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{
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"results": [
{
"id": "jvasp-42756",
"created_at": "2022-09-04T14:35:51.867220Z",
"updated_at": "2022-09-04T14:35:51.867236Z",
"structure_string": "Li4 Ti3 Fe3 Ni2 O16\n1.0\n5.720309 -0.025324 -0.055332\n2.833907 4.969024 -0.054619\n-0.014987 -0.011580 9.482227\nLi Ti Fe Ni O\n4 3 3 2 16\ndirect\n0.325269 0.325232 0.106699 Li\n0.013792 0.013953 0.005002 Li\n0.013180 0.013278 0.501491 Li\n0.659873 0.659792 0.602082 Li\n0.164598 0.661224 0.785234 Ti\n0.661123 0.164242 0.785251 Ti\n0.833374 0.833352 0.286411 Ti\n0.343830 0.824601 0.287029 Fe\n0.824595 0.343826 0.287023 Fe\n0.170703 0.170971 0.788059 Fe\n0.332838 0.332886 0.508971 Ni\n0.666533 0.666498 0.015300 Ni\n0.839985 0.840009 0.900350 O\n0.328165 0.843994 0.895820 O\n0.664891 0.664927 0.396878 O\n0.956828 0.511137 0.163362 O\n0.511196 0.956786 0.163366 O\n0.163298 0.163331 0.388051 O\n0.471938 0.030576 0.663545 O\n0.478525 0.478504 0.661792 O\n0.678351 0.167410 0.397862 O\n0.005649 0.005590 0.189069 O\n0.001614 0.001715 0.684984 O\n0.334704 0.334853 0.900870 O\n0.513047 0.512994 0.170424 O\n0.167371 0.678392 0.397869 O\n0.030594 0.471977 0.663567 O\n0.843847 0.328247 0.895805 O\n",
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"formula_full": "Li4 Ti3 Fe3 Ni2 O16",
"formula_reduced": "Li4Ti3Fe3(NiO8)2",
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{
"id": "jvasp-14860",
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"updated_at": "2022-09-04T14:35:51.872147Z",
"structure_string": "Ce2 Fe4\n1.0\n4.394960 -0.000000 2.537432\n1.464987 4.143609 2.537432\n-0.000000 -0.000000 5.074863\nCe Fe\n2 4\ndirect\n0.125000 0.125000 0.125000 Ce\n0.875000 0.875000 0.874999 Ce\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.499999 Fe\n0.500000 0.500000 0.499999 Fe\n0.500000 0.500000 -0.000001 Fe\n",
"nsites": 6,
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"volume": 92.41830883257194,
"volume_molar": 9.275934409848325,
"formula_full": "Ce2 Fe4",
"formula_reduced": "CeFe2",
"formula_anonymous": "AB2",
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"spacegroup": 227
},
{
"id": "jvasp-64389",
"created_at": "2022-09-04T14:35:51.874225Z",
"updated_at": "2022-09-04T14:35:51.874255Z",
"structure_string": "Ba4 Zn1 Pb1\n1.0\n-0.000000 5.051475 5.051475\n5.051475 0.000000 5.051475\n5.051475 5.051475 0.000000\nBa Zn Pb\n4 1 1\ndirect\n0.127747 0.624085 0.624085 Ba\n0.624085 0.624085 0.624085 Ba\n0.624085 0.127747 0.624085 Ba\n0.624085 0.624085 0.127747 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 6,
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"elements": [
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"Zn",
"Pb"
],
"chemical_system": "Ba-Pb-Zn",
"density": 5.294103664840328,
"density_atomic": 0.023273764245332316,
"volume": 257.8010130528556,
"volume_molar": 25.87523314458156,
"formula_full": "Ba4 Zn1 Pb1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-67361",
"created_at": "2022-09-04T14:35:51.875081Z",
"updated_at": "2022-09-04T14:35:51.875101Z",
"structure_string": "Zr1 Be2 Ru1\n1.0\n3.023714 0.000000 0.000000\n-0.000000 3.023714 0.000000\n-0.000000 0.000000 5.730884\nZr Be Ru\n1 2 1\ndirect\n0.499999 0.499999 0.000000 Zr\n0.000000 0.000000 0.315666 Be\n0.000000 0.000000 0.684334 Be\n0.499999 0.499999 0.500000 Ru\n",
"nsites": 4,
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"elements": [
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"density": 6.665354506689935,
"density_atomic": 0.07634084310100202,
"volume": 52.39659188342783,
"volume_molar": 7.8884912916569,
"formula_full": "Zr1 Be2 Ru1",
"formula_reduced": "ZrBe2Ru",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-48912",
"created_at": "2022-09-04T14:35:51.875977Z",
"updated_at": "2022-09-04T14:35:51.875996Z",
"structure_string": "Mg11 Mn2 O13\n1.0\n0.000000 -2.134193 -2.134193\n-2.133465 12.843276 -14.977470\n4.266931 -0.000000 0.000000\nMg Mn O\n11 2 13\ndirect\n0.921789 0.156419 0.078209 Mg\n0.614770 0.770456 0.385229 Mg\n0.538807 0.922386 0.461193 Mg\n0.770515 0.458966 0.229483 Mg\n0.846152 0.307692 0.153846 Mg\n0.384150 0.231699 0.615849 Mg\n0.460284 0.079431 0.539715 Mg\n0.308156 0.383687 0.691843 Mg\n0.232023 0.535954 0.767977 Mg\n0.153499 0.693000 0.846501 Mg\n0.077534 0.844929 0.922465 Mg\n0.999633 0.000730 0.000365 Mn\n0.692671 0.614654 0.307328 Mn\n0.615657 0.768682 0.884342 O\n0.458643 0.082712 0.041356 O\n0.308377 0.383246 0.191622 O\n0.383929 0.232139 0.116070 O\n0.233663 0.532673 0.266337 O\n0.151651 0.696697 0.348349 O\n0.076647 0.846703 0.423353 O\n0.769986 0.460024 0.730013 O\n0.922319 0.155361 0.577679 O\n0.846152 0.307692 0.653846 O\n0.692768 0.614461 0.807231 O\n0.999537 0.000925 0.500461 O\n0.540654 0.918688 0.959346 O\n",
"nsites": 26,
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"elements": [
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"Mn",
"O"
],
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"formula_full": "Mg11 Mn2 O13",
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"formula_anonymous": "A2B11C13",
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"spacegroup": 71
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{
"id": "jvasp-96931",
"created_at": "2022-09-04T14:35:51.879250Z",
"updated_at": "2022-09-04T14:35:51.879276Z",
"structure_string": "Ho20 Si16\n1.0\n7.371981 0.000000 0.000000\n0.000000 7.667785 0.000000\n0.000000 0.000000 14.486083\nHo Si\n20 16\ndirect\n0.652681 0.988434 0.750000 Ho\n0.678714 0.821035 0.376754 Ho\n0.178714 0.678964 0.123245 Ho\n0.321286 0.178964 0.876754 Ho\n0.321286 0.178964 0.623245 Ho\n0.821286 0.321036 0.876754 Ho\n0.178714 0.678964 0.376754 Ho\n0.678714 0.821035 0.123245 Ho\n0.976574 0.817866 0.597389 Ho\n0.476574 0.682133 0.902611 Ho\n0.821286 0.321036 0.623245 Ho\n0.023426 0.182134 0.097389 Ho\n0.023426 0.182134 0.402611 Ho\n0.523426 0.317866 0.097389 Ho\n0.476574 0.682133 0.597389 Ho\n0.976574 0.817866 0.902611 Ho\n0.347318 0.011565 0.250000 Ho\n0.847318 0.488434 0.250000 Ho\n0.152682 0.511565 0.750000 Ho\n0.523426 0.317866 0.402611 Ho\n0.652364 0.029478 0.539589 Si\n0.152364 0.470522 0.960411 Si\n0.152364 0.470522 0.539589 Si\n0.652364 0.029478 0.960411 Si\n0.347636 0.970522 0.460411 Si\n0.847636 0.529478 0.039589 Si\n0.975391 0.895898 0.250000 Si\n0.228004 0.370355 0.250000 Si\n0.524608 0.395898 0.750000 Si\n0.024608 0.104102 0.750000 Si\n0.728004 0.129645 0.250000 Si\n0.271996 0.870354 0.750000 Si\n0.771996 0.629645 0.750000 Si\n0.347636 0.970522 0.039589 Si\n0.475391 0.604102 0.250000 Si\n0.847636 0.529478 0.460411 Si\n",
"nsites": 36,
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"elements": [
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],
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"density": 7.6004728122366485,
"density_atomic": 0.04396402005338532,
"volume": 818.8514143221059,
"volume_molar": 13.69788466270223,
"formula_full": "Ho20 Si16",
"formula_reduced": "Ho5Si4",
"formula_anonymous": "A4B5",
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"spacegroup": 62
},
{
"id": "jvasp-93921",
"created_at": "2022-09-04T14:35:51.883075Z",
"updated_at": "2022-09-04T14:35:51.883091Z",
"structure_string": "Hf3 Mg3\n1.0\n3.040722 0.000000 0.000000\n-1.520361 2.633342 0.000000\n0.000000 0.000000 16.249344\nHf Mg\n3 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.666666 0.333333 0.333333 Hf\n0.333333 0.666666 0.666667 Hf\n0.333333 0.666666 0.166667 Mg\n0.000000 0.000000 0.500000 Mg\n0.666666 0.333333 0.833333 Mg\n",
"nsites": 6,
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"volume": 130.1127377218299,
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"formula_full": "Hf3 Mg3",
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"formula_anonymous": "AB",
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"spacegroup": 166
},
{
"id": "jvasp-71000",
"created_at": "2022-09-04T14:35:51.886788Z",
"updated_at": "2022-09-04T14:35:51.886815Z",
"structure_string": "Be1 Cd1 Sb2\n1.0\n3.645940 0.000000 0.000000\n0.000000 3.645940 0.000000\n-0.000000 0.000000 7.430520\nBe Cd Sb\n1 1 2\ndirect\n0.000000 0.000000 0.528494 Be\n0.500000 0.500000 0.717740 Cd\n0.000000 0.000000 0.908908 Sb\n0.500000 0.500000 0.344858 Sb\n",
"nsites": 4,
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],
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"volume": 98.77299942995946,
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"formula_full": "Be1 Cd1 Sb2",
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},
{
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"created_at": "2022-09-04T14:35:51.898558Z",
"updated_at": "2022-09-04T14:35:51.898579Z",
"structure_string": "Be1 Mo1 Pd1\n1.0\n-1.367912 1.367912 5.139232\n1.367912 -1.367912 5.139232\n1.367912 1.367912 -5.139232\nBe Mo Pd\n1 1 1\ndirect\n0.009465 0.009465 0.000000 Be\n0.346611 0.346611 0.000000 Mo\n0.643923 0.643923 0.000000 Pd\n",
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"spacegroup": 107
},
{
"id": "jvasp-94355",
"created_at": "2022-09-04T14:35:51.900119Z",
"updated_at": "2022-09-04T14:35:51.900145Z",
"structure_string": "Mg4 Sn2\n1.0\n3.300639 -0.000000 0.000000\n-1.650319 2.858437 0.000000\n0.000000 -0.000000 15.687464\nMg Sn\n4 2\ndirect\n0.333333 0.666668 0.919253 Mg\n0.666667 0.333333 0.758681 Mg\n0.333333 0.666668 0.241319 Mg\n0.666667 0.333333 0.080747 Mg\n0.333333 0.666668 0.596460 Sn\n0.666667 0.333333 0.403540 Sn\n",
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{
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"updated_at": "2022-09-04T14:35:51.900486Z",
"structure_string": "Nd1 Si2 Ag2\n1.0\n3.998928 -0.000000 -1.465942\n-0.537391 3.962655 -1.465942\n-0.017997 -0.020602 6.138192\nNd Si Ag\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.609282 0.609283 0.218564 Si\n0.390718 0.390719 0.781436 Si\n0.250000 0.750001 0.500000 Ag\n0.750000 0.250001 0.500000 Ag\n",
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{
"id": "jvasp-64680",
"created_at": "2022-09-04T14:35:51.907260Z",
"updated_at": "2022-09-04T14:35:51.907288Z",
"structure_string": "Ba1 Li1 Ca1\n1.0\n0.000000 4.240527 4.240527\n4.240527 0.000000 4.240527\n4.240527 4.240527 -0.000000\nBa Li Ca\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ca\n",
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}
]
}