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{
"id": "jvasp-95419",
"created_at": "2022-09-04T14:36:03.575858Z",
"updated_at": "2022-09-04T14:36:03.575878Z",
"structure_string": "Ge8 Br16\n1.0\n6.833658 0.000000 -1.426226\n0.000000 8.063279 0.000000\n0.318048 0.000000 12.921432\nGe Br\n8 16\ndirect\n0.750042 0.874892 -0.000010 Ge\n0.749959 0.374892 0.000009 Ge\n0.249959 0.125108 0.000009 Ge\n0.250041 0.625108 -0.000009 Ge\n0.749933 0.624899 0.500112 Ge\n0.750068 0.124899 0.499887 Ge\n0.250068 0.375101 0.499887 Ge\n0.249932 0.875101 0.500112 Ge\n0.626054 0.375183 0.627889 Br\n0.873947 0.875183 0.372111 Br\n0.374046 0.874727 0.872125 Br\n0.125954 0.374727 0.127875 Br\n0.625954 0.125273 0.127875 Br\n0.874047 0.625273 0.872125 Br\n0.126077 0.875010 0.127915 Br\n0.125991 0.624988 0.627907 Br\n0.873923 0.124990 0.872085 Br\n0.626078 0.624990 0.127915 Br\n0.126053 0.124817 0.627889 Br\n0.374009 0.124988 0.372093 Br\n0.874009 0.375012 0.372093 Br\n0.625992 0.875012 0.627907 Br\n0.373923 0.375010 0.872085 Br\n0.373947 0.624817 0.372111 Br\n",
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{
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"structure_string": "Mg6 Ti1 Ga1\n1.0\n6.283662 -0.015895 0.000000\n-3.155597 5.433862 0.000000\n0.000000 0.000000 4.825517\nMg Ti Ga\n6 1 1\ndirect\n0.171864 0.832688 0.250000 Mg\n0.667312 0.328136 0.250000 Mg\n0.667474 0.832526 0.250000 Mg\n0.328886 0.658682 0.750000 Mg\n0.841318 0.171114 0.750000 Mg\n0.830836 0.669165 0.750000 Mg\n0.177586 0.322414 0.250000 Ti\n0.314723 0.185277 0.750000 Ga\n",
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{
"id": "jvasp-90704",
"created_at": "2022-09-04T14:36:07.076341Z",
"updated_at": "2022-09-04T14:36:07.076366Z",
"structure_string": "K4 Bi2 Au2\n1.0\n0.000000 -0.000000 6.740248\n5.321164 3.921546 0.000000\n-5.321164 3.921546 0.000000\nK Bi Au\n4 2 2\ndirect\n0.250000 0.855217 0.512501 K\n0.750000 0.487500 0.144784 K\n0.750000 0.144784 0.487500 K\n0.250000 0.512501 0.855217 K\n0.250000 0.283227 0.283227 Bi\n0.750000 0.716774 0.716774 Bi\n0.500000 0.000000 0.000000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.028439382160422355,
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"formula_full": "K4 Bi2 Au2",
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{
"id": "jvasp-63821",
"created_at": "2022-09-04T14:36:00.500544Z",
"updated_at": "2022-09-04T14:36:00.500571Z",
"structure_string": "Na4 Bi2 Au2\n1.0\n3.807879 -4.730885 0.000000\n3.807879 4.730885 0.000000\n-0.000000 0.000000 5.965186\nNa Bi Au\n4 2 2\ndirect\n0.863084 0.503513 0.750001 Na\n0.136916 0.496487 0.250000 Na\n0.503513 0.863084 0.750001 Na\n0.496487 0.136916 0.250000 Na\n0.314059 0.314059 0.750001 Bi\n0.685942 0.685942 0.250000 Bi\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n",
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{
"id": "jvasp-70396",
"created_at": "2022-09-04T14:35:56.571262Z",
"updated_at": "2022-09-04T14:35:56.571287Z",
"structure_string": "K2 Ca2 Be1\n1.0\n-2.376390 2.376390 10.792089\n2.376390 -2.376390 10.792089\n2.376390 2.376390 -10.792089\nK Ca Be\n2 2 1\ndirect\n0.584700 0.584700 0.000000 K\n0.415300 0.415300 0.000000 K\n0.750000 0.250000 0.500000 Ca\n0.250000 0.750000 0.500000 Ca\n0.000000 0.000000 0.000000 Be\n",
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{
"id": "jvasp-108156",
"created_at": "2022-09-04T14:36:07.929501Z",
"updated_at": "2022-09-04T14:36:07.929524Z",
"structure_string": "Ba1 Sn1 F4\n1.0\n4.101096 -0.007918 6.074025\n1.852711 3.658759 6.074025\n-0.012912 -0.007918 7.328888\nBa Sn F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500001 0.500000 0.499999 Sn\n0.620618 0.620617 0.620616 F\n0.130542 0.130541 0.130541 F\n0.869460 0.869458 0.869457 F\n0.379383 0.379382 0.379382 F\n",
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{
"id": "jvasp-75827",
"created_at": "2022-09-04T14:36:07.610273Z",
"updated_at": "2022-09-04T14:36:07.610301Z",
"structure_string": "Zn2 Cu1 As1\n1.0\n0.000000 3.172368 3.172368\n3.172368 -0.000000 3.172368\n3.172368 3.172368 0.000000\nZn Cu As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 As\n",
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},
{
"id": "jvasp-91868",
"created_at": "2022-09-04T14:35:57.444606Z",
"updated_at": "2022-09-04T14:35:57.444633Z",
"structure_string": "Mg7 B1\n1.0\n6.149992 -0.000000 0.000000\n-3.074995 5.326048 -0.000000\n0.000000 0.000000 4.872530\nMg B\n7 1\ndirect\n0.165792 0.832896 0.250000 Mg\n0.667104 0.334208 0.250000 Mg\n0.667104 0.832896 0.250000 Mg\n0.325919 0.174081 0.750000 Mg\n0.325919 0.651840 0.750000 Mg\n0.848160 0.174081 0.750000 Mg\n0.833332 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 B\n",
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{
"id": "jvasp-90850",
"created_at": "2022-09-04T14:36:01.070804Z",
"updated_at": "2022-09-04T14:36:01.070828Z",
"structure_string": "Sr2 Ag2 Te2 F2\n1.0\n4.340813 -0.000000 0.000000\n0.000000 4.340813 0.000000\n-0.000000 0.000000 9.642645\nSr Ag Te F\n2 2 2 2\ndirect\n0.749999 0.749999 0.863256 Sr\n0.250000 0.250000 0.136744 Sr\n0.250000 0.749999 0.500000 Ag\n0.749999 0.250000 0.500000 Ag\n0.749999 0.749999 0.298975 Te\n0.250000 0.250000 0.701025 Te\n0.250000 0.749999 0.000000 F\n0.749999 0.250000 0.000000 F\n",
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"spacegroup": 129
},
{
"id": "jvasp-71562",
"created_at": "2022-09-04T14:35:57.420105Z",
"updated_at": "2022-09-04T14:35:57.420127Z",
"structure_string": "Be1 Cd2 Br1\n1.0\n3.211721 0.000000 -0.000000\n-0.000000 3.211721 0.000000\n0.000000 -0.000000 8.403898\nBe Cd Br\n1 2 1\ndirect\n0.000000 0.000000 0.503816 Be\n0.000000 0.000000 0.027423 Cd\n0.500000 0.500000 0.298675 Cd\n0.500000 0.500000 0.670086 Br\n",
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{
"id": "jvasp-94805",
"created_at": "2022-09-04T14:36:00.090655Z",
"updated_at": "2022-09-04T14:36:00.090680Z",
"structure_string": "K1 Mg6 Sn1\n1.0\n7.771446 0.840565 0.000000\n-3.157773 5.469423 0.000000\n0.000000 0.000000 4.966167\nK Mg Sn\n1 6 1\ndirect\n0.091482 0.795740 0.250000 K\n0.641968 0.308844 0.250000 Mg\n0.641968 0.833122 0.250000 Mg\n0.362772 0.172465 0.750000 Mg\n0.362772 0.690307 0.750000 Mg\n0.865412 0.182706 0.750000 Mg\n0.753705 0.626852 0.750000 Mg\n0.279930 0.389966 0.250000 Sn\n",
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{
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"created_at": "2022-09-04T14:35:53.696802Z",
"updated_at": "2022-09-04T14:35:53.696818Z",
"structure_string": "Ce1 Mg7\n1.0\n6.667764 -0.000000 -0.000000\n-3.333882 5.774452 0.000000\n0.000000 0.000000 5.144415\nCe Mg\n1 7\ndirect\n0.166667 0.333333 0.250000 Ce\n0.176378 0.838189 0.250000 Mg\n0.661811 0.323622 0.250000 Mg\n0.661811 0.838189 0.250000 Mg\n0.336242 0.163758 0.750001 Mg\n0.336242 0.672486 0.750001 Mg\n0.827514 0.163758 0.750001 Mg\n0.833333 0.666667 0.750001 Mg\n",
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}