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{
"id": "mp-984717",
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{
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{
"id": "mp-1009207",
"created_at": "2022-09-04T14:44:14.025009Z",
"structure_string": "Mn1 Sb1\n1.0\n3.366446 0.000000 0.000000\n0.000000 3.366446 0.000000\n0.000000 0.000000 3.366446\nMn Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Sb\n",
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{
"id": "mp-1198490",
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"structure_string": "U8 O24\n1.0\n0.000000 4.956583 10.157685\n4.906361 0.000000 10.157685\n4.906361 4.956583 0.000000\nU O\n8 24\ndirect\n0.811002 0.811002 0.188998 U\n0.188998 0.188998 0.811002 U\n0.438998 0.438998 0.061002 U\n0.061002 0.061002 0.438998 U\n0.625000 0.625000 0.125000 U\n0.125000 0.625000 0.625000 U\n0.625000 0.625000 0.625000 U\n0.625000 0.125000 0.625000 U\n0.716042 0.718026 0.085394 O\n0.085394 0.480539 0.716042 O\n0.718026 0.716042 0.480539 O\n0.480539 0.085394 0.718026 O\n0.533958 0.531974 0.164606 O\n0.164606 0.769461 0.533958 O\n0.531974 0.533958 0.769461 O\n0.769461 0.164606 0.531974 O\n0.855101 0.862164 0.834830 O\n0.834830 0.447905 0.855101 O\n0.862164 0.855101 0.447905 O\n0.447905 0.834830 0.862164 O\n0.394899 0.387836 0.415170 O\n0.415170 0.802095 0.394899 O\n0.387836 0.394899 0.802095 O\n0.802095 0.415170 0.387836 O\n0.199110 0.183053 0.548649 O\n0.548649 0.069188 0.199110 O\n0.183053 0.199110 0.069188 O\n0.069188 0.548649 0.183053 O\n0.050890 0.066947 0.701351 O\n0.701351 0.180812 0.050890 O\n0.066947 0.050890 0.180812 O\n0.180812 0.701351 0.066947 O\n",
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{
"id": "mp-1225501",
"created_at": "2022-09-04T14:41:36.068488Z",
"structure_string": "Dy6 Al6 Fe12\n1.0\n-2.636804 -4.565710 0.000007\n-2.636804 4.565710 -0.000007\n0.000000 -0.000003 -16.203754\nDy Al Fe\n6 6 12\ndirect\n0.666672 0.333328 0.740036 Dy\n0.333328 0.666672 0.259964 Dy\n0.666694 0.333306 0.533373 Dy\n0.333306 0.666694 0.466627 Dy\n0.333311 0.666689 0.031514 Dy\n0.666689 0.333311 0.968486 Dy\n0.836395 0.672788 0.134634 Al\n0.836402 0.163598 0.134567 Al\n0.327212 0.163605 0.134634 Al\n0.163605 0.327212 0.865366 Al\n0.163598 0.836402 0.865433 Al\n0.672788 0.836395 0.865366 Al\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.666759 0.333241 0.261502 Fe\n0.333241 0.666759 0.738498 Fe\n0.000149 0.999851 0.738172 Fe\n0.999851 0.000149 0.261828 Fe\n0.165556 0.331082 0.625013 Fe\n0.165620 0.834380 0.624952 Fe\n0.668918 0.834444 0.625013 Fe\n0.834444 0.668918 0.374987 Fe\n0.834380 0.165620 0.375048 Fe\n0.331082 0.165556 0.374987 Fe\n",
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{
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"created_at": "2022-09-04T14:39:15.902475Z",
"structure_string": "Sb4 Pd4 Se4\n1.0\n6.425214 0.000000 0.000000\n0.000000 6.425214 0.000000\n0.000000 0.000000 6.425214\nSb Pd Se\n4 4 4\ndirect\n0.873575 0.626425 0.373575 Sb\n0.373575 0.873575 0.626425 Sb\n0.126425 0.126425 0.126425 Sb\n0.626425 0.373575 0.873575 Sb\n0.746666 0.246666 0.253334 Pd\n0.246666 0.253334 0.746666 Pd\n0.253334 0.746666 0.246666 Pd\n0.753334 0.753334 0.753334 Pd\n0.367713 0.367713 0.367713 Se\n0.132287 0.632287 0.867713 Se\n0.867713 0.132287 0.632287 Se\n0.632287 0.867713 0.132287 Se\n",
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{
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"structure_string": "La4 Mg2 Ir2 O12\n1.0\n5.717538 0.000000 0.000000\n0.000000 5.598411 0.000000\n0.000000 5.588133 7.963727\nLa Mg Ir O\n4 2 2 12\ndirect\n0.548562 0.738263 0.750782 La\n0.048562 0.261737 0.749218 La\n0.951438 0.738263 0.250782 La\n0.451438 0.261737 0.249218 La\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.522922 0.839100 0.248104 O\n0.022922 0.160900 0.251896 O\n0.477078 0.160900 0.751896 O\n0.977078 0.839100 0.748104 O\n0.794263 0.661208 0.547019 O\n0.294263 0.338792 0.952981 O\n0.205737 0.338792 0.452981 O\n0.705737 0.661208 0.047019 O\n0.210995 0.750707 0.047182 O\n0.710995 0.249293 0.452818 O\n0.789005 0.249293 0.952818 O\n0.289005 0.750707 0.547182 O\n",
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{
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{
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{
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"structure_string": "Dy16 Mg4 Ni4\n1.0\n0.000000 6.814957 6.814957\n6.814957 0.000000 6.814957\n6.814957 6.814957 0.000000\nDy Mg Ni\n16 4 4\ndirect\n0.345868 0.345868 0.345868 Dy\n0.345868 0.345868 0.962395 Dy\n0.345868 0.962395 0.345868 Dy\n0.962395 0.345868 0.345868 Dy\n0.812918 0.187082 0.187082 Dy\n0.187082 0.812918 0.812918 Dy\n0.187082 0.812918 0.187082 Dy\n0.812918 0.187082 0.812918 Dy\n0.187082 0.187082 0.812918 Dy\n0.812918 0.812918 0.187082 Dy\n0.934786 0.565214 0.565214 Dy\n0.565214 0.934786 0.934786 Dy\n0.565214 0.934786 0.565214 Dy\n0.934786 0.565214 0.934786 Dy\n0.565214 0.565214 0.934786 Dy\n0.934786 0.934786 0.565214 Dy\n0.580059 0.580059 0.580059 Mg\n0.580059 0.580059 0.259824 Mg\n0.580059 0.259824 0.580059 Mg\n0.259824 0.580059 0.580059 Mg\n0.141596 0.141596 0.141596 Ni\n0.141596 0.141596 0.575213 Ni\n0.141596 0.575213 0.141596 Ni\n0.575213 0.141596 0.141596 Ni\n",
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"id": "mp-1219025",
"created_at": "2022-09-04T14:46:53.520429Z",
"structure_string": "Sm1 Ti1 Fe11 N1\n1.0\n0.000000 0.000000 4.868349\n-4.297873 4.264286 2.434175\n-4.297873 -4.264286 -2.434175\nSm Ti Fe N\n1 1 11 1\ndirect\n0.006874 0.993126 0.006874 Sm\n0.634015 0.365985 0.634015 Ti\n0.726358 0.773642 0.226358 Fe\n0.276652 0.223348 0.776652 Fe\n0.497109 0.780052 0.774270 Fe\n0.497109 0.225730 0.219948 Fe\n0.500013 0.997192 0.498360 Fe\n0.001155 0.997192 0.498360 Fe\n0.500013 0.501640 0.002808 Fe\n0.001155 0.501640 0.002808 Fe\n0.358477 0.641523 0.358477 Fe\n0.999918 0.360200 0.360037 Fe\n0.999918 0.639963 0.639800 Fe\n0.501234 0.998766 0.001234 N\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sm",
"Ti",
"Fe",
"N"
],
"chemical_system": "Fe-N-Sm-Ti",
"density": 7.69122352793634,
"density_atomic": 0.07845424242982482,
"volume": 178.44796618261427,
"volume_molar": 7.675991219195878,
"formula_full": "Sm1 Ti1 Fe11 N1",
"formula_reduced": "SmTiFe11N",
"formula_anonymous": "ABCD11",
"energy": -116.62615354000002,
"energy_per_atom": -8.33043953857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -116.26515354,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.648163,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.484000Z",
"spacegroup": 44
}
]
}