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{
"id": "mp-1096416",
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{
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"structure_string": "Rb1 I1\n1.0\n4.487542 0.000000 0.000000\n0.000000 4.487542 0.000000\n0.000000 0.000000 4.487542\nRb I\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 I\n",
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{
"id": "mp-22924",
"created_at": "2022-09-04T14:47:46.728073Z",
"structure_string": "Na1 Bi1\n1.0\n3.430193 0.000000 0.000000\n0.000000 3.430193 0.000000\n0.000000 0.000000 4.939507\nNa Bi\n1 1\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Bi\n",
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"volume": 58.11934589676955,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:38:21.376000Z",
"spacegroup": 123
},
{
"id": "mp-1185099",
"created_at": "2022-09-04T14:47:13.947583Z",
"structure_string": "K2 Hg6\n1.0\n3.575262 -6.192535 0.000000\n3.575262 6.192535 0.000000\n0.000000 0.000000 5.768071\nK Hg\n2 6\ndirect\n0.666667 0.333333 0.250000 K\n0.333333 0.666667 0.750000 K\n0.312108 0.156054 0.750000 Hg\n0.843946 0.687892 0.750000 Hg\n0.156054 0.843946 0.250000 Hg\n0.687892 0.843946 0.250000 Hg\n0.156054 0.312108 0.250000 Hg\n0.843946 0.156054 0.750000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"density": 8.333183536537417,
"density_atomic": 0.03132225716471563,
"volume": 255.40943482872495,
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"formula_full": "K2 Hg6",
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"updated_at": "2021-11-28T01:38:04.767000Z",
"spacegroup": 194
},
{
"id": "mp-1097077",
"created_at": "2022-09-04T14:47:31.618638Z",
"structure_string": "In2 Hg1 Pb1\n1.0\n-5.808414 6.305594 8.935032\n5.808414 -6.305594 8.935032\n5.808414 6.305594 -8.935032\nIn Hg Pb\n2 1 1\ndirect\n0.000000 0.256258 0.256258 In\n0.000000 0.743742 0.743742 In\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"density": 0.8086101715758113,
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"volume": 1309.0000747873778,
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"formula_full": "In2 Hg1 Pb1",
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"updated_at": "2021-11-28T01:38:10.581000Z",
"spacegroup": 71
},
{
"id": "mp-1186819",
"created_at": "2022-09-04T14:39:48.209360Z",
"structure_string": "Rb4 Mg2\n1.0\n2.226736 9.713351 0.000000\n-2.226736 9.713351 0.000000\n0.000000 2.322908 8.675127\nRb Mg\n4 2\ndirect\n0.880628 0.880628 0.561835 Rb\n0.119372 0.119372 0.438165 Rb\n0.842923 0.842923 0.092759 Rb\n0.157077 0.157077 0.907241 Rb\n0.497669 0.497669 0.824409 Mg\n0.502331 0.502331 0.175591 Mg\n",
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"elements": [
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"density": 1.7278481670040944,
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"volume": 375.269829696391,
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"formula_full": "Rb4 Mg2",
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"updated_at": "2021-11-28T01:34:25.801000Z",
"spacegroup": 12
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{
"id": "mp-1058019",
"created_at": "2022-09-04T14:48:12.315022Z",
"structure_string": "Br1 N1\n1.0\n0.000000 2.442381 2.442381\n2.442381 0.000000 2.442381\n2.442381 2.442381 0.000000\nBr N\n1 1\ndirect\n0.500000 0.500000 0.500000 Br\n0.000000 0.000000 0.000000 N\n",
"nsites": 2,
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"elements": [
"Br",
"N"
],
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"density": 5.351726875098167,
"density_atomic": 0.0686372320982672,
"volume": 29.13870415311359,
"volume_molar": 8.773868898702332,
"formula_full": "Br1 N1",
"formula_reduced": "BrN",
"formula_anonymous": "AB",
"energy": -5.81391963,
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"updated_at": "2021-11-28T01:38:32.369000Z",
"spacegroup": 225
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{
"id": "mp-1229093",
"created_at": "2022-09-04T14:45:21.496545Z",
"structure_string": "Ag2 Hg1\n1.0\n1.545755 -2.677327 0.000000\n1.545755 2.677327 0.000000\n0.000000 0.000000 7.243981\nAg Hg\n2 1\ndirect\n0.333333 0.666667 0.657450 Ag\n0.666667 0.333333 0.342550 Ag\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
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"elements": [
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"Hg"
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"chemical_system": "Ag-Hg",
"density": 11.530115896660353,
"density_atomic": 0.0500347666634625,
"volume": 59.9583089929892,
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"formula_full": "Ag2 Hg1",
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"updated_at": "2021-11-28T01:37:06.251000Z",
"spacegroup": 164
},
{
"id": "mp-982665",
"created_at": "2022-09-04T14:46:41.693655Z",
"structure_string": "K3 In1\n1.0\n5.832444 0.000000 0.000000\n0.000000 5.832444 0.000000\n0.000000 0.000000 5.832444\nK In\n3 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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"elements": [
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"density": 1.9426593032810324,
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"volume": 198.40459809954694,
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"energy": -5.81672259,
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{
"id": "mp-1093860",
"created_at": "2022-09-04T14:46:10.828680Z",
"structure_string": "Li2 Ga1 Ag1\n1.0\n-5.379452 5.470241 7.710886\n5.379452 -5.470241 7.710886\n5.379452 5.470241 -7.710886\nLi Ga Ag\n2 1 1\ndirect\n0.000000 0.258425 0.258425 Li\n0.000000 0.741575 0.741575 Li\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"density": 0.350306601953431,
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"volume": 907.6298506334816,
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"formula_full": "Li2 Ga1 Ag1",
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{
"id": "mp-1061530",
"created_at": "2022-09-04T14:39:12.704043Z",
"structure_string": "Rb1 Se1\n1.0\n0.000000 3.536012 3.536012\n3.536012 0.000000 3.536012\n3.536012 3.536012 0.000000\nRb Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Se\n",
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{
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"structure_string": "Hg1 Pd1\n1.0\n3.082769 0.000000 0.000000\n0.000000 3.082769 0.000000\n0.000000 0.000000 3.827903\nHg Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Pd\n",
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]
}