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{
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{
"id": "mp-37949",
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{
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"spacegroup": 123
},
{
"id": "mp-1183723",
"created_at": "2022-09-04T14:44:19.155579Z",
"structure_string": "Cr3 H1\n1.0\n-1.594436 1.594436 3.990248\n1.594436 -1.594436 3.990248\n1.594436 1.594436 -3.990248\nCr H\n3 1\ndirect\n0.750000 0.250000 0.500000 Cr\n0.250000 0.750000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 H\n",
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"formula_full": "Cr3 H1",
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"spacegroup": 139
},
{
"id": "mp-1114072",
"created_at": "2022-09-04T14:39:47.762788Z",
"structure_string": "Rb2 In1 Ga1 Br6\n1.0\n0.000000 5.683383 5.683383\n5.683383 0.000000 5.683383\n5.683383 5.683383 0.000000\nRb In Ga Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ga\n0.740171 0.259829 0.259829 Br\n0.259829 0.259829 0.740171 Br\n0.259829 0.740171 0.740171 Br\n0.259829 0.740171 0.259829 Br\n0.740171 0.259829 0.740171 Br\n0.740171 0.740171 0.259829 Br\n",
"nsites": 10,
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"elements": [
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"formula_full": "Rb2 In1 Ga1 Br6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "mp-1026634",
"created_at": "2022-09-04T14:39:21.276097Z",
"structure_string": "Cs1 Mg14 Mo1\n1.0\n6.487322 -0.042137 0.000000\n-3.280153 5.681390 0.000000\n0.000000 0.000000 10.511485\nCs Mg Mo\n1 14 1\ndirect\n0.135893 0.317946 0.125000 Cs\n0.174003 0.337001 0.625000 Mg\n0.167769 0.833884 0.625000 Mg\n0.651241 0.326107 0.125000 Mg\n0.666901 0.342110 0.625000 Mg\n0.651241 0.825133 0.125000 Mg\n0.666901 0.824790 0.625000 Mg\n0.336176 0.151791 0.381479 Mg\n0.336176 0.151791 0.868521 Mg\n0.336176 0.684386 0.381479 Mg\n0.336176 0.684386 0.868521 Mg\n0.819358 0.159680 0.401021 Mg\n0.819358 0.159680 0.848979 Mg\n0.848411 0.674206 0.359344 Mg\n0.848411 0.674206 0.890656 Mg\n0.205808 0.852903 0.125000 Mo\n",
"nsites": 16,
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"elements": [
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"volume": 385.9690158807437,
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"formula_full": "Cs1 Mg14 Mo1",
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"updated_at": "2021-11-28T01:34:38.004000Z",
"spacegroup": 38
},
{
"id": "mp-1210826",
"created_at": "2022-09-04T14:46:15.221890Z",
"structure_string": "Mn1 Ga1 Fe2\n1.0\n-1.840352 1.840352 3.478408\n1.840352 -1.840352 3.478408\n1.840352 1.840352 -3.478408\nMn Ga Fe\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Ga\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n",
"nsites": 4,
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"elements": [
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"density": 8.328452568964948,
"density_atomic": 0.08488240650786726,
"volume": 47.12401738550218,
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"formula_full": "Mn1 Ga1 Fe2",
"formula_reduced": "MnGaFe2",
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"energy": -29.25812095,
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"updated_at": "2021-11-28T01:37:22.571000Z",
"spacegroup": 139
},
{
"id": "mp-1111490",
"created_at": "2022-09-04T14:41:50.361848Z",
"structure_string": "K3 In1 Br6\n1.0\n0.000000 5.820875 5.820875\n5.820875 0.000000 5.820875\n5.820875 5.820875 0.000000\nK In Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 In\n0.768072 0.231928 0.231928 Br\n0.231928 0.231928 0.768072 Br\n0.231928 0.768072 0.768072 Br\n0.231928 0.768072 0.231928 Br\n0.768072 0.231928 0.768072 Br\n0.768072 0.768072 0.231928 Br\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Br-In-K",
"density": 2.9953785099488734,
"density_atomic": 0.0253515889655546,
"volume": 394.45259283696487,
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"formula_full": "K3 In1 Br6",
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"spacegroup": 225
},
{
"id": "mp-1028047",
"created_at": "2022-09-04T14:41:34.312042Z",
"structure_string": "Mg14 Zn1 Ni1\n1.0\n6.288527 -0.028817 0.000000\n-3.169219 5.489248 0.000000\n0.000000 0.000000 9.770261\nMg Zn Ni\n14 1 1\ndirect\n0.172367 0.336183 0.625000 Mg\n0.171510 0.835754 0.625000 Mg\n0.709244 0.356207 0.125000 Mg\n0.661192 0.332442 0.625000 Mg\n0.709244 0.853037 0.125000 Mg\n0.661192 0.828749 0.625000 Mg\n0.319443 0.153273 0.345613 Mg\n0.319443 0.153273 0.904387 Mg\n0.319443 0.666171 0.345613 Mg\n0.319443 0.666171 0.904387 Mg\n0.831949 0.165975 0.376894 Mg\n0.831949 0.165975 0.873106 Mg\n0.838813 0.669407 0.369741 Mg\n0.838813 0.669407 0.880259 Mg\n0.154333 0.327166 0.125000 Zn\n0.141623 0.820811 0.125000 Ni\n",
"nsites": 16,
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"Zn",
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"density": 2.292440546356042,
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"volume": 336.37012435350624,
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"formula_full": "Mg14 Zn1 Ni1",
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"spacegroup": 38
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{
"id": "mp-998750",
"created_at": "2022-09-04T14:45:31.342121Z",
"structure_string": "K2 Ag2 Cl6\n1.0\n6.222089 -3.632003 0.000000\n6.222089 3.632003 0.000000\n4.101990 0.000000 5.922796\nK Ag Cl\n2 2 6\ndirect\n0.735492 0.735492 0.735492 K\n0.235492 0.235492 0.235492 K\n0.996098 0.996098 0.996098 Ag\n0.496098 0.496098 0.496098 Ag\n0.747388 0.197145 0.295377 Cl\n0.197145 0.295377 0.747388 Cl\n0.295377 0.747388 0.197145 Cl\n0.795377 0.697145 0.247388 Cl\n0.247388 0.795377 0.697145 Cl\n0.697145 0.247388 0.795377 Cl\n",
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{
"id": "mp-865707",
"created_at": "2022-09-04T14:43:14.252621Z",
"structure_string": "Ti1 Sn1 Rh2\n1.0\n0.000000 3.182407 3.182407\n3.182407 0.000000 3.182407\n3.182407 3.182407 0.000000\nTi Sn Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Sn\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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{
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"created_at": "2022-09-04T14:41:09.289681Z",
"structure_string": "Ni2 Sb4\n1.0\n3.803481 0.000000 0.000000\n0.000000 5.350550 0.000000\n0.000000 0.000000 6.313845\nNi Sb\n2 4\ndirect\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.715806 0.139590 Sb\n0.500000 0.284194 0.860410 Sb\n0.000000 0.784194 0.639590 Sb\n0.000000 0.215806 0.360410 Sb\n",
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"formula_full": "Ni2 Sb4",
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{
"id": "mp-578601",
"created_at": "2022-09-04T14:47:16.731541Z",
"structure_string": "Na1 Nb1 O2\n1.0\n5.974872 -1.491266 0.000000\n5.974872 1.491266 0.000000\n5.602668 0.000000 2.555990\nNa Nb O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Nb\n0.256638 0.256638 0.256638 O\n0.743362 0.743362 0.743362 O\n",
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"updated_at": "2021-11-28T01:38:04.579000Z",
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}
]
}