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{
"id": "mp-1213370",
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"structure_string": "Ga8 Ru4\n1.0\n-4.617979 -4.662133 0.000000\n-4.617979 4.662133 0.000000\n4.617979 0.000000 -4.663747\nGa Ru\n8 4\ndirect\n0.395232 0.180061 0.785200 Ga\n0.389968 0.605139 0.785200 Ga\n0.819939 0.604768 0.214800 Ga\n0.854768 0.569939 0.714800 Ga\n0.394861 0.610032 0.214800 Ga\n0.860032 0.144861 0.714800 Ga\n0.430061 0.145232 0.285200 Ga\n0.855139 0.139968 0.285200 Ga\n0.625000 0.875000 0.750000 Ru\n0.125000 0.875000 0.750000 Ru\n0.125000 0.375000 0.250000 Ru\n0.125000 0.875000 0.250000 Ru\n",
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{
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{
"id": "mp-1212975",
"created_at": "2022-09-04T14:40:11.133068Z",
"structure_string": "Dy16 Mg4 Ru4\n1.0\n0.000000 6.866070 6.866070\n6.866070 0.000000 6.866070\n6.866070 6.866070 0.000000\nDy Mg Ru\n16 4 4\ndirect\n0.343973 0.343973 0.343973 Dy\n0.343973 0.343973 0.968081 Dy\n0.343973 0.968081 0.343973 Dy\n0.968081 0.343973 0.343973 Dy\n0.813669 0.186331 0.186331 Dy\n0.186331 0.813669 0.813669 Dy\n0.186331 0.813669 0.186331 Dy\n0.813669 0.186331 0.813669 Dy\n0.186331 0.186331 0.813669 Dy\n0.813669 0.813669 0.186331 Dy\n0.937205 0.562795 0.562795 Dy\n0.562795 0.937205 0.937205 Dy\n0.562795 0.937205 0.562795 Dy\n0.937205 0.562795 0.937205 Dy\n0.562795 0.562795 0.937205 Dy\n0.937205 0.937205 0.562795 Dy\n0.579056 0.579056 0.579056 Mg\n0.579056 0.579056 0.262831 Mg\n0.579056 0.262831 0.579056 Mg\n0.262831 0.579056 0.579056 Mg\n0.139366 0.139366 0.139366 Ru\n0.139366 0.139366 0.581903 Ru\n0.139366 0.581903 0.139366 Ru\n0.581903 0.139366 0.139366 Ru\n",
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},
{
"id": "mp-1205398",
"created_at": "2022-09-04T14:43:21.986678Z",
"structure_string": "Ce1 Co12 B6\n1.0\n3.676912 -4.716558 0.000000\n3.676912 4.716558 0.000000\n-2.373253 0.000000 5.489378\nCe Co B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Ce\n0.134103 0.865897 0.500000 Co\n0.500000 0.134103 0.865897 Co\n0.865897 0.500000 0.134103 Co\n0.500000 0.865897 0.134103 Co\n0.134103 0.500000 0.865897 Co\n0.865897 0.134103 0.500000 Co\n0.544147 0.813696 0.544147 Co\n0.544147 0.544147 0.813696 Co\n0.813696 0.544147 0.544147 Co\n0.455853 0.186304 0.455853 Co\n0.455853 0.455853 0.186304 Co\n0.186304 0.455853 0.455853 Co\n0.769638 0.330353 0.769638 B\n0.769638 0.769638 0.330353 B\n0.330353 0.769638 0.769638 B\n0.230362 0.669647 0.230362 B\n0.230362 0.230362 0.669647 B\n0.669647 0.230362 0.230362 B\n",
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"density": 7.955514227878671,
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"volume": 190.39763451700424,
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"formula_full": "Ce1 Co12 B6",
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{
"id": "mp-570118",
"created_at": "2022-09-04T14:47:23.265897Z",
"structure_string": "Yb1 Tl1 Se2\n1.0\n7.203872 -2.131790 0.000000\n7.203872 2.131790 0.000000\n6.573026 0.000000 3.638079\nYb Tl Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Tl\n0.743652 0.743652 0.743652 Se\n0.256348 0.256348 0.256348 Se\n",
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"density": 7.95552674057531,
"density_atomic": 0.03579706843682919,
"volume": 111.74099373692482,
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"formula_full": "Yb1 Tl1 Se2",
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"updated_at": "2021-11-28T01:38:08.613000Z",
"spacegroup": 166
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{
"id": "mp-568196",
"created_at": "2022-09-04T14:39:09.795450Z",
"structure_string": "Er6 Co2 Si6\n1.0\n2.073646 5.199820 0.000000\n-2.073646 5.199820 0.000000\n0.000000 4.799687 12.485057\nEr Co Si\n6 2 6\ndirect\n0.746687 0.746687 0.771548 Er\n0.399021 0.399021 0.919614 Er\n0.600979 0.600979 0.080386 Er\n0.474989 0.474989 0.379342 Er\n0.253313 0.253313 0.228452 Er\n0.525011 0.525011 0.620658 Er\n0.752831 0.752831 0.417117 Co\n0.247169 0.247169 0.582883 Co\n0.051809 0.051809 0.758969 Si\n0.138932 0.138932 0.455959 Si\n0.861068 0.861068 0.544041 Si\n0.948191 0.948191 0.241031 Si\n0.884477 0.884477 0.076042 Si\n0.115523 0.115523 0.923958 Si\n",
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"elements": [
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],
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"density": 7.955599807389454,
"density_atomic": 0.05199775365272053,
"volume": 269.242400229486,
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"formula_full": "Er6 Co2 Si6",
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{
"id": "mp-20837",
"created_at": "2022-09-04T14:44:29.885865Z",
"structure_string": "Gd1 Mn2 Ge2\n1.0\n-1.985213 1.985213 5.460292\n1.985213 -1.985213 5.460292\n1.985213 1.985213 -5.460292\nGd Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.620502 0.620502 0.000000 Ge\n0.379498 0.379498 0.000000 Ge\n",
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"density": 7.955804214711856,
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"volume": 86.07758628378441,
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"formula_full": "Gd1 Mn2 Ge2",
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{
"id": "mp-1226028",
"created_at": "2022-09-04T14:43:00.371866Z",
"structure_string": "Dy4 Fe29 Si5\n1.0\n4.197081 2.424013 4.135026\n-4.192342 2.369108 4.161662\n-0.090226 -9.642129 8.328567\nDy Fe Si\n4 29 5\ndirect\n0.661823 0.650647 0.326712 Dy\n0.654036 0.655667 0.826163 Dy\n0.345964 0.344333 0.173837 Dy\n0.338177 0.349353 0.673288 Dy\n0.336836 0.333497 0.425507 Fe\n0.338308 0.338709 0.922046 Fe\n0.341450 0.844995 0.169126 Fe\n0.334662 0.850392 0.667204 Fe\n0.845029 0.339020 0.170463 Fe\n0.834339 0.346341 0.671637 Fe\n0.661692 0.661291 0.077954 Fe\n0.663164 0.666503 0.574493 Fe\n0.665338 0.149608 0.332796 Fe\n0.658550 0.155005 0.830874 Fe\n0.165661 0.653659 0.328363 Fe\n0.154971 0.660980 0.829537 Fe\n0.314966 0.688431 0.498568 Fe\n0.304896 0.695766 0.999476 Fe\n0.696562 0.000148 0.153011 Fe\n0.684920 0.004618 0.654157 Fe\n0.000571 0.292838 0.353636 Fe\n0.998518 0.300901 0.849697 Fe\n0.315080 0.995382 0.345843 Fe\n0.303438 0.999852 0.846989 Fe\n0.001482 0.699099 0.150303 Fe\n0.999429 0.707162 0.646364 Fe\n0.685034 0.311569 0.501432 Fe\n0.695104 0.304234 0.000524 Fe\n0.003476 0.998075 0.249998 Fe\n0.996524 0.001925 0.750002 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Si\n0.928312 0.888379 0.444233 Si\n0.899671 0.898498 0.949795 Si\n0.100329 0.101502 0.050205 Si\n0.071688 0.111621 0.555767 Si\n",
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{
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"structure_string": "La1 B2 Rh2 C1\n1.0\n-1.952237 1.952237 5.179878\n1.952237 -1.952237 5.179878\n1.952237 1.952237 -5.179878\nLa B Rh C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 La\n0.355029 0.355029 0.000000 B\n0.644971 0.644971 0.000000 B\n0.250000 0.750000 0.500000 Rh\n0.750000 0.250000 0.500000 Rh\n0.500000 0.500000 0.000000 C\n",
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{
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{
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"id": "mp-1219432",
"created_at": "2022-09-04T14:46:32.936025Z",
"structure_string": "Sm4 Ga3 Fe31\n1.0\n4.269623 2.453910 4.150133\n-4.304973 2.488643 4.165870\n0.024870 -9.923551 8.338894\nSm Ga Fe\n4 3 31\ndirect\n0.661429 0.664557 0.330304 Sm\n0.658281 0.661370 0.830683 Sm\n0.341876 0.341760 0.169802 Sm\n0.342509 0.343149 0.672923 Sm\n0.847272 0.344609 0.172092 Ga\n0.847882 0.344198 0.671914 Ga\n0.344291 0.344439 0.424056 Ga\n0.904179 0.903291 0.451752 Fe\n0.904434 0.903202 0.951534 Fe\n0.097107 0.094430 0.047520 Fe\n0.095908 0.092223 0.547852 Fe\n0.288947 0.710953 0.501106 Fe\n0.289609 0.710434 0.000297 Fe\n0.709136 0.998566 0.144598 Fe\n0.709426 0.998446 0.644099 Fe\n0.996463 0.287777 0.355839 Fe\n0.000208 0.288915 0.855760 Fe\n0.289540 0.998327 0.354942 Fe\n0.291128 0.000960 0.854986 Fe\n0.000817 0.711597 0.144132 Fe\n0.000349 0.711738 0.644200 Fe\n0.709614 0.289286 0.998896 Fe\n0.711778 0.288923 0.498516 Fe\n0.999352 0.996871 0.250125 Fe\n0.999319 0.997199 0.750615 Fe\n0.996402 0.503233 0.497979 Fe\n0.999685 0.499836 0.998755 Fe\n0.498784 0.999989 0.999859 Fe\n0.499592 0.996841 0.499821 Fe\n0.342323 0.343722 0.923104 Fe\n0.342276 0.845941 0.171778 Fe\n0.342084 0.844902 0.671203 Fe\n0.153608 0.662079 0.328347 Fe\n0.156765 0.658819 0.829043 Fe\n0.655076 0.661551 0.075289 Fe\n0.657588 0.661675 0.576089 Fe\n0.659575 0.144108 0.329932 Fe\n0.655387 0.150084 0.830257 Fe\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Sm",
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga-Sm",
"density": 7.956224080288063,
"density_atomic": 0.07163074144008968,
"volume": 530.4984876051064,
"volume_molar": 8.407201487697543,
"formula_full": "Sm4 Ga3 Fe31",
"formula_reduced": "Sm4Ga3Fe31",
"formula_anonymous": "A3B4C31",
"energy": -292.62224072,
"energy_per_atom": -7.700585282105263,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -292.62224072,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 69.4863575,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.107000Z",
"spacegroup": 1
}
]
}