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{
"id": "jvasp-113096",
"created_at": "2022-09-04T14:38:42.227018Z",
"updated_at": "2022-09-04T14:38:42.227034Z",
"structure_string": "Ho4 Fe1 Sn8\n1.0\n4.407680 -0.000000 0.000000\n0.000000 4.441799 0.000000\n-0.000000 -0.000000 16.530861\nHo Fe Sn\n4 1 8\ndirect\n0.000000 0.000000 0.095654 Ho\n-0.000000 0.500000 0.603936 Ho\n0.500000 0.500000 0.394390 Ho\n0.500000 0.000000 0.900637 Ho\n0.000000 0.000000 0.306133 Fe\n0.000000 0.000000 0.454904 Sn\n-0.000000 0.500000 0.933578 Sn\n0.500000 0.500000 0.060162 Sn\n0.500000 0.000000 0.575697 Sn\n-0.000000 0.500000 0.236257 Sn\n0.000000 0.000000 0.751442 Sn\n0.500000 0.000000 0.235722 Sn\n0.500000 0.500000 0.754490 Sn\n",
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{
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"structure_string": "Li4 Ni4 Bi2 O12\n1.0\n5.332028 -0.009484 -0.005323\n-2.613236 4.647761 -0.005445\n0.000311 0.000843 9.937691\nLi Ni Bi O\n4 4 2 12\ndirect\n0.650190 0.151673 0.749958 Li\n0.848300 0.349837 0.250045 Li\n0.153487 0.652004 0.749985 Li\n0.348016 0.846489 0.250017 Li\n0.837553 0.162429 0.499998 Ni\n0.333810 0.666207 -0.000001 Ni\n0.662457 0.337563 -0.000002 Ni\n0.166174 0.833802 0.499998 Ni\n0.996889 0.003134 0.000006 Bi\n0.503113 0.496868 0.500004 Bi\n0.970162 0.343145 0.886780 O\n0.656866 0.029857 0.113219 O\n0.029877 0.657664 0.109296 O\n0.843723 0.470734 0.613235 O\n0.529247 0.156266 0.386765 O\n0.145798 0.132258 0.600793 O\n0.867713 0.854172 0.399207 O\n0.631404 0.644928 0.899198 O\n0.355102 0.368624 0.100800 O\n0.157093 0.529311 0.390691 O\n0.342346 0.970141 0.890703 O\n0.470671 0.842894 0.609310 O\n",
"nsites": 22,
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"formula_full": "Li4 Ni4 Bi2 O12",
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{
"id": "jvasp-111947",
"created_at": "2022-09-04T14:38:42.234906Z",
"updated_at": "2022-09-04T14:38:42.234930Z",
"structure_string": "Li3 Mn1 Co4 O8\n1.0\n5.006329 0.001055 2.938339\n1.633102 4.732474 2.938339\n-0.005596 -0.003989 5.878557\nLi Mn Co O\n3 1 4 8\ndirect\n-0.000000 0.499999 0.500001 Li\n-0.000000 -0.000000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Mn\n0.499999 0.500000 0.500001 Co\n0.000000 0.000000 0.000000 Co\n-0.000000 0.500000 0.000000 Co\n0.500000 0.000000 -0.000000 Co\n0.737882 0.737883 0.766310 O\n0.740139 0.267232 0.762195 O\n0.267231 0.740139 0.762196 O\n0.251921 0.251922 0.753552 O\n0.748078 0.748078 0.246450 O\n0.732768 0.259861 0.237806 O\n0.259860 0.732768 0.237806 O\n0.262117 0.262117 0.233691 O\n",
"nsites": 16,
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"density_atomic": 0.11479089902829186,
"volume": 139.38387220102328,
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"formula_full": "Li3 Mn1 Co4 O8",
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"spacegroup": 12
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{
"id": "jvasp-116579",
"created_at": "2022-09-04T14:38:42.238181Z",
"updated_at": "2022-09-04T14:38:42.238209Z",
"structure_string": "Zr10 Si6 N2\n1.0\n7.934862 -0.000000 0.000000\n-3.967430 6.871792 0.000000\n-0.000000 -0.000000 5.629274\nZr Si N\n10 6 2\ndirect\n0.233335 0.000000 0.750000 Zr\n0.333333 0.666666 -0.000000 Zr\n0.666666 0.333333 0.500000 Zr\n0.333333 0.666666 0.500000 Zr\n0.233335 0.233335 0.250000 Zr\n0.666666 0.333333 -0.000000 Zr\n-0.000000 0.766664 0.250000 Zr\n-0.000000 0.233335 0.750000 Zr\n0.766665 0.000000 0.250000 Zr\n0.766664 0.766664 0.750000 Zr\n0.595411 0.000000 0.750000 Si\n0.404589 0.000000 0.250000 Si\n-0.000000 0.595411 0.750000 Si\n-0.000000 0.404589 0.250000 Si\n0.404589 0.404589 0.750000 Si\n0.595411 0.595411 0.250000 Si\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 18,
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"elements": [
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"formula_full": "Zr10 Si6 N2",
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{
"id": "jvasp-114615",
"created_at": "2022-09-04T14:38:42.241591Z",
"updated_at": "2022-09-04T14:38:42.241619Z",
"structure_string": "Be1 Ge1 Ir1\n1.0\n6.604132 0.000000 0.000000\n0.000000 6.604132 0.000000\n0.000000 0.000000 4.762595\nBe Ge Ir\n1 1 1\ndirect\n0.259656 0.000608 0.000000 Be\n0.000501 0.316748 0.000000 Ge\n-0.021872 -0.045329 0.000000 Ir\n",
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"elements": [
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"spacegroup": 6
},
{
"id": "jvasp-112567",
"created_at": "2022-09-04T14:38:42.243302Z",
"updated_at": "2022-09-04T14:38:42.243320Z",
"structure_string": "Tm4 Mn2 C8\n1.0\n6.126046 0.003168 -2.142701\n-1.349973 4.389895 -4.585413\n-0.002005 -0.003168 6.489962\nTm Mn C\n4 2 8\ndirect\n0.508231 0.354269 0.153962 Tm\n0.491769 0.645730 0.846037 Tm\n0.200306 0.854268 0.346037 Tm\n0.799694 0.145731 0.653962 Tm\n-0.000000 0.250000 0.250000 Mn\n-0.000000 0.749999 0.749999 Mn\n0.251802 0.079636 0.172164 C\n0.748199 0.920363 0.827836 C\n0.907473 0.579636 0.327836 C\n0.092527 0.420363 0.672163 C\n0.473639 0.129941 0.343699 C\n0.526361 0.870058 0.656301 C\n0.786243 0.629941 0.156302 C\n0.213757 0.370058 0.843698 C\n",
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"density": 8.392952432022486,
"density_atomic": 0.0802552742569807,
"volume": 174.44336374917145,
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"formula_full": "Tm4 Mn2 C8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 72
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{
"id": "jvasp-116310",
"created_at": "2022-09-04T14:38:42.244942Z",
"updated_at": "2022-09-04T14:38:42.244963Z",
"structure_string": "Li2 Se2\n1.0\n3.732686 0.000000 0.000000\n0.000000 3.732686 -0.000000\n0.000000 0.000000 5.280157\nLi Se\n2 2\ndirect\n0.000000 -0.000000 0.249569 Li\n0.500001 0.500001 0.750432 Li\n0.000000 -0.000000 0.749581 Se\n0.500001 0.500001 0.250419 Se\n",
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"volume": 73.5681358821965,
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},
{
"id": "jvasp-113105",
"created_at": "2022-09-04T14:38:42.248615Z",
"updated_at": "2022-09-04T14:38:42.248632Z",
"structure_string": "Co5 Cu1 S8\n1.0\n5.754557 0.000000 3.322395\n1.918186 5.425449 3.322395\n0.000000 0.000000 6.644790\nCo Cu S\n5 1 8\ndirect\n0.625176 0.625176 0.124474 Co\n0.625176 0.124474 0.625176 Co\n0.124474 0.625176 0.625176 Co\n0.625176 0.625176 0.625176 Co\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Cu\n0.862789 0.862788 0.411635 S\n0.862789 0.411635 0.862789 S\n0.411635 0.862788 0.862789 S\n0.862789 0.862788 0.862789 S\n0.382288 0.382288 0.853137 S\n0.382288 0.853137 0.382288 S\n0.853138 0.382288 0.382288 S\n0.382288 0.382288 0.382288 S\n",
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"density_atomic": 0.06748374782957514,
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{
"id": "jvasp-116464",
"created_at": "2022-09-04T14:38:42.251301Z",
"updated_at": "2022-09-04T14:38:42.251321Z",
"structure_string": "Nd4 Ga4 Pd4\n1.0\n4.547925 0.000000 0.000000\n0.000000 7.172159 0.000000\n-0.000000 0.000000 7.747389\nNd Ga Pd\n4 4 4\ndirect\n0.250000 0.018702 0.699120 Nd\n0.250000 0.518703 0.800881 Nd\n0.750001 0.981298 0.300881 Nd\n0.750001 0.481298 0.199119 Nd\n0.250000 0.177179 0.079033 Ga\n0.250000 0.677179 0.420967 Ga\n0.750001 0.822821 0.920967 Ga\n0.750001 0.322821 0.579033 Ga\n0.250000 0.288804 0.406974 Pd\n0.250000 0.788804 0.093026 Pd\n0.750001 0.711197 0.593026 Pd\n0.750001 0.211196 0.906974 Pd\n",
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{
"id": "jvasp-113109",
"created_at": "2022-09-04T14:38:42.256000Z",
"updated_at": "2022-09-04T14:38:42.256027Z",
"structure_string": "Co2 Ni4 P4 O16\n1.0\n4.707140 0.001890 0.004292\n-0.002263 5.846887 -0.114735\n-0.009208 -0.069963 10.173873\nCo Ni P O\n2 4 4 16\ndirect\n0.517275 0.238955 0.775738 Co\n0.017269 0.761041 0.724263 Co\n0.500504 0.501808 0.498769 Ni\n0.000477 0.498192 0.001233 Ni\n0.485602 0.755868 0.225732 Ni\n0.985598 0.244139 0.274268 Ni\n0.423493 0.248397 0.096217 P\n0.923517 0.751607 0.403780 P\n0.076032 0.253824 0.593500 P\n0.576005 0.746174 0.906498 P\n0.197614 0.055835 0.675594 O\n0.250977 0.732009 0.900276 O\n0.751006 0.267993 0.599725 O\n0.298805 0.048808 0.174100 O\n0.798826 0.951190 0.325896 O\n0.697595 0.944161 0.824404 O\n0.194726 0.252665 0.451361 O\n0.766178 0.533569 0.336835 O\n0.808581 0.747511 0.546903 O\n0.308554 0.252495 0.953095 O\n0.266160 0.466436 0.163166 O\n0.249109 0.735176 0.398403 O\n0.731140 0.529217 0.839156 O\n0.231167 0.470782 0.660841 O\n0.694702 0.747332 0.048636 O\n0.749086 0.264829 0.101597 O\n",
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{
"id": "jvasp-112591",
"created_at": "2022-09-04T14:38:42.256036Z",
"updated_at": "2022-09-04T14:38:42.256070Z",
"structure_string": "Ho4 Mn2 Ni2 O12\n1.0\n5.595975 0.000000 0.000000\n-0.000000 4.277836 2.912684\n-0.000000 0.010608 8.999454\nHo Mn Ni O\n4 2 2 12\ndirect\n0.078050 0.726568 0.750837 Ho\n0.921950 0.273434 0.249162 Ho\n0.578051 0.273434 0.749161 Ho\n0.421950 0.726567 0.250837 Ho\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 -0.000000 Ni\n0.000000 0.500001 0.499999 Ni\n0.683500 0.355614 0.447563 O\n0.316501 0.644387 0.552436 O\n0.705910 0.765471 0.058191 O\n0.294091 0.234530 0.941808 O\n0.205910 0.234530 0.441809 O\n0.537494 0.130591 0.256984 O\n0.037494 0.869410 0.243015 O\n0.962507 0.130592 0.756984 O\n0.816502 0.355614 0.947562 O\n0.462507 0.869410 0.743015 O\n0.794091 0.765471 0.558190 O\n0.183499 0.644387 0.052436 O\n",
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{
"id": "jvasp-114888",
"created_at": "2022-09-04T14:38:42.256629Z",
"updated_at": "2022-09-04T14:38:42.256655Z",
"structure_string": "Al1 B1 N1\n1.0\n5.066373 -0.826419 0.000000\n-3.098806 2.934894 0.000000\n0.000000 0.000000 3.338546\nAl B N\n1 1 1\ndirect\n0.334952 0.044617 0.000000 Al\n0.832068 0.133541 0.000000 B\n0.832976 0.821838 0.000000 N\n",
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}
]
}