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{
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"results": [
{
"id": "mp-1096148",
"created_at": "2022-09-04T14:47:28.760524Z",
"structure_string": "Ba2 Zn1 Hg1\n1.0\n-6.820881 6.854115 9.634875\n6.820881 -6.854115 9.634875\n6.820881 6.854115 -9.634875\nBa Zn Hg\n2 1 1\ndirect\n0.251619 0.000000 0.251619 Ba\n0.748381 0.000000 0.748381 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Hg\n",
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{
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"updated_at": "2021-11-28T01:39:43.617000Z",
"spacegroup": 71
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{
"id": "mp-1095857",
"created_at": "2022-09-04T14:46:04.234878Z",
"structure_string": "Sc2 Ag1 Pd1\n1.0\n-5.175658 5.856797 8.356656\n5.175658 -5.856797 8.356656\n5.175658 5.856797 -8.356656\nSc Ag Pd\n2 1 1\ndirect\n0.000000 0.227409 0.227409 Sc\n0.000000 0.772591 0.772591 Sc\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n",
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"density": 0.498528605110341,
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"volume": 1013.253840872088,
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"formula_full": "Sc2 Ag1 Pd1",
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"energy": -13.7171912,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:19.167000Z",
"spacegroup": 71
},
{
"id": "mp-1095898",
"created_at": "2022-09-04T14:40:13.976418Z",
"structure_string": "Sc2 Ge1 Pd1\n1.0\n-4.997997 5.621156 7.970599\n4.997997 -5.621156 7.970599\n4.997997 5.621156 -7.970599\nSc Ge Pd\n2 1 1\ndirect\n0.000000 0.249376 0.249376 Sc\n0.000000 0.750624 0.750624 Sc\n0.000000 0.000000 0.000000 Ge\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"density": 0.49863562637724995,
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"volume": 895.7206383579758,
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"formula_full": "Sc2 Ge1 Pd1",
"formula_reduced": "Sc2GePd",
"formula_anonymous": "ABC2",
"energy": -16.09454266,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.978000Z",
"spacegroup": 71
},
{
"id": "mp-1208775",
"created_at": "2022-09-04T14:43:16.163559Z",
"structure_string": "Tb2 Ga12\n1.0\n14.555498 0.000000 0.000000\n0.000000 14.555498 0.000000\n0.000000 0.000000 18.114393\nTb Ga\n2 12\ndirect\n0.500000 0.000000 0.000000 Tb\n0.000000 0.500000 0.000000 Tb\n0.874708 0.000000 0.350698 Ga\n0.125292 0.000000 0.350698 Ga\n0.000000 0.874708 0.350698 Ga\n0.000000 0.125292 0.649302 Ga\n0.125292 0.000000 0.649302 Ga\n0.000000 0.125292 0.350698 Ga\n0.000000 0.874708 0.649302 Ga\n0.874708 0.000000 0.649302 Ga\n0.000000 0.500000 0.157768 Ga\n0.500000 0.000000 0.157768 Ga\n0.500000 0.000000 0.842232 Ga\n0.000000 0.500000 0.842232 Ga\n",
"nsites": 14,
"nelements": 2,
"elements": [
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],
"chemical_system": "Ga-Tb",
"density": 0.49954561938150904,
"density_atomic": 0.0036479603735409733,
"volume": 3837.7609859864215,
"volume_molar": 165.0824061489044,
"formula_full": "Tb2 Ga12",
"formula_reduced": "TbGa6",
"formula_anonymous": "AB6",
"energy": -23.29701445,
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"updated_at": "2021-11-28T01:36:12.019000Z",
"spacegroup": 123
},
{
"id": "mp-1096116",
"created_at": "2022-09-04T14:47:02.873884Z",
"structure_string": "Li1 Ga2 Ag1\n1.0\n-5.280662 5.321147 7.507177\n5.280662 -5.321147 7.507177\n5.280662 5.321147 -7.507177\nLi Ga Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.257557 0.257557 Ga\n0.000000 0.742443 0.742443 Ga\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
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"Ga",
"Ag"
],
"chemical_system": "Ag-Ga-Li",
"density": 0.5003670088625919,
"density_atomic": 0.004740560759539268,
"volume": 843.7820340032425,
"volume_molar": 127.03435448816583,
"formula_full": "Li1 Ga2 Ag1",
"formula_reduced": "LiGa2Ag",
"formula_anonymous": "ABC2",
"energy": -6.24877137,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:54.599000Z",
"spacegroup": 71
},
{
"id": "mp-1096091",
"created_at": "2022-09-04T14:41:32.168472Z",
"structure_string": "Y2 Al1 Ru1\n1.0\n-5.283292 5.826510 8.237526\n5.283292 -5.826510 8.237526\n5.283292 5.826510 -8.237526\nY Al Ru\n2 1 1\ndirect\n0.000000 0.278178 0.278178 Y\n0.000000 0.721822 0.721822 Y\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Ru\n",
"nsites": 4,
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"elements": [
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"Al",
"Ru"
],
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"density": 0.5007333070383341,
"density_atomic": 0.003943574877516822,
"volume": 1014.308114904796,
"volume_molar": 152.70765604917338,
"formula_full": "Y2 Al1 Ru1",
"formula_reduced": "Y2AlRu",
"formula_anonymous": "ABC2",
"energy": -16.68091226,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:21.638000Z",
"spacegroup": 71
},
{
"id": "mp-1093568",
"created_at": "2022-09-04T14:41:22.581963Z",
"structure_string": "Y1 Zn2 Pd1\n1.0\n-5.486125 5.871096 8.384230\n5.486125 -5.871096 8.384230\n5.486125 5.871096 -8.384230\nY Zn Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.280268 0.280268 Zn\n0.000000 0.719732 0.719732 Zn\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"Zn",
"Pd"
],
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"density": 0.501360639625841,
"density_atomic": 0.003702984857011826,
"volume": 1080.2096563872676,
"volume_molar": 162.62936502688396,
"formula_full": "Y1 Zn2 Pd1",
"formula_reduced": "YZn2Pd",
"formula_anonymous": "ABC2",
"energy": -7.45954186,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:19.430000Z",
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{
"id": "mp-1093719",
"created_at": "2022-09-04T14:41:13.730160Z",
"structure_string": "Mg1 Be2 Pt1\n1.0\n-4.564377 5.524395 7.794251\n4.564377 -5.524395 7.794251\n4.564377 5.524395 -7.794251\nMg Be Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.274276 0.274276 Be\n0.000000 0.725724 0.725724 Be\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"Be",
"Pt"
],
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"density": 0.5014800363964436,
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"volume": 786.1412962474649,
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"formula_full": "Mg1 Be2 Pt1",
"formula_reduced": "MgBe2Pt",
"formula_anonymous": "ABC2",
"energy": -8.13168232,
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"updated_at": "2021-11-28T01:35:26.051000Z",
"spacegroup": 71
},
{
"id": "mp-1096236",
"created_at": "2022-09-04T14:41:22.901171Z",
"structure_string": "Ba2 Ga1 Hg1\n1.0\n-6.824689 6.919959 9.552362\n6.824689 -6.919959 9.552362\n6.824689 6.919959 -9.552362\nBa Ga Hg\n2 1 1\ndirect\n0.231248 0.000000 0.231248 Ba\n0.768752 0.000000 0.768752 Ba\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"density": 0.5014898550690652,
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"volume": 1804.5010968031927,
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"formula_full": "Ba2 Ga1 Hg1",
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"updated_at": "2021-11-28T01:35:11.568000Z",
"spacegroup": 71
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{
"id": "mp-1093874",
"created_at": "2022-09-04T14:39:25.058330Z",
"structure_string": "Cs2 Hg1 Se1\n1.0\n-6.697850 7.178748 9.387621\n6.697850 -7.178748 9.387621\n6.697850 7.178748 -9.387621\nCs Hg Se\n2 1 1\ndirect\n0.786125 0.000000 0.786125 Cs\n0.213875 0.000000 0.213875 Cs\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Se\n",
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"volume": 1805.509029080899,
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"formula_full": "Cs2 Hg1 Se1",
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{
"id": "mp-1214268",
"created_at": "2022-09-04T14:45:42.717154Z",
"structure_string": "Ca2 Mn1 Si2\n1.0\n6.675490 0.000000 0.000000\n0.000000 6.675490 0.000000\n0.000000 0.000000 14.205459\nCa Mn Si\n2 1 2\ndirect\n0.500000 0.500000 0.633490 Ca\n0.500000 0.500000 0.366510 Ca\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.161603 Si\n0.500000 0.500000 0.838397 Si\n",
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"volume": 633.0260325776542,
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"formula_full": "Ca2 Mn1 Si2",
"formula_reduced": "Ca2MnSi2",
"formula_anonymous": "AB2C2",
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"updated_at": "2021-11-28T01:37:19.082000Z",
"spacegroup": 123
}
]
}