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{
"id": "mp-11463",
"created_at": "2022-09-04T14:47:38.319134Z",
"structure_string": "La1 Hg2\n1.0\n2.556646 -4.428241 0.000000\n2.556646 4.428241 0.000000\n0.000000 0.000000 3.596537\nLa Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.666667 0.333333 0.500000 Hg\n0.333333 0.666667 0.500000 Hg\n",
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"formula_full": "La1 Hg2",
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{
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"created_at": "2022-09-04T14:47:38.359392Z",
"structure_string": "P4 Pt10\n1.0\n2.724624 5.481664 0.000000\n-2.724624 5.481664 0.000000\n0.000000 1.239522 7.423768\nP Pt\n4 10\ndirect\n0.753290 0.564581 0.224436 P\n0.435419 0.246710 0.275564 P\n0.246710 0.435419 0.775564 P\n0.564581 0.753290 0.724436 P\n0.607388 0.155170 0.967409 Pt\n0.844830 0.392612 0.532591 Pt\n0.629583 0.081441 0.594822 Pt\n0.918559 0.370417 0.905178 Pt\n0.370417 0.918559 0.405178 Pt\n0.081441 0.629583 0.094822 Pt\n0.155170 0.607388 0.467409 Pt\n0.392612 0.844830 0.032591 Pt\n0.111541 0.888459 0.750000 Pt\n0.888459 0.111541 0.250000 Pt\n",
"nsites": 14,
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"elements": [
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"density": 15.535969655398434,
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"volume": 221.75497741469238,
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"formula_full": "P4 Pt10",
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"updated_at": "2021-11-28T01:38:15.472000Z",
"spacegroup": 15
},
{
"id": "mp-1214009",
"created_at": "2022-09-04T14:47:38.457694Z",
"structure_string": "Ca8 Mg2 Sn6\n1.0\n-6.185573 6.185573 3.025802\n6.185573 -6.185573 3.025802\n6.185573 6.185573 -3.025802\nCa Mg Sn\n8 2 6\ndirect\n0.082774 0.217152 0.299926 Ca\n0.917226 0.782848 0.700074 Ca\n0.782848 0.082774 0.865622 Ca\n0.417226 0.717152 0.134378 Ca\n0.217152 0.917226 0.134378 Ca\n0.582774 0.282848 0.865622 Ca\n0.717152 0.582774 0.299926 Ca\n0.282848 0.417226 0.700074 Ca\n0.250000 0.750000 0.500000 Mg\n0.750000 0.250000 0.500000 Mg\n0.152954 0.652954 0.805907 Sn\n0.847046 0.347046 0.194093 Sn\n0.347046 0.152954 0.500000 Sn\n0.652954 0.847046 0.500000 Sn\n0.250000 0.250000 0.000000 Sn\n0.750000 0.750000 0.000000 Sn\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Ca-Mg-Sn",
"density": 3.878044976347551,
"density_atomic": 0.03455091971549949,
"volume": 463.0846336869702,
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"formula_full": "Ca8 Mg2 Sn6",
"formula_reduced": "Ca4MgSn3",
"formula_anonymous": "AB3C4",
"energy": -52.93906424,
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"updated_at": "2021-11-28T01:38:16.870000Z",
"spacegroup": 140
},
{
"id": "mp-1188728",
"created_at": "2022-09-04T14:47:38.488317Z",
"structure_string": "Cd6 I12\n1.0\n-2.169764 -3.758142 0.000000\n2.169764 -3.758142 0.000000\n0.000000 -2.505428 44.127219\nCd I\n6 12\ndirect\n0.930560 0.930560 0.208320 Cd\n0.763895 0.763895 0.708314 Cd\n0.374994 0.374994 0.875019 Cd\n0.319455 0.319455 0.041635 Cd\n0.208329 0.208329 0.375012 Cd\n0.152781 0.152781 0.541657 Cd\n0.999130 0.999130 0.002610 I\n0.888005 0.888005 0.335986 I\n0.832466 0.832466 0.502603 I\n0.695308 0.695308 0.914077 I\n0.639760 0.639760 0.080720 I\n0.584208 0.584208 0.247377 I\n0.528636 0.528636 0.414091 I\n0.473097 0.473097 0.580709 I\n0.417541 0.417541 0.747378 I\n0.276911 0.276911 0.169268 I\n0.110253 0.110253 0.669240 I\n0.054672 0.054672 0.835983 I\n",
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"elements": [
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"density": 5.070141690015633,
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"volume": 719.6515062316134,
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"formula_full": "Cd6 I12",
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"energy": -38.78371725,
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"updated_at": "2021-11-28T01:38:12.812000Z",
"spacegroup": 160
},
{
"id": "mp-768388",
"created_at": "2022-09-04T14:47:38.510755Z",
"structure_string": "Lu8 Ge4 O20\n1.0\n3.384167 7.340155 0.000000\n-3.384167 7.340155 0.000000\n0.000000 5.413245 8.764244\nLu Ge O\n8 4 20\ndirect\n0.760750 0.513608 0.661200 Lu\n0.224737 0.705133 0.967906 Lu\n0.294867 0.775263 0.532094 Lu\n0.513608 0.760750 0.161200 Lu\n0.486392 0.239250 0.838800 Lu\n0.705133 0.224737 0.467906 Lu\n0.775263 0.294867 0.032094 Lu\n0.239250 0.486392 0.338800 Lu\n0.721340 0.907841 0.308472 Ge\n0.092159 0.278660 0.191528 Ge\n0.907841 0.721340 0.808472 Ge\n0.278660 0.092159 0.691528 Ge\n0.908956 0.927303 0.128463 O\n0.122624 0.285349 0.553189 O\n0.415999 0.817630 0.672591 O\n0.152827 0.460654 0.175882 O\n0.539346 0.847173 0.324118 O\n0.580803 0.385297 0.896930 O\n0.614703 0.419197 0.603070 O\n0.072697 0.091044 0.371537 O\n0.285349 0.122624 0.053189 O\n0.182370 0.584001 0.827409 O\n0.817630 0.415999 0.172591 O\n0.714651 0.877376 0.946811 O\n0.927303 0.908956 0.628463 O\n0.385297 0.580803 0.396930 O\n0.419197 0.614703 0.103070 O\n0.460654 0.152827 0.675882 O\n0.847173 0.539346 0.824118 O\n0.584001 0.182370 0.327409 O\n0.877376 0.714651 0.446811 O\n0.091044 0.072697 0.871537 O\n",
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"elements": [
"Lu",
"Ge",
"O"
],
"chemical_system": "Ge-Lu-O",
"density": 7.666639471970832,
"density_atomic": 0.07349342810840362,
"volume": 435.41308146355135,
"volume_molar": 8.194121454121417,
"formula_full": "Lu8 Ge4 O20",
"formula_reduced": "Lu2GeO5",
"formula_anonymous": "AB2C5",
"energy": -262.78089176,
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"updated_at": "2021-11-28T01:38:16.103000Z",
"spacegroup": 15
},
{
"id": "mp-721035",
"created_at": "2022-09-04T14:47:38.533994Z",
"structure_string": "Cu8 H96 N48 O48\n1.0\n7.587464 0.000000 0.000000\n0.000000 12.086998 0.000000\n0.000000 0.000000 25.884704\nCu H N O\n8 96 48 48\ndirect\n0.500000 0.515340 0.405626 Cu\n0.500000 0.484660 0.594374 Cu\n0.000000 0.015340 0.094374 Cu\n0.000000 0.984660 0.905626 Cu\n0.500000 0.586165 0.111043 Cu\n0.500000 0.413835 0.888957 Cu\n0.000000 0.086165 0.388957 Cu\n0.000000 0.913835 0.611043 Cu\n0.745096 0.536421 0.315314 H\n0.745096 0.463579 0.684686 H\n0.754904 0.036421 0.184686 H\n0.754904 0.963579 0.815314 H\n0.254904 0.463579 0.684686 H\n0.254904 0.536421 0.315314 H\n0.245096 0.963579 0.815314 H\n0.245096 0.036421 0.184686 H\n0.897813 0.282943 0.388055 H\n0.897813 0.717057 0.611945 H\n0.602187 0.782943 0.111945 H\n0.602187 0.217057 0.888055 H\n0.102187 0.717057 0.611945 H\n0.102187 0.282943 0.388055 H\n0.397813 0.217057 0.888055 H\n0.397813 0.782943 0.111945 H\n0.393758 0.284466 0.287524 H\n0.393758 0.715534 0.712476 H\n0.106242 0.784466 0.212476 H\n0.106242 0.215534 0.787524 H\n0.606242 0.715534 0.712476 H\n0.606242 0.284466 0.287524 H\n0.893758 0.215534 0.787524 H\n0.893758 0.784466 0.212476 H\n0.801673 0.532595 0.443310 H\n0.801673 0.467405 0.556690 H\n0.698327 0.032595 0.056690 H\n0.698327 0.967405 0.943310 H\n0.198327 0.467405 0.556690 H\n0.198327 0.532595 0.443310 H\n0.301673 0.967405 0.943310 H\n0.301673 0.032595 0.056690 H\n0.899611 0.766972 0.360604 H\n0.899611 0.233028 0.639396 H\n0.600389 0.266972 0.139396 H\n0.600389 0.733028 0.860604 H\n0.100389 0.233028 0.639396 H\n0.100389 0.766972 0.360604 H\n0.399611 0.733028 0.860604 H\n0.399611 0.266972 0.139396 H\n0.674338 0.630902 0.466475 H\n0.674338 0.369098 0.533525 H\n0.825662 0.130902 0.033525 H\n0.825662 0.869098 0.966475 H\n0.325662 0.369098 0.533525 H\n0.325662 0.630902 0.466475 H\n0.174338 0.869098 0.966475 H\n0.174338 0.130902 0.033525 H\n0.691221 0.541549 0.083607 H\n0.691221 0.458451 0.916393 H\n0.808779 0.041549 0.416393 H\n0.808779 0.958451 0.583607 H\n0.308779 0.458451 0.916393 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{
"id": "mp-22039",
"created_at": "2022-09-04T14:47:38.537204Z",
"structure_string": "Dy3 Cu4 Ge4\n1.0\n-2.094794 3.323337 6.951974\n2.094794 -3.323337 6.951974\n2.094794 3.323337 -6.951974\nDy Cu Ge\n3 4 4\ndirect\n0.869903 0.869903 0.000000 Dy\n0.130097 0.130097 0.000000 Dy\n0.500000 0.000000 0.500000 Dy\n0.858604 0.668946 0.189658 Cu\n0.141396 0.331054 0.810342 Cu\n0.479288 0.668946 0.810342 Cu\n0.520712 0.331054 0.189658 Cu\n0.283183 0.783183 0.500000 Ge\n0.808400 0.500000 0.308400 Ge\n0.191600 0.500000 0.691600 Ge\n0.716817 0.216817 0.500000 Ge\n",
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{
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