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{
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{
"id": "mp-11464",
"created_at": "2022-09-04T14:41:50.398132Z",
"structure_string": "Mg1 Hg2\n1.0\n-1.957061 1.957061 4.481986\n1.957061 -1.957061 4.481986\n1.957061 1.957061 -4.481986\nMg Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666520 0.666520 0.000000 Hg\n0.333480 0.333480 0.000000 Hg\n",
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{
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"updated_at": "2021-11-28T01:38:14.504000Z",
"spacegroup": 191
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{
"id": "mp-11462",
"created_at": "2022-09-04T14:41:46.951067Z",
"structure_string": "K4 Hg4\n1.0\n6.729686 0.000000 0.000000\n-0.045223 7.114579 0.000000\n-1.494488 -2.325963 6.694472\nK Hg\n4 4\ndirect\n0.317297 0.203586 0.861330 K\n0.682703 0.796414 0.138670 K\n0.760999 0.347139 0.557069 K\n0.239001 0.652861 0.442931 K\n0.139766 0.722882 0.937049 Hg\n0.860234 0.277118 0.062951 Hg\n0.796499 0.895820 0.696011 Hg\n0.203501 0.104180 0.303989 Hg\n",
"nsites": 8,
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"elements": [
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"density": 4.967016325346754,
"density_atomic": 0.024959141917893436,
"volume": 320.5238395741773,
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"formula_full": "K4 Hg4",
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"updated_at": "2021-11-28T01:35:24.933000Z",
"spacegroup": 2
},
{
"id": "mp-11461",
"created_at": "2022-09-04T14:45:06.711896Z",
"structure_string": "Ho1 Hg2\n1.0\n2.474289 -4.285595 0.000000\n2.474289 4.285595 0.000000\n0.000000 0.000000 3.430643\nHo Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.666667 0.333333 0.500000 Hg\n0.333333 0.666667 0.500000 Hg\n",
"nsites": 3,
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"elements": [
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"density": 12.920612324965877,
"density_atomic": 0.04123387795857074,
"volume": 72.7557083768404,
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"formula_full": "Ho1 Hg2",
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"updated_at": "2021-11-28T01:36:52.875000Z",
"spacegroup": 191
},
{
"id": "mp-11460",
"created_at": "2022-09-04T14:44:26.155425Z",
"structure_string": "Hf1 Tc1\n1.0\n3.266016 0.000000 0.000000\n0.000000 3.266016 0.000000\n0.000000 0.000000 3.266016\nHf Tc\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Tc\n",
"nsites": 2,
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"formula_full": "Hf1 Tc1",
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"updated_at": "2021-11-28T01:36:37.003000Z",
"spacegroup": 221
},
{
"id": "mp-1146",
"created_at": "2022-09-04T14:45:28.107371Z",
"structure_string": "Th4 S8\n1.0\n4.299544 0.000000 0.000000\n0.000000 7.277974 0.000000\n0.000000 0.000000 8.650010\nTh S\n4 8\ndirect\n0.750000 0.249712 0.382752 Th\n0.250000 0.750288 0.617248 Th\n0.750000 0.749712 0.117248 Th\n0.250000 0.250288 0.882752 Th\n0.750000 0.639433 0.429221 S\n0.250000 0.360567 0.570779 S\n0.750000 0.139433 0.070779 S\n0.250000 0.860567 0.929221 S\n0.750000 0.527573 0.835017 S\n0.250000 0.472427 0.164983 S\n0.750000 0.027573 0.664983 S\n0.250000 0.972427 0.335017 S\n",
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"elements": [
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"density": 7.267713561241484,
"density_atomic": 0.04433347142593509,
"volume": 270.67584860904884,
"volume_molar": 13.583733838801187,
"formula_full": "Th4 S8",
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"total_magnetization": 1.82e-05,
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"updated_at": "2021-11-28T01:36:57.375000Z",
"spacegroup": 62
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{
"id": "mp-11457",
"created_at": "2022-09-04T14:39:12.488178Z",
"structure_string": "Hf1 Rh1\n1.0\n3.277040 0.000000 0.000000\n0.000000 3.277040 0.000000\n0.000000 0.000000 3.277040\nHf Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Rh\n",
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"density": 13.277643936174565,
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"formula_full": "Hf1 Rh1",
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"updated_at": "2021-11-28T01:34:34.651000Z",
"spacegroup": 221
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{
"id": "mp-11456",
"created_at": "2022-09-04T14:47:04.610418Z",
"structure_string": "Hf4 Pt12\n1.0\n2.855268 -4.945470 0.000000\n2.855268 4.945470 0.000000\n0.000000 0.000000 9.324887\nHf Pt\n4 12\ndirect\n0.000000 0.000000 0.500000 Hf\n0.666667 0.333333 0.750000 Hf\n0.333333 0.666667 0.250000 Hf\n0.000000 0.000000 0.000000 Hf\n0.169091 0.338181 0.750000 Pt\n0.000000 0.500000 0.000000 Pt\n0.830909 0.661819 0.250000 Pt\n0.338181 0.169091 0.250000 Pt\n0.500000 0.500000 0.000000 Pt\n0.830909 0.169091 0.250000 Pt\n0.500000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.169091 0.830909 0.750000 Pt\n0.661819 0.830909 0.750000 Pt\n0.500000 0.000000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 16,
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"elements": [
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],
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"density": 19.263169222135826,
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"volume": 263.3467864355087,
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"formula_full": "Hf4 Pt12",
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"formula_anonymous": "AB3",
"energy": -130.11378695,
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"updated_at": "2021-11-28T01:37:55.516000Z",
"spacegroup": 194
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{
"id": "mp-11455",
"created_at": "2022-09-04T14:39:42.056635Z",
"structure_string": "Hf1 Pt1\n1.0\n3.329778 0.000000 0.000000\n0.000000 3.329778 0.000000\n0.000000 0.000000 3.329778\nHf Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Pt\n",
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"updated_at": "2021-11-28T01:34:32.655000Z",
"spacegroup": 221
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{
"id": "mp-11454",
"created_at": "2022-09-04T14:45:10.074222Z",
"structure_string": "Hf2 Pd1\n1.0\n-1.648653 1.648653 5.396655\n1.648653 -1.648653 5.396655\n1.648653 1.648653 -5.396655\nHf Pd\n2 1\ndirect\n0.658170 0.658170 0.000000 Hf\n0.341830 0.341830 0.000000 Hf\n0.000000 0.000000 0.000000 Pd\n",
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"updated_at": "2021-11-28T01:36:53.227000Z",
"spacegroup": 139
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{
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"created_at": "2022-09-04T14:39:29.722630Z",
"structure_string": "Hf4 Pd12\n1.0\n2.835339 -4.910951 0.000000\n2.835339 4.910951 0.000000\n0.000000 0.000000 9.300042\nHf Pd\n4 12\ndirect\n0.666667 0.333333 0.750000 Hf\n0.333333 0.666667 0.250000 Hf\n0.000000 0.000000 0.500000 Hf\n0.000000 0.000000 0.000000 Hf\n0.168794 0.337588 0.750000 Pd\n0.831206 0.168794 0.250000 Pd\n0.337588 0.168794 0.250000 Pd\n0.662412 0.831206 0.750000 Pd\n0.500000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.831206 0.662412 0.250000 Pd\n0.168794 0.831206 0.750000 Pd\n",
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{
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"created_at": "2022-09-04T14:42:37.906951Z",
"structure_string": "Hf1 Os1\n1.0\n3.258835 0.000000 0.000000\n0.000000 3.258835 0.000000\n0.000000 0.000000 3.258835\nHf Os\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Os\n",
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"updated_at": "2021-11-28T01:36:03.119000Z",
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]
}