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{
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"results": [
{
"id": "jvasp-57638",
"created_at": "2022-09-04T14:38:36.694286Z",
"updated_at": "2022-09-04T14:38:36.694317Z",
"structure_string": "Ca4 Cd8\n1.0\n3.008589 -5.211028 0.000000\n3.008589 5.211028 -0.000000\n0.000000 -0.000000 9.578587\nCa Cd\n4 8\ndirect\n0.333333 0.666667 0.059836 Ca\n0.666667 0.333333 0.559836 Ca\n0.666667 0.333333 0.940165 Ca\n0.333333 0.666667 0.440164 Ca\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.341753 0.170876 0.250000 Cd\n0.170876 0.341753 0.750000 Cd\n0.170876 0.829124 0.750000 Cd\n0.829124 0.170876 0.250000 Cd\n0.829124 0.658247 0.250000 Cd\n0.658247 0.829124 0.750000 Cd\n",
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{
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"structure_string": "Pm6 Hg2\n1.0\n7.007413 0.000000 0.000000\n-3.503707 6.068597 0.000000\n-0.000000 -0.000000 5.495054\nPm Hg\n6 2\ndirect\n0.174392 0.348784 0.250000 Pm\n0.651216 0.825608 0.250000 Pm\n0.174392 0.825608 0.250000 Pm\n0.825607 0.651217 0.749999 Pm\n0.348783 0.174392 0.749999 Pm\n0.825607 0.174392 0.749999 Pm\n0.333333 0.666667 0.749999 Hg\n0.666666 0.333333 0.250000 Hg\n",
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{
"id": "jvasp-119641",
"created_at": "2022-09-04T14:38:36.540627Z",
"updated_at": "2022-09-04T14:38:36.540653Z",
"structure_string": "Dy4 Zn4 Sn4\n1.0\n4.484122 0.000000 0.000000\n-2.242061 3.883363 0.000000\n-0.000000 -0.000000 15.891125\nDy Zn Sn\n4 4 4\ndirect\n0.000000 0.000000 0.250000 Dy\n0.000000 0.000000 0.750000 Dy\n0.000000 0.000000 0.000000 Dy\n0.000000 0.000000 0.500000 Dy\n0.333333 0.666666 0.161974 Zn\n0.666666 0.333333 0.838026 Zn\n0.666666 0.333333 0.661974 Zn\n0.333333 0.666666 0.338026 Zn\n0.333333 0.666666 0.612595 Sn\n0.666666 0.333333 0.387405 Sn\n0.666666 0.333333 0.112595 Sn\n0.333333 0.666666 0.887405 Sn\n",
"nsites": 12,
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"elements": [
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"density_atomic": 0.04336518403525433,
"volume": 276.7196834733696,
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"formula_full": "Dy4 Zn4 Sn4",
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"formula_anonymous": "ABC",
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"spacegroup": 194
},
{
"id": "jvasp-109919",
"created_at": "2022-09-04T14:38:36.562026Z",
"updated_at": "2022-09-04T14:38:36.562044Z",
"structure_string": "Ac2 La6\n1.0\n7.625580 -0.000000 0.000000\n-3.812790 6.603946 0.000000\n-0.000000 -0.000000 6.151167\nAc La\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333334 0.250000 Ac\n0.164185 0.328371 0.250000 La\n0.671630 0.835815 0.250000 La\n0.164185 0.835815 0.250000 La\n0.835815 0.671630 0.750000 La\n0.328371 0.164185 0.750000 La\n0.835815 0.164185 0.750000 La\n",
"nsites": 8,
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"elements": [
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"La"
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"density": 6.901440699607298,
"density_atomic": 0.02582593620951237,
"volume": 309.76611787081663,
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"formula_full": "Ac2 La6",
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"spacegroup": 194
},
{
"id": "jvasp-110787",
"created_at": "2022-09-04T14:38:36.931190Z",
"updated_at": "2022-09-04T14:38:36.931216Z",
"structure_string": "Er2 Sb6\n1.0\n6.575839 -0.000000 0.000000\n-3.287919 5.694843 0.000000\n0.000000 0.000000 5.808320\nEr Sb\n2 6\ndirect\n0.333333 0.666666 0.750000 Er\n0.666667 0.333333 0.250000 Er\n0.175415 0.350830 0.250000 Sb\n0.649170 0.824584 0.250000 Sb\n0.175415 0.824584 0.250000 Sb\n0.824584 0.649170 0.750000 Sb\n0.350830 0.175415 0.750000 Sb\n0.824585 0.175415 0.750000 Sb\n",
"nsites": 8,
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"elements": [
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"volume": 217.51212049421625,
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"formula_full": "Er2 Sb6",
"formula_reduced": "ErSb3",
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"spacegroup": 194
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{
"id": "jvasp-110757",
"created_at": "2022-09-04T14:38:36.794492Z",
"updated_at": "2022-09-04T14:38:36.794527Z",
"structure_string": "Ca6 Lu2\n1.0\n7.445479 0.000000 0.000000\n-3.722740 6.447973 0.000000\n-0.000000 -0.000000 6.100322\nCa Lu\n6 2\ndirect\n0.341474 0.170737 0.750000 Ca\n0.829263 0.658525 0.750000 Ca\n0.170737 0.829262 0.250000 Ca\n0.658525 0.829262 0.250000 Ca\n0.170737 0.341474 0.250000 Ca\n0.829263 0.170737 0.750000 Ca\n0.666667 0.333333 0.250000 Lu\n0.333333 0.666666 0.750000 Lu\n",
"nsites": 8,
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"elements": [
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"Lu"
],
"chemical_system": "Ca-Lu",
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"volume": 292.8657687965243,
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"formula_full": "Ca6 Lu2",
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{
"id": "jvasp-30923",
"created_at": "2022-09-04T14:38:36.719474Z",
"updated_at": "2022-09-04T14:38:36.719484Z",
"structure_string": "Sn6 Pt4\n1.0\n2.212950 -3.832942 0.000000\n2.212950 3.832942 -0.000000\n-0.000000 0.000000 13.232014\nSn Pt\n6 4\ndirect\n0.666667 0.333333 0.928499 Sn\n0.333333 0.666667 0.071501 Sn\n0.666667 0.333333 0.571501 Sn\n0.333333 0.666667 0.428499 Sn\n0.000000 0.000000 0.750000 Sn\n0.000000 0.000000 0.250000 Sn\n0.333333 0.666667 0.856618 Pt\n0.666667 0.333333 0.356618 Pt\n0.333333 0.666667 0.643381 Pt\n0.666667 0.333333 0.143382 Pt\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Sn",
"Pt"
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"chemical_system": "Pt-Sn",
"density": 11.04158892555866,
"density_atomic": 0.04454923016459265,
"volume": 224.47077004594158,
"volume_molar": 13.517945737222519,
"formula_full": "Sn6 Pt4",
"formula_reduced": "Sn3Pt2",
"formula_anonymous": "A2B3",
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"spacegroup": 194
},
{
"id": "jvasp-21705",
"created_at": "2022-09-04T14:38:36.722916Z",
"updated_at": "2022-09-04T14:38:36.722947Z",
"structure_string": "Tm4 Ni2 As4\n1.0\n2.033414 -3.521976 -0.000000\n2.033414 3.521976 -0.000000\n-0.000000 -0.000000 13.925114\nTm Ni As\n4 2 4\ndirect\n0.333332 0.666666 0.882872 Tm\n0.666666 0.333332 0.382872 Tm\n0.666666 0.333332 0.117128 Tm\n0.333332 0.666666 0.617128 Tm\n0.000000 0.000000 0.750000 Ni\n0.000000 0.000000 0.250000 Ni\n0.000000 0.000000 0.000000 As\n0.333332 0.666666 0.250000 As\n0.666666 0.333332 0.750000 As\n0.000000 0.000000 0.500000 As\n",
"nsites": 10,
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"elements": [
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"As"
],
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"density": 9.098144231304097,
"density_atomic": 0.050137080763487156,
"volume": 199.4531761267322,
"volume_molar": 12.011351016642527,
"formula_full": "Tm4 Ni2 As4",
"formula_reduced": "Tm2NiAs2",
"formula_anonymous": "AB2C2",
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"spacegroup": 194
},
{
"id": "jvasp-119675",
"created_at": "2022-09-04T14:38:36.723680Z",
"updated_at": "2022-09-04T14:38:36.723719Z",
"structure_string": "Cr2 Co6 N6\n1.0\n6.339860 -0.064894 0.000000\n-3.116810 5.523570 0.000000\n-0.000000 -0.000000 3.885238\nCr Co N\n2 6 6\ndirect\n0.666683 0.333340 0.750000 Cr\n0.333318 0.666661 0.250000 Cr\n0.819226 0.638472 0.250000 Co\n0.819171 0.180744 0.250000 Co\n0.361471 0.180766 0.250000 Co\n0.180775 0.361528 0.750000 Co\n0.180830 0.819257 0.750000 Co\n0.638529 0.819235 0.750000 Co\n0.830643 0.661288 0.750000 N\n0.830577 0.169329 0.750000 N\n0.338652 0.169363 0.750000 N\n0.169358 0.338713 0.250000 N\n0.169424 0.830671 0.250000 N\n0.661349 0.830638 0.250000 N\n",
"nsites": 14,
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"elements": [
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"Co",
"N"
],
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"density": 6.648927517879358,
"density_atomic": 0.10349671530660927,
"volume": 135.26999343433235,
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"formula_full": "Cr2 Co6 N6",
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"formula_anonymous": "AB3C3",
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{
"id": "jvasp-110841",
"created_at": "2022-09-04T14:38:37.181570Z",
"updated_at": "2022-09-04T14:38:37.181588Z",
"structure_string": "Nd2 Hg6\n1.0\n6.779482 0.000000 0.000000\n-3.389742 5.871204 0.000000\n0.000000 -0.000000 5.077426\nNd Hg\n2 6\ndirect\n0.333333 0.666666 0.750001 Nd\n0.666666 0.333333 0.250000 Nd\n0.835755 0.164245 0.750001 Hg\n0.328489 0.164245 0.750001 Hg\n0.835755 0.671511 0.750001 Hg\n0.164245 0.835754 0.250000 Hg\n0.671511 0.835754 0.250000 Hg\n0.164245 0.328489 0.250000 Hg\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.039584275616168195,
"volume": 202.10045214853952,
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"formula_full": "Nd2 Hg6",
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},
{
"id": "jvasp-59088",
"created_at": "2022-09-04T14:38:36.927894Z",
"updated_at": "2022-09-04T14:38:36.927915Z",
"structure_string": "Rb6 Os4 Br18\n1.0\n3.702485 -6.412892 -0.000000\n3.702485 6.412892 0.000000\n-0.000000 -0.000000 17.878576\nRb Os Br\n6 4 18\ndirect\n0.333332 0.666666 0.430482 Rb\n0.666666 0.333332 0.930483 Rb\n0.666666 0.333332 0.569518 Rb\n0.333332 0.666666 0.069518 Rb\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.250000 Rb\n0.666666 0.333332 0.325879 Os\n0.333332 0.666666 0.825880 Os\n0.666666 0.333332 0.174121 Os\n0.333332 0.666666 0.674121 Os\n0.652997 0.826497 0.592142 Br\n0.173501 0.826498 0.592142 Br\n0.826497 0.652997 0.407859 Br\n0.347002 0.173501 0.407859 Br\n0.652997 0.826497 0.907859 Br\n0.173501 0.347002 0.907859 Br\n0.826498 0.173501 0.407859 Br\n0.347002 0.173501 0.092141 Br\n-0.006462 0.496769 0.750000 Br\n0.826497 0.652997 0.092141 Br\n0.496769 0.503230 0.250000 Br\n0.503230 0.006462 0.750000 Br\n0.173501 0.347002 0.592142 Br\n0.006462 0.503230 0.250000 Br\n0.496769 -0.006462 0.250000 Br\n0.503230 0.496769 0.750000 Br\n0.826498 0.173501 0.092141 Br\n0.173501 0.826498 0.907859 Br\n",
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],
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"density_atomic": 0.032979789320561996,
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"formula_full": "Rb6 Os4 Br18",
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{
"id": "jvasp-110802",
"created_at": "2022-09-04T14:38:37.184544Z",
"updated_at": "2022-09-04T14:38:37.184569Z",
"structure_string": "Hg6 Pd2\n1.0\n5.980484 -0.000000 0.000000\n-2.990242 5.179251 0.000000\n0.000000 0.000000 5.371174\nHg Pd\n6 2\ndirect\n0.830946 0.169054 0.749999 Hg\n0.338107 0.169054 0.749999 Hg\n0.830946 0.661893 0.749999 Hg\n0.169054 0.830946 0.250000 Hg\n0.661893 0.830946 0.250000 Hg\n0.169054 0.338107 0.250000 Hg\n0.666666 0.333333 0.250000 Pd\n0.333333 0.666667 0.749999 Pd\n",
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"formula_full": "Hg6 Pd2",
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}
]
}