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{
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{
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"structure_string": "Pr2 Mn2 Ge2 O10\n1.0\n5.726881 0.000000 0.000000\n-1.715711 5.537854 0.000000\n-1.140777 -2.422956 6.518355\nPr Mn Ge O\n2 2 2 10\ndirect\n0.350199 0.188354 0.720559 Pr\n0.649801 0.811646 0.279441 Pr\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.696148 0.836199 0.766500 Ge\n0.303852 0.163801 0.233500 Ge\n0.934833 0.586044 0.261874 O\n0.270663 0.852010 0.076365 O\n0.062212 0.169036 0.366350 O\n0.729337 0.147990 0.923635 O\n0.576284 0.241257 0.439708 O\n0.324252 0.369022 0.089915 O\n0.675748 0.630978 0.910085 O\n0.937788 0.830964 0.633650 O\n0.065167 0.413956 0.738126 O\n0.423716 0.758743 0.560292 O\n",
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{
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"structure_string": "Cu2 Pt2 F12\n1.0\n5.028546 0.000000 0.000000\n2.457119 4.405726 0.000000\n2.345398 1.367168 9.341590\nCu Pt F\n2 2 12\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.726986 0.781543 0.749901 Pt\n0.273014 0.218457 0.250099 Pt\n0.908767 0.200906 0.371307 F\n0.091233 0.799094 0.628693 F\n0.541538 0.850783 0.374320 F\n0.458462 0.149217 0.625680 F\n0.358639 0.750835 0.873450 F\n0.641361 0.249165 0.126550 F\n0.711744 0.045386 0.875383 F\n0.288256 0.954614 0.124617 F\n0.989021 0.419428 0.870878 F\n0.010979 0.580572 0.129122 F\n0.752523 0.507031 0.625985 F\n0.247477 0.492969 0.374015 F\n",
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{
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"structure_string": "K2 Li1 S2 O4 F2\n1.0\n4.161148 0.118099 -1.785095\n0.158615 6.269282 -0.071860\n-0.136350 -0.083985 8.441326\nK Li S O F\n2 1 2 4 2\ndirect\n0.602674 0.741454 0.404336 K\n0.262354 0.256989 0.637795 K\n0.761549 0.938809 0.073250 Li\n0.050253 0.311548 0.149674 S\n0.069208 0.760093 0.884617 S\n0.039439 0.879880 0.725153 O\n0.993903 0.490476 0.249484 O\n0.753362 0.246116 0.003007 O\n0.374626 0.814987 0.044481 O\n0.057755 0.044720 0.293161 F\n0.701545 0.410762 0.572079 F\n",
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{
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"structure_string": "Er1 Mn4 Al8\n1.0\n0.000000 0.000000 5.144999\n-4.367983 4.367983 2.572500\n-4.367983 -4.367983 2.572500\nEr Mn Al\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Er\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.335517 0.664483 Al\n0.000000 0.664483 0.335517 Al\n0.664483 0.335517 0.335517 Al\n0.335517 0.664483 0.664483 Al\n0.500000 0.775917 0.224083 Al\n0.500000 0.224083 0.775917 Al\n0.724083 0.775917 0.775917 Al\n0.275917 0.224083 0.224083 Al\n",
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{
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"structure_string": "Ca1 La1 Fe1 Bi1 O6\n1.0\n-0.000000 -4.184143 -4.184143\n4.184143 0.000000 -4.184143\n4.184143 -4.184143 -0.000000\nCa La Fe Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 La\n-0.000000 -0.000000 -0.000000 Fe\n0.750000 0.750000 0.750000 Bi\n0.770596 0.229404 0.229404 O\n0.229404 0.770596 0.770596 O\n0.770596 0.229404 0.770596 O\n0.229404 0.770596 0.229404 O\n0.770596 0.770596 0.229404 O\n0.229404 0.229404 0.770596 O\n",
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{
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{
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{
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{
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"formula_full": "Li9 Co7 O16",
"formula_reduced": "Li9Co7O16",
"formula_anonymous": "A7B9C16",
"energy": -199.4727792,
"energy_per_atom": -6.23352435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -177.0147792,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9370035,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.689000Z",
"spacegroup": 1
},
{
"id": "mp-1096093",
"created_at": "2022-09-04T14:44:22.662348Z",
"structure_string": "Li1 Y2 Cd1\n1.0\n-6.263055 6.325734 8.922546\n6.263055 -6.325734 8.922546\n6.263055 6.325734 -8.922546\nLi Y Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.254224 0.254224 Y\n0.000000 0.745776 0.745776 Y\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Y",
"Cd"
],
"chemical_system": "Cd-Li-Y",
"density": 0.3489786967178001,
"density_atomic": 0.002828876924876369,
"volume": 1413.9886980678075,
"volume_molar": 212.88097432033692,
"formula_full": "Li1 Y2 Cd1",
"formula_reduced": "LiY2Cd",
"formula_anonymous": "ABC2",
"energy": -7.23039326,
"energy_per_atom": -1.807598315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.23039326,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9998017,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.164000Z",
"spacegroup": 71
}
]
}