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{
"id": "jvasp-38935",
"created_at": "2022-09-04T14:37:59.730160Z",
"updated_at": "2022-09-04T14:37:59.730180Z",
"structure_string": "Mg2 Zn1 Pt1\n1.0\n0.000000 3.202590 3.202590\n3.202590 0.000000 3.202590\n3.202590 3.202590 0.000000\nMg Zn Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.499999 Mg\n0.750001 0.750001 0.750001 Zn\n0.250000 0.250000 0.250000 Pt\n",
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{
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"structure_string": "Ca2 Ga4\n1.0\n2.236646 -3.873985 0.000000\n2.236646 3.873985 -0.000000\n-0.000000 0.000000 7.344703\nCa Ga\n2 4\ndirect\n0.000000 0.000000 0.750000 Ca\n0.000000 0.000000 0.250000 Ca\n0.333334 0.666668 0.955714 Ga\n0.666668 0.333334 0.455714 Ga\n0.666668 0.333334 0.044285 Ga\n0.333334 0.666668 0.544285 Ga\n",
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{
"id": "jvasp-57079",
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"structure_string": "Rb2 Na1 Cr1 F6\n1.0\n5.154460 0.000000 2.975929\n1.718153 4.859673 2.975929\n0.000000 0.000000 5.951859\nRb Na Cr F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Cr\n0.229594 0.770405 0.770406 F\n0.229594 0.770405 0.229596 F\n0.770405 0.229595 0.770406 F\n0.229595 0.229595 0.770405 F\n0.770405 0.229595 0.229595 F\n0.770405 0.770405 0.229596 F\n",
"nsites": 10,
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{
"id": "jvasp-38259",
"created_at": "2022-09-04T14:37:50.320095Z",
"updated_at": "2022-09-04T14:37:50.320118Z",
"structure_string": "Rb3 Al1\n1.0\n0.000000 4.662834 4.662834\n4.662834 -0.000000 4.662834\n4.662834 4.662834 -0.000000\nRb Al\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.749999 0.749999 0.749999 Al\n",
"nsites": 4,
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"elements": [
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"density": 2.32084428423543,
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"volume": 202.75886867022862,
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{
"id": "jvasp-38049",
"created_at": "2022-09-04T14:38:00.844259Z",
"updated_at": "2022-09-04T14:38:00.844292Z",
"structure_string": "Li1 Tl2 In1 Cl6\n1.0\n-0.000000 5.035304 5.035304\n5.035304 0.000000 5.035304\n5.035304 5.035304 0.000000\nLi Tl In Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Tl\n0.749999 0.749999 0.749999 Tl\n0.000000 0.000000 0.000000 In\n0.250783 0.749217 0.749217 Cl\n0.250783 0.749217 0.250783 Cl\n0.749217 0.250783 0.749217 Cl\n0.749217 0.749217 0.250783 Cl\n0.250783 0.250783 0.749217 Cl\n0.749217 0.250783 0.250783 Cl\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Cl-In-Li-Tl",
"density": 4.833627659141042,
"density_atomic": 0.03916452984571415,
"volume": 255.33307917634355,
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"formula_full": "Li1 Tl2 In1 Cl6",
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{
"id": "jvasp-26494",
"created_at": "2022-09-04T14:37:50.329231Z",
"updated_at": "2022-09-04T14:37:50.329250Z",
"structure_string": "K1 Rb2 Mo1 F6\n1.0\n5.565460 0.000000 3.213218\n1.855153 5.247165 3.213218\n0.000000 0.000000 6.426439\nK Rb Mo F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750001 0.750000 Rb\n0.000000 0.000000 0.000000 Mo\n0.226604 0.773396 0.773396 F\n0.226604 0.773396 0.226605 F\n0.773395 0.226605 0.773396 F\n0.226604 0.226605 0.773396 F\n0.773395 0.226605 0.226605 F\n0.773395 0.773396 0.226605 F\n",
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"density_atomic": 0.0532848593377157,
"volume": 187.67057142106168,
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"formula_full": "K1 Rb2 Mo1 F6",
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{
"id": "jvasp-36875",
"created_at": "2022-09-04T14:38:01.447745Z",
"updated_at": "2022-09-04T14:38:01.447776Z",
"structure_string": "Tl1 Cu1 Cl3\n1.0\n4.837787 -0.001831 -0.002219\n0.001743 4.837750 -0.002364\n0.002112 0.002309 4.837694\nTl Cu Cl\n1 1 3\ndirect\n0.999996 0.987973 0.002074 Tl\n0.499976 0.488076 0.501946 Cu\n-0.000013 0.487979 0.501962 Cl\n0.500005 0.988022 0.502023 Cl\n0.500032 0.487947 0.001996 Cl\n",
"nsites": 5,
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"formula_full": "Tl1 Cu1 Cl3",
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"spacegroup": 221
},
{
"id": "jvasp-29294",
"created_at": "2022-09-04T14:38:01.498356Z",
"updated_at": "2022-09-04T14:38:01.498381Z",
"structure_string": "In8 Te8 Cl8\n1.0\n7.168749 -0.141130 0.000000\n-0.421874 7.425980 0.000000\n0.000000 0.000000 14.258320\nIn Te Cl\n8 8 8\ndirect\n0.125797 0.793128 0.025362 In\n0.374204 0.206872 0.525362 In\n0.874204 0.206872 0.974638 In\n0.625797 0.793128 0.474638 In\n0.127008 0.815002 0.312886 In\n0.372993 0.184999 0.812886 In\n0.872993 0.184999 0.687114 In\n0.627008 0.815002 0.187114 In\n0.768850 0.594098 0.327245 Te\n0.731151 0.405902 0.827245 Te\n0.231151 0.405902 0.672755 Te\n0.268850 0.594098 0.172755 Te\n0.765639 0.163455 0.495791 Te\n0.734362 0.836546 0.995791 Te\n0.234362 0.836545 0.504209 Te\n0.265639 0.163455 0.004209 Te\n0.980981 0.064456 0.234524 Cl\n0.519020 0.935544 0.734524 Cl\n0.019020 0.935544 0.765476 Cl\n0.480980 0.064456 0.265476 Cl\n0.264871 0.387332 0.396204 Cl\n0.235129 0.612668 0.896204 Cl\n0.735130 0.612668 0.603796 Cl\n0.764871 0.387332 0.103796 Cl\n",
"nsites": 24,
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"elements": [
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],
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"volume": 758.19254832916,
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"formula_full": "In8 Te8 Cl8",
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},
{
"id": "jvasp-109087",
"created_at": "2022-09-04T14:37:50.351203Z",
"updated_at": "2022-09-04T14:37:50.351244Z",
"structure_string": "Yb1 Ce1 Cd2\n1.0\n4.635477 -0.000000 2.676294\n1.545159 4.370369 2.676294\n-0.000000 -0.000000 5.352587\nYb Ce Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.499999 Ce\n0.750001 0.750000 0.749999 Cd\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
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},
{
"id": "jvasp-39389",
"created_at": "2022-09-04T14:37:50.371540Z",
"updated_at": "2022-09-04T14:37:50.371569Z",
"structure_string": "Li1 Cd3\n1.0\n-0.000000 3.432752 3.432752\n3.432752 0.000000 3.432752\n3.432752 3.432752 0.000000\nLi Cd\n1 3\ndirect\n0.749999 0.749999 0.749999 Li\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.250001 0.250001 0.250001 Cd\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-38247",
"created_at": "2022-09-04T14:37:59.597997Z",
"updated_at": "2022-09-04T14:37:59.598011Z",
"structure_string": "Rb3 Dy1\n1.0\n0.000000 5.007949 5.007949\n5.007949 -0.000000 5.007949\n5.007949 5.007949 -0.000000\nRb Dy\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250001 0.250001 0.250001 Rb\n0.750001 0.750001 0.750001 Dy\n",
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{
"id": "jvasp-51574",
"created_at": "2022-09-04T14:37:50.034330Z",
"updated_at": "2022-09-04T14:37:50.034358Z",
"structure_string": "Rb8 Cu4 Cl12\n1.0\n4.187218 -0.000000 0.000000\n0.000000 12.472052 0.000000\n0.000000 0.000000 12.982358\nRb Cu Cl\n8 4 12\ndirect\n0.750000 0.328017 0.025834 Rb\n0.250000 0.171983 0.525834 Rb\n0.750000 0.828017 0.474166 Rb\n0.250000 0.513929 0.326926 Rb\n0.750000 0.986071 0.826926 Rb\n0.250000 0.671983 0.974166 Rb\n0.750000 0.486071 0.673074 Rb\n0.250000 0.013929 0.173074 Rb\n0.750000 0.744238 0.192118 Cu\n0.250000 0.255762 0.807882 Cu\n0.750000 0.244238 0.307882 Cu\n0.250000 0.755762 0.692118 Cu\n0.250000 0.138898 0.949883 Cl\n0.250000 0.936456 0.639353 Cl\n0.750000 0.361102 0.449883 Cl\n0.250000 0.638898 0.550117 Cl\n0.250000 0.774803 0.280350 Cl\n0.250000 0.436456 0.860647 Cl\n0.750000 0.861102 0.050117 Cl\n0.750000 0.063544 0.360647 Cl\n0.250000 0.274804 0.219650 Cl\n0.750000 0.725196 0.780350 Cl\n0.750000 0.225196 0.719650 Cl\n0.750000 0.563544 0.139353 Cl\n",
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}
]
}