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{
"id": "mp-981749",
"created_at": "2022-09-04T14:48:14.622225Z",
"structure_string": "Tc1 Ag3\n1.0\n-2.128696 2.128696 3.879988\n2.128696 -2.128696 3.879988\n2.128696 2.128696 -3.879988\nTc Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Tc\n0.750000 0.250000 0.500000 Ag\n0.250000 0.750000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n",
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{
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{
"id": "mp-1216810",
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"formula_full": "U2 Mn1 Al3",
"formula_reduced": "U2MnAl3",
"formula_anonymous": "AB2C3",
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"updated_at": "2021-11-28T01:35:17.999000Z",
"spacegroup": 166
},
{
"id": "mp-1217934",
"created_at": "2022-09-04T14:42:23.332665Z",
"structure_string": "Ta2 Ti2 Fe8\n1.0\n-2.360725 -4.089986 -0.000069\n-2.360725 4.089986 0.000069\n0.000000 -0.000130 -7.811974\nTa Ti Fe\n2 2 8\ndirect\n0.666609 0.333391 0.570247 Ta\n0.333391 0.666609 0.429753 Ta\n0.333290 0.666710 0.062295 Ti\n0.666710 0.333290 0.937705 Ti\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.170267 0.340615 0.751745 Fe\n0.170355 0.829645 0.751816 Fe\n0.659385 0.829733 0.751745 Fe\n0.829733 0.659385 0.248255 Fe\n0.829645 0.170355 0.248184 Fe\n0.340615 0.170267 0.248255 Fe\n",
"nsites": 12,
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"density": 9.955125250382858,
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"formula_full": "Ta2 Ti2 Fe8",
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{
"id": "mp-10623",
"created_at": "2022-09-04T14:40:12.923574Z",
"structure_string": "Th1 Sb1 Rh1\n1.0\n0.000000 3.364592 3.364592\n3.364592 0.000000 3.364592\n3.364592 3.364592 0.000000\nTh Sb Rh\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 Sb\n0.750000 0.750000 0.750000 Rh\n",
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"volume": 76.17758835597232,
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"formula_full": "Th1 Sb1 Rh1",
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"formula_anonymous": "ABC",
"energy": -22.07060757,
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{
"id": "mp-11516",
"created_at": "2022-09-04T14:40:39.202135Z",
"structure_string": "Nb1 Ru1\n1.0\n3.186488 0.000000 0.000000\n0.000000 3.186488 0.000000\n0.000000 0.000000 3.186488\nNb Ru\n1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Ru\n",
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"elements": [
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"volume": 32.35466160484057,
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"formula_full": "Nb1 Ru1",
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"updated_at": "2021-11-28T01:35:06.427000Z",
"spacegroup": 221
},
{
"id": "mp-865170",
"created_at": "2022-09-04T14:40:06.228871Z",
"structure_string": "Ga1 Fe1 Rh2\n1.0\n0.000000 3.023358 3.023358\n3.023358 0.000000 3.023358\n3.023358 3.023358 0.000000\nGa Fe Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Fe\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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"volume": 55.2711782190224,
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"formula_full": "Ga1 Fe1 Rh2",
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"spacegroup": 225
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{
"id": "mp-570698",
"created_at": "2022-09-04T14:40:40.325703Z",
"structure_string": "V3 Au1\n1.0\n3.878429 0.000000 0.000000\n0.000000 3.878429 0.000000\n0.000000 0.000000 3.878429\nV Au\n3 1\ndirect\n0.500000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Au\n",
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{
"id": "mp-28919",
"created_at": "2022-09-04T14:46:55.909696Z",
"structure_string": "Hf3 Te2\n1.0\n-1.855015 1.855015 9.580685\n1.855015 -1.855015 9.580685\n1.855015 1.855015 -9.580685\nHf Te\n3 2\ndirect\n0.411373 0.411373 0.000000 Hf\n0.588627 0.588627 0.000000 Hf\n0.000000 0.000000 0.000000 Hf\n0.841170 0.841170 0.000000 Te\n0.158830 0.158830 0.000000 Te\n",
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"density": 9.956184915666254,
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{
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"created_at": "2022-09-04T14:43:17.154438Z",
"structure_string": "Ca1 Hf8 N8 O4\n1.0\n5.448149 -0.023873 0.007073\n2.726647 -4.862364 0.672009\n2.755328 2.948465 -10.780638\nCa Hf N O\n1 8 8 4\ndirect\n0.745723 0.376068 0.142261 Ca\n0.253862 0.214821 0.296062 Hf\n0.112211 0.019718 0.773454 Hf\n0.266302 0.553927 0.968540 Hf\n0.651547 0.185345 0.557000 Hf\n0.475935 0.709612 0.465549 Hf\n0.955016 0.815879 0.267276 Hf\n0.558000 0.938417 0.001358 Hf\n0.859882 0.609350 0.707432 Hf\n0.504746 0.025864 0.402527 N\n0.208922 0.360744 0.122322 N\n0.263224 0.604634 0.632831 N\n0.868419 0.236606 0.394449 N\n0.403102 0.777318 0.866926 N\n0.796871 0.916719 0.122209 N\n0.983029 0.185412 0.628013 N\n0.697408 0.111901 0.876103 N\n0.354370 0.785869 0.126401 O\n0.306972 0.580003 0.340850 O\n0.028119 0.467639 0.863118 O\n0.608680 0.864535 0.620590 O\n",
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{
"id": "mp-1071985",
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"structure_string": "Ce2 Sn2 Au2\n1.0\n2.396637 -4.151097 0.000000\n2.396637 4.151097 0.000000\n0.000000 0.000000 7.640678\nCe Sn Au\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n0.333333 0.666667 0.250000 Au\n0.666667 0.333333 0.750000 Au\n",
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{
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"created_at": "2022-09-04T14:41:49.641041Z",
"structure_string": "U1 Si2 Ru2\n1.0\n-2.079338 2.079338 4.786267\n2.079338 -2.079338 4.786267\n2.079338 2.079338 -4.786267\nU Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.626674 0.626674 0.000000 Si\n0.373326 0.373326 0.000000 Si\n0.250000 0.750000 0.500000 Ru\n0.750000 0.250000 0.500000 Ru\n",
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"formula_full": "U1 Si2 Ru2",
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}
]
}