula_reduced": "CsNaMg6",
"formula_anonymous": "ABC6",
"energy": -9.36870199,
"energy_per_atom": -1.17108774875,
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"updated_at": "2021-11-28T01:38:40.947000Z",
"spacegroup": 38
},
{
"id": "mp-662752",
"created_at": "2022-09-04T14:42:42.501031Z",
"structure_string": "Nb2 Br10\n1.0\n6.964438 0.000000 0.000000\n-3.303522 6.780935 0.000000\n-0.198755 -3.934010 9.321405\nNb Br\n2 10\ndirect\n0.385246 0.498426 0.719716 Nb\n0.614754 0.501574 0.280284 Nb\n0.238202 0.722690 0.649323 Br\n0.770232 0.715122 0.458211 Br\n0.761798 0.277310 0.350677 Br\n0.389901 0.261083 0.174709 Br\n0.610099 0.738917 0.825291 Br\n0.449010 0.731092 0.254575 Br\n0.229768 0.284878 0.541789 Br\n0.993663 0.739860 0.076365 Br\n0.006337 0.260140 0.923635 Br\n0.550990 0.268908 0.745425 Br\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Nb",
"Br"
],
"chemical_system": "Br-Nb",
"density": 3.715038921848042,
"density_atomic": 0.0272598969908708,
"volume": 440.207092639372,
"volume_molar": 22.091575628538816,
"formula_full": "Nb2 Br10",
"formula_reduced": "NbBr5",
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"spacegroup": 2
},
{
"id": "mp-1096035",
"created_at": "2022-09-04T14:40:21.433273Z",
"structure_string": "Ca2 Tl1 Ag1\n1.0\n-6.243514 6.634311 9.606341\n6.243514 -6.634311 9.606341\n6.243514 6.634311 -9.606341\nCa Tl Ag\n2 1 1\ndirect\n0.000000 0.239583 0.239583 Ca\n0.000000 0.760417 0.760417 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.4093959013381502,
"density_atomic": 0.0025131423280925222,
"volume": 1591.6328953147688,
"volume_molar": 239.62593334579708,
"formula_full": "Ca2 Tl1 Ag1",
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"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "mp-1093564",
"created_at": "2022-09-04T14:48:19.937106Z",
"structure_string": "Li1 Mg1 Ga2\n1.0\n-5.440809 5.469153 7.751958\n5.440809 -5.469153 7.751958\n5.440809 5.469153 -7.751958\nLi Mg Ga\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Mg\n0.245791 0.000000 0.245791 Ga\n0.754209 0.000000 0.754209 Ga\n",
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],
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"density": 0.307190166228093,
"density_atomic": 0.004335159050811227,
"volume": 922.688176631372,
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"formula_full": "Li1 Mg1 Ga2",
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{
"id": "mp-1093949",
"created_at": "2022-09-04T14:43:01.651179Z",
"structure_string": "Ba2 Tl1 Ag1\n1.0\n-6.535605 7.203527 10.191483\n6.535605 -7.203527 10.191483\n6.535605 7.203527 -10.191483\nBa Tl Ag\n2 1 1\ndirect\n0.000000 0.245613 0.245613 Ba\n0.000000 0.754387 0.754387 Ba\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ag\n",
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"volume": 1919.2359075761062,
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"formula_full": "Ba2 Tl1 Ag1",
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"updated_at": "2021-11-28T01:36:06.637000Z",
"spacegroup": 71
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{
"id": "mp-1408",
"created_at": "2022-09-04T14:47:55.747892Z",
"structure_string": "Mg1 Hg1\n1.0\n3.499559 0.000000 0.000000\n0.000000 3.499559 0.000000\n0.000000 0.000000 3.499559\nMg Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Hg\n",
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"formula_full": "Mg1 Hg1",
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"updated_at": "2021-11-28T01:38:18.130000Z",
"spacegroup": 221
},
{
"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",
"nsites": 4,
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"volume": 2469.9244249414974,
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"formula_full": "K2 Rb1 Bi1",
"formula_reduced": "K2RbBi",
"formula_anonymous": "ABC2",
"energy": -4.66687083,
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"updated_at": "2021-11-28T01:35:38.162000Z",
"spacegroup": 71
}
]
}