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{
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"results": [
{
"id": "mp-861978",
"created_at": "2022-09-04T14:45:13.752915Z",
"structure_string": "Hf2 Re1 Ir1\n1.0\n0.000000 3.272129 3.272129\n3.272129 0.000000 3.272129\n3.272129 3.272129 0.000000\nHf Re Ir\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Hf\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 Ir\n",
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{
"id": "mp-1219534",
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"structure_string": "Re2 B2 W2\n1.0\n2.767693 -2.767693 -2.355825\n-2.785225 -2.785225 2.355825\n-2.785225 -2.785225 -2.355825\nRe B W\n2 2 2\ndirect\n0.500000 0.329944 0.829944 Re\n0.500000 0.670056 0.170056 Re\n0.000000 0.250000 0.750000 B\n0.000000 0.750000 0.250000 B\n0.165278 0.832639 0.667361 W\n0.834722 0.167361 0.332639 W\n",
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"spacegroup": 69
},
{
"id": "mp-1187219",
"created_at": "2022-09-04T14:48:28.219239Z",
"structure_string": "Ta3 Pt1\n1.0\n4.128618 0.000000 0.000000\n0.000000 4.128618 0.000000\n0.000000 0.000000 4.128618\nTa Pt\n3 1\ndirect\n0.000000 0.500000 0.500000 Ta\n0.500000 0.000000 0.500000 Ta\n0.500000 0.500000 0.000000 Ta\n0.000000 0.000000 0.000000 Pt\n",
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"elements": [
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"chemical_system": "Pt-Ta",
"density": 17.41200447596201,
"density_atomic": 0.05683892903332894,
"volume": 70.37430275391887,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:39:27.800000Z",
"spacegroup": 221
},
{
"id": "mp-20971",
"created_at": "2022-09-04T14:41:53.743852Z",
"structure_string": "Sn1 Pt3\n1.0\n4.065812 0.000000 0.000000\n0.000000 4.065812 0.000000\n0.000000 0.000000 4.065812\nSn Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"density": 17.392276612742958,
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"volume": 67.21123567833547,
"volume_molar": 10.118888047711758,
"formula_full": "Sn1 Pt3",
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"updated_at": "2021-11-28T01:35:37.272000Z",
"spacegroup": 221
},
{
"id": "mp-952",
"created_at": "2022-09-04T14:48:01.734066Z",
"structure_string": "Mo1 Pt2\n1.0\n-1.382593 2.001517 4.193399\n1.382593 -2.001517 4.193399\n1.382593 2.001517 -4.193399\nMo Pt\n1 2\ndirect\n0.000000 0.000000 0.000000 Mo\n0.663768 0.663768 0.000000 Pt\n0.336232 0.336232 0.000000 Pt\n",
"nsites": 3,
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"elements": [
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"density": 17.39009883847262,
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"volume": 46.417293661436695,
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"formula_full": "Mo1 Pt2",
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"updated_at": "2021-11-28T01:38:24.773000Z",
"spacegroup": 71
},
{
"id": "mp-518",
"created_at": "2022-09-04T14:48:25.547747Z",
"structure_string": "Ti5 Re24\n1.0\n-4.826369 4.826369 4.826369\n4.826369 -4.826369 4.826369\n4.826369 4.826369 -4.826369\nTi Re\n5 24\ndirect\n0.000000 0.000000 0.000000 Ti\n0.632303 0.000000 0.000000 Ti\n0.000000 0.632303 0.000000 Ti\n0.000000 0.000000 0.632303 Ti\n0.367697 0.367697 0.367697 Ti\n0.398811 0.681503 0.000000 Re\n0.717308 0.318497 0.318497 Re\n0.398811 0.000000 0.681503 Re\n0.681503 0.398811 0.000000 Re\n0.000000 0.398811 0.681503 Re\n0.318497 0.717308 0.318497 Re\n0.318497 0.318497 0.717308 Re\n0.000000 0.681503 0.398811 Re\n0.681503 0.000000 0.398811 Re\n0.601189 0.601189 0.282692 Re\n0.282692 0.601189 0.601189 Re\n0.601189 0.282692 0.601189 Re\n0.374884 0.193189 0.000000 Re\n0.181695 0.806811 0.806811 Re\n0.374884 0.000000 0.193189 Re\n0.193189 0.374884 0.000000 Re\n0.000000 0.374884 0.193189 Re\n0.806811 0.181695 0.806811 Re\n0.806811 0.806811 0.181695 Re\n0.000000 0.193189 0.374884 Re\n0.193189 0.000000 0.374884 Re\n0.625116 0.625116 0.818305 Re\n0.818305 0.625116 0.625116 Re\n0.625116 0.818305 0.625116 Re\n",
"nsites": 29,
"nelements": 2,
"elements": [
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"Re"
],
"chemical_system": "Re-Ti",
"density": 17.38569039787602,
"density_atomic": 0.06448763322660363,
"volume": 449.6986251316847,
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"formula_full": "Ti5 Re24",
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"formula_anonymous": "A5B24",
"energy": -344.60316024,
"energy_per_atom": -11.882867594482759,
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"updated_at": "2021-11-28T01:39:10.157000Z",
"spacegroup": 217
},
{
"id": "mp-1018055",
"created_at": "2022-09-04T14:40:21.932744Z",
"structure_string": "Hf2 Ir2\n1.0\n3.066005 0.000000 0.000000\n0.000000 4.664248 0.000000\n0.000000 0.000000 4.951987\nHf Ir\n2 2\ndirect\n0.500000 0.250000 0.268654 Hf\n0.500000 0.750000 0.731346 Hf\n0.000000 0.750000 0.206072 Ir\n0.000000 0.250000 0.793928 Ir\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Hf-Ir",
"density": 17.385047887907657,
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"volume": 70.81642336921652,
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"formula_full": "Hf2 Ir2",
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"energy": -41.3068139,
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"updated_at": "2021-11-28T01:34:47.842000Z",
"spacegroup": 51
},
{
"id": "mp-2236",
"created_at": "2022-09-04T14:39:43.393162Z",
"structure_string": "U8 Ir8\n1.0\n10.560154 0.000000 0.000000\n0.000000 5.594366 0.000000\n0.000000 0.919391 5.565304\nU Ir\n8 8\ndirect\n0.861249 0.348249 0.862626 U\n0.361249 0.151751 0.137374 U\n0.866998 0.912470 0.394211 U\n0.366998 0.587530 0.605789 U\n0.138751 0.651751 0.137374 U\n0.638751 0.848249 0.862626 U\n0.133002 0.087530 0.605789 U\n0.633002 0.412470 0.394211 U\n0.600182 0.338776 0.908858 Ir\n0.100182 0.161224 0.091142 Ir\n0.603639 0.912142 0.356751 Ir\n0.103639 0.587858 0.643249 Ir\n0.399818 0.661224 0.091142 Ir\n0.899818 0.838776 0.908858 Ir\n0.396361 0.087858 0.643249 Ir\n0.896361 0.412142 0.356751 Ir\n",
"nsites": 16,
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"elements": [
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"Ir"
],
"chemical_system": "Ir-U",
"density": 17.383843970285813,
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"volume": 328.7835040494194,
"volume_molar": 12.374878380947708,
"formula_full": "U8 Ir8",
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"energy": -168.9876618,
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"spacegroup": 14
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{
"id": "mp-30738",
"created_at": "2022-09-04T14:43:20.897946Z",
"structure_string": "Li1 Ir3\n1.0\n-1.350299 2.349862 4.396076\n1.350299 -2.349862 4.396076\n1.350299 2.349862 -4.396076\nLi Ir\n1 3\ndirect\n0.482819 0.500000 0.982819 Li\n0.047859 0.740399 0.307460 Ir\n0.567061 0.259601 0.307460 Ir\n0.998260 0.000000 0.998260 Ir\n",
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"density": 17.368445080424763,
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"formula_full": "Li1 Ir3",
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{
"id": "mp-1002122",
"created_at": "2022-09-04T14:40:16.125795Z",
"structure_string": "Hf1 Ir1\n1.0\n3.284961 0.000000 0.000000\n0.000000 3.284961 0.000000\n0.000000 0.000000 3.284961\nHf Ir\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ir\n",
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{
"id": "mp-1095482",
"created_at": "2022-09-04T14:46:42.585454Z",
"structure_string": "Yb4 Os8\n1.0\n2.645130 -4.581499 0.000000\n2.645130 4.581499 0.000000\n0.000000 0.000000 8.738649\nYb Os\n4 8\ndirect\n0.333333 0.666667 0.435674 Yb\n0.666667 0.333333 0.564326 Yb\n0.666667 0.333333 0.935674 Yb\n0.333333 0.666667 0.064326 Yb\n0.000000 0.000000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.826982 0.173018 0.250000 Os\n0.826982 0.653964 0.250000 Os\n0.346036 0.173018 0.250000 Os\n0.173018 0.826982 0.750000 Os\n0.173018 0.346036 0.750000 Os\n0.653964 0.826982 0.750000 Os\n",
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],
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"density": 17.357924916387134,
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"volume": 211.80144004319206,
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"formula_full": "Yb4 Os8",
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"updated_at": "2021-11-28T01:37:39.687000Z",
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{
"id": "mp-16315",
"created_at": "2022-09-04T14:41:35.115059Z",
"structure_string": "Ge2 Pt6\n1.0\n-2.798780 2.798780 4.018530\n2.798780 -2.798780 4.018530\n2.798780 2.798780 -4.018530\nGe Pt\n2 6\ndirect\n0.250000 0.750000 0.500000 Ge\n0.750000 0.250000 0.500000 Ge\n0.750000 0.750000 0.000000 Pt\n0.250000 0.250000 0.000000 Pt\n0.304681 0.804681 0.109362 Pt\n0.695319 0.195319 0.890638 Pt\n0.804681 0.695319 0.500000 Pt\n0.195319 0.304681 0.500000 Pt\n",
"nsites": 8,
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"elements": [
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"formula_full": "Ge2 Pt6",
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"updated_at": "2021-11-28T01:35:25.286000Z",
"spacegroup": 140
}
]
}