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{
"id": "mp-1205075",
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{
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"structure_string": "Be2 Cu1 Ir1\n1.0\n0.000000 2.750683 2.750683\n2.750683 0.000000 2.750683\n2.750683 2.750683 0.000000\nBe Cu Ir\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Be\n0.250000 0.250000 0.250000 Be\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Ir\n",
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{
"id": "mp-1333160",
"created_at": "2022-09-04T14:39:24.756903Z",
"structure_string": "Li4 Fe7 O2 F14\n1.0\n6.146840 0.000000 0.000000\n-2.958316 5.398105 0.000000\n-0.267955 -3.466675 10.187176\nLi Fe O F\n4 7 2 14\ndirect\n0.359080 0.650238 0.444840 Li\n0.626416 0.818520 0.057042 Li\n0.378679 0.180221 0.947596 Li\n0.629153 0.331363 0.558088 Li\n0.003102 0.515098 0.990730 Fe\n0.476062 0.250853 0.252094 Fe\n0.015088 0.771647 0.242601 Fe\n0.013275 0.005447 0.502978 Fe\n0.002253 0.243943 0.749617 Fe\n0.018160 0.248754 0.252324 Fe\n0.498699 0.752258 0.748414 Fe\n0.227277 0.331941 0.376024 O\n0.232653 0.111555 0.137736 O\n0.754606 0.619307 0.120875 F\n0.262118 0.613355 0.637321 F\n0.766451 0.165669 0.129269 F\n0.749079 0.124561 0.629962 F\n0.246495 0.148166 0.629182 F\n0.236591 0.617044 0.122176 F\n0.243697 0.863295 0.378729 F\n0.748445 0.867381 0.375667 F\n0.767314 0.348706 0.875885 F\n0.253430 0.857737 0.881346 F\n0.751046 0.657122 0.613042 F\n0.725552 0.877267 0.867603 F\n0.771242 0.398555 0.353602 F\n0.244039 0.379995 0.875257 F\n",
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{
"id": "mp-867352",
"created_at": "2022-09-04T14:39:27.128413Z",
"structure_string": "Tc2 Rh6\n1.0\n2.751753 -4.766176 0.000000\n2.751753 4.766176 0.000000\n0.000000 0.000000 4.341221\nTc Rh\n2 6\ndirect\n0.333333 0.666667 0.750000 Tc\n0.666667 0.333333 0.250000 Tc\n0.167696 0.335392 0.250000 Rh\n0.664608 0.832304 0.250000 Rh\n0.167696 0.832304 0.250000 Rh\n0.832304 0.664608 0.750000 Rh\n0.335392 0.167696 0.750000 Rh\n0.832304 0.167696 0.750000 Rh\n",
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{
"id": "mp-1219599",
"created_at": "2022-09-04T14:39:24.752014Z",
"structure_string": "Rb1 Ba2 Ni2 F9\n1.0\n7.295006 -2.935074 0.000000\n7.295006 2.935074 0.000000\n6.114109 0.000000 4.944639\nRb Ba Ni F\n1 2 2 9\ndirect\n0.213012 0.213012 0.213012 Rb\n0.998800 0.998800 0.998800 Ba\n0.793690 0.793690 0.793690 Ba\n0.389647 0.389647 0.389647 Ni\n0.606714 0.606714 0.606714 Ni\n0.268140 0.772444 0.268140 F\n0.772444 0.268140 0.268140 F\n0.268140 0.268140 0.772444 F\n0.731952 0.220769 0.731952 F\n0.220769 0.731952 0.731952 F\n0.731952 0.731952 0.220769 F\n0.992639 0.506051 0.506051 F\n0.506051 0.506051 0.992639 F\n0.506051 0.992639 0.506051 F\n",
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{
"id": "mp-757777",
"created_at": "2022-09-04T14:39:24.820450Z",
"structure_string": "Li2 Si2 Bi6 O14\n1.0\n4.292384 -7.434626 0.000000\n4.292384 7.434626 0.000000\n0.000000 0.000000 5.224253\nLi Si Bi O\n2 2 6 14\ndirect\n0.000000 0.000000 0.019714 Li\n0.000000 0.000000 0.519714 Li\n0.333333 0.666667 0.173463 Si\n0.666667 0.333333 0.673463 Si\n0.087925 0.732697 0.701181 Bi\n0.267303 0.355228 0.701181 Bi\n0.644772 0.912075 0.701181 Bi\n0.355228 0.087925 0.201181 Bi\n0.732697 0.644772 0.201181 Bi\n0.912075 0.267303 0.201181 Bi\n0.082738 0.855178 0.327803 O\n0.130842 0.531038 0.050131 O\n0.400197 0.869158 0.050131 O\n0.333333 0.666667 0.487278 O\n0.144822 0.227560 0.327803 O\n0.468962 0.599803 0.050131 O\n0.227560 0.082738 0.827803 O\n0.772440 0.917262 0.327803 O\n0.531038 0.400197 0.550131 O\n0.855178 0.772440 0.827803 O\n0.666667 0.333333 0.987278 O\n0.599803 0.130842 0.550131 O\n0.869158 0.468962 0.550131 O\n0.917262 0.144822 0.827803 O\n",
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{
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"structure_string": "Mg30 Al1 C1 O32\n1.0\n8.461779 0.000000 0.000000\n0.000000 8.461779 0.000000\n0.000000 0.000000 8.600493\nMg Al C O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.245752 0.252895 Mg\n0.000000 0.245752 0.747105 Mg\n0.000000 0.754248 0.252895 Mg\n0.000000 0.754248 0.747105 Mg\n0.500000 0.249279 0.250885 Mg\n0.500000 0.249279 0.749115 Mg\n0.500000 0.750721 0.250885 Mg\n0.500000 0.750721 0.749115 Mg\n0.245752 0.000000 0.252895 Mg\n0.245752 0.000000 0.747105 Mg\n0.249279 0.500000 0.250885 Mg\n0.249279 0.500000 0.749115 Mg\n0.754248 0.000000 0.252895 Mg\n0.754248 0.000000 0.747105 Mg\n0.750721 0.500000 0.250885 Mg\n0.750721 0.500000 0.749115 Mg\n0.249918 0.249918 0.000000 Mg\n0.247812 0.247812 0.500000 Mg\n0.249918 0.750082 0.000000 Mg\n0.247812 0.752188 0.500000 Mg\n0.750082 0.249918 0.000000 Mg\n0.752188 0.247812 0.500000 Mg\n0.750082 0.750082 0.000000 Mg\n0.752188 0.752188 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 C\n0.242444 0.000000 0.000000 O\n0.254758 0.000000 0.500000 O\n0.248755 0.500000 0.000000 O\n0.250174 0.500000 0.500000 O\n0.757556 0.000000 0.000000 O\n0.745242 0.000000 0.500000 O\n0.751245 0.500000 0.000000 O\n0.749826 0.500000 0.500000 O\n0.249169 0.249169 0.250323 O\n0.249169 0.249169 0.749677 O\n0.249169 0.750831 0.250323 O\n0.249169 0.750831 0.749677 O\n0.750831 0.249169 0.250323 O\n0.750831 0.249169 0.749677 O\n0.750831 0.750831 0.250323 O\n0.750831 0.750831 0.749677 O\n0.000000 0.000000 0.210004 O\n0.000000 0.000000 0.789996 O\n0.000000 0.500000 0.247824 O\n0.000000 0.500000 0.752176 O\n0.500000 0.000000 0.247824 O\n0.500000 0.000000 0.752176 O\n0.500000 0.500000 0.249166 O\n0.500000 0.500000 0.750834 O\n0.000000 0.242444 0.000000 O\n0.000000 0.254758 0.500000 O\n0.000000 0.757556 0.000000 O\n0.000000 0.745242 0.500000 O\n0.500000 0.248755 0.000000 O\n0.500000 0.250174 0.500000 O\n0.500000 0.751245 0.000000 O\n0.500000 0.749826 0.500000 O\n",
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{
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{
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{
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"structure_string": "Nb4 Se8\n1.0\n1.718825 -2.977092 0.000000\n1.718825 2.977092 0.000000\n0.000000 0.000000 29.273519\nNb Se\n4 8\ndirect\n0.333333 0.666667 0.000000 Nb\n0.333333 0.666667 0.254443 Nb\n0.666667 0.333333 0.500000 Nb\n0.333333 0.666667 0.745557 Nb\n0.333333 0.666667 0.082454 Se\n0.000000 0.000000 0.441798 Se\n0.000000 0.000000 0.803755 Se\n0.666667 0.333333 0.312761 Se\n0.000000 0.000000 0.558202 Se\n0.000000 0.000000 0.196245 Se\n0.333333 0.666667 0.917546 Se\n0.666667 0.333333 0.687239 Se\n",
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"spacegroup": 187
},
{
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"created_at": "2022-09-04T14:39:25.020202Z",
"structure_string": "Mn6 O2 F10\n1.0\n3.221938 0.000000 0.000000\n0.000000 4.950992 0.000000\n0.000000 0.643935 14.791384\nMn O F\n6 2 10\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.015792 0.327787 Mn\n0.000000 0.984208 0.672213 Mn\n0.500000 0.476140 0.174743 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.523860 0.825257 Mn\n0.000000 0.697094 0.766519 O\n0.000000 0.302906 0.233481 O\n0.500000 0.811908 0.268270 F\n0.500000 0.804355 0.599128 F\n0.500000 0.799465 0.937914 F\n0.000000 0.681032 0.107087 F\n0.000000 0.707262 0.430911 F\n0.000000 0.292738 0.569089 F\n0.000000 0.318968 0.892913 F\n0.500000 0.200535 0.062086 F\n0.500000 0.195645 0.400872 F\n0.500000 0.188092 0.731730 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 3.8820746319710517,
"density_atomic": 0.0762876592515375,
"volume": 235.94904046865517,
"volume_molar": 7.893990743828766,
"formula_full": "Mn6 O2 F10",
"formula_reduced": "Mn3OF5",
"formula_anonymous": "AB3C5",
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"updated_at": "2021-11-28T01:34:28.942000Z",
"spacegroup": 10
},
{
"id": "mp-1186802",
"created_at": "2022-09-04T14:39:25.021572Z",
"structure_string": "Pu1 Ag3\n1.0\n0.000000 3.542976 3.542976\n3.542976 0.000000 3.542976\n3.542976 3.542976 0.000000\nPu Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Pu\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n0.500000 0.500000 0.500000 Ag\n",
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"elements": [
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],
"chemical_system": "Ag-Pu",
"density": 10.596449601314664,
"density_atomic": 0.044970256461921064,
"volume": 88.94768041598857,
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"formula_full": "Pu1 Ag3",
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"updated_at": "2021-11-28T01:34:27.151000Z",
"spacegroup": 225
}
]
}