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{
"id": "jvasp-68622",
"created_at": "2022-09-04T14:35:46.499173Z",
"updated_at": "2022-09-04T14:35:46.499207Z",
"structure_string": "Be2 Cd1 P1\n1.0\n3.093792 -0.000000 -0.000000\n0.000000 3.093792 -0.000000\n-0.000000 0.000000 5.840335\nBe Cd P\n2 1 1\ndirect\n0.000000 0.000000 0.677007 Be\n0.000000 0.000000 0.322994 Be\n0.500000 0.500000 0.000000 Cd\n0.500000 0.500000 0.500000 P\n",
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"volume": 55.90105227419641,
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"formula_full": "Be2 Cd1 P1",
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{
"id": "jvasp-117662",
"created_at": "2022-09-04T14:38:53.403550Z",
"updated_at": "2022-09-04T14:38:53.403566Z",
"structure_string": "Be1 Cd1 P1\n1.0\n6.198800 0.646766 0.000000\n0.705805 3.612329 0.000000\n0.000000 0.000000 2.724436\nBe Cd P\n1 1 1\ndirect\n-0.160826 -0.127185 0.000000 Be\n0.435503 0.075005 0.000000 Cd\n-0.002650 0.294469 0.000000 P\n",
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{
"id": "jvasp-117663",
"created_at": "2022-09-04T14:38:53.553191Z",
"updated_at": "2022-09-04T14:38:53.553228Z",
"structure_string": "Be1 Cd1 P1\n1.0\n4.457923 0.000000 0.000000\n-2.228961 3.860674 -0.000000\n-0.000000 0.000000 4.221800\nBe Cd P\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.333333 0.666666 0.000000 Cd\n0.666666 0.333333 0.000000 P\n",
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"formula_full": "Be1 Cd1 P1",
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"spacegroup": 187
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{
"id": "jvasp-51234",
"created_at": "2022-09-04T14:36:53.168749Z",
"updated_at": "2022-09-04T14:36:53.168767Z",
"structure_string": "Be2 Cd1 P1\n1.0\n0.000000 3.058233 3.058233\n3.058233 0.000000 3.058233\n3.058233 3.058233 -0.000000\nBe Cd P\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Be\n0.749999 0.749999 0.749999 Be\n0.000000 0.000000 0.000000 Cd\n0.499999 0.499999 0.499999 P\n",
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"density": 4.685279209588473,
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"volume": 57.20601642699187,
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"formula_full": "Be2 Cd1 P1",
"formula_reduced": "Be2CdP",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-22922",
"created_at": "2022-09-04T14:37:30.883792Z",
"updated_at": "2022-09-04T14:37:30.883809Z",
"structure_string": "Be6 Cd8 Si6 S2 O24\n1.0\n8.535075 -0.000000 0.000000\n0.000000 8.535075 0.000000\n0.000000 0.000000 8.535075\nBe Cd Si S O\n6 8 6 2 24\ndirect\n0.250000 0.500000 0.000000 Be\n0.500000 0.000000 0.750000 Be\n0.500000 0.000000 0.250000 Be\n0.000000 0.250000 0.500000 Be\n0.000000 0.750000 0.500000 Be\n0.750000 0.500000 0.000000 Be\n0.330039 0.330039 0.669961 Cd\n0.169961 0.169961 0.169961 Cd\n0.669961 0.669961 0.669961 Cd\n0.830039 0.169961 0.830039 Cd\n0.830039 0.830039 0.169961 Cd\n0.669961 0.330039 0.330039 Cd\n0.330039 0.669961 0.330039 Cd\n0.169961 0.830039 0.830039 Cd\n0.000000 0.500000 0.250000 Si\n0.000000 0.500000 0.750000 Si\n0.250000 0.000000 0.500000 Si\n0.500000 0.250000 0.000000 Si\n0.500000 0.750000 0.000000 Si\n0.750000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 S\n0.356277 0.643434 0.072135 O\n0.356566 0.072135 0.643724 O\n0.072135 0.356277 0.643434 O\n0.072135 0.643724 0.356566 O\n0.643434 0.927866 0.643724 O\n0.927866 0.643724 0.643434 O\n0.643434 0.072135 0.356277 O\n0.356566 0.927866 0.356277 O\n0.927866 0.356277 0.356566 O\n0.143434 0.856277 0.572135 O\n0.856567 0.143723 0.572135 O\n0.856277 0.427865 0.856567 O\n0.572135 0.143434 0.856277 O\n0.143723 0.572135 0.856567 O\n0.143723 0.427865 0.143434 O\n0.356277 0.356566 0.927866 O\n0.143434 0.143723 0.427865 O\n0.856567 0.856277 0.427865 O\n0.572135 0.856567 0.143723 O\n0.427865 0.856567 0.856277 O\n0.856277 0.572135 0.143434 O\n0.643724 0.356566 0.072135 O\n0.427865 0.143434 0.143723 O\n0.643724 0.643434 0.927866 O\n",
"nsites": 46,
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"elements": [
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"density": 4.192990450171913,
"density_atomic": 0.07398365902327651,
"volume": 621.7589209196536,
"volume_molar": 8.13982552296492,
"formula_full": "Be6 Cd8 Si6 S2 O24",
"formula_reduced": "Be3Cd4Si3SO12",
"formula_anonymous": "AB3C3D4E12",
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"spacegroup": 218
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{
"id": "jvasp-22856",
"created_at": "2022-09-04T14:37:32.173520Z",
"updated_at": "2022-09-04T14:37:32.173539Z",
"structure_string": "Be6 Cd8 Si6 Te2 O24\n1.0\n8.659008 -0.000000 -0.000000\n0.000000 8.659008 0.000000\n-0.000000 -0.000000 8.659008\nBe Cd Si Te O\n6 8 6 2 24\ndirect\n0.250000 0.500000 0.000000 Be\n0.500000 0.000000 0.750000 Be\n0.500000 0.000000 0.250000 Be\n0.000000 0.250000 0.500000 Be\n0.000000 0.750000 0.500000 Be\n0.750000 0.500000 0.000000 Be\n0.684066 0.684066 0.684066 Cd\n0.815934 0.184066 0.815934 Cd\n0.184066 0.815934 0.815934 Cd\n0.815934 0.815934 0.184066 Cd\n0.315934 0.315934 0.684066 Cd\n0.315934 0.684066 0.315934 Cd\n0.184066 0.184066 0.184066 Cd\n0.684066 0.315934 0.315934 Cd\n0.000000 0.500000 0.750000 Si\n0.250000 0.000000 0.500000 Si\n0.000000 0.500000 0.250000 Si\n0.500000 0.250000 0.000000 Si\n0.500000 0.750000 0.000000 Si\n0.750000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.354126 0.645744 0.063707 O\n0.354256 0.063707 0.645874 O\n0.063707 0.354126 0.645744 O\n0.063707 0.645874 0.354256 O\n0.645744 0.936294 0.645874 O\n0.936294 0.645874 0.645744 O\n0.645744 0.063707 0.354126 O\n0.354256 0.936294 0.354126 O\n0.936294 0.354126 0.354256 O\n0.145744 0.854126 0.563707 O\n0.854256 0.145874 0.563707 O\n0.854126 0.436294 0.854256 O\n0.563707 0.145744 0.854126 O\n0.145874 0.563707 0.854256 O\n0.145874 0.436294 0.145744 O\n0.354126 0.354256 0.936294 O\n0.145744 0.145874 0.436294 O\n0.854256 0.854126 0.436294 O\n0.563707 0.854256 0.145874 O\n0.436294 0.854256 0.854126 O\n0.854126 0.563707 0.145744 O\n0.645874 0.354256 0.063707 O\n0.436294 0.145744 0.145874 O\n0.645874 0.645744 0.936294 O\n",
"nsites": 46,
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"elements": [
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],
"chemical_system": "Be-Cd-O-Si-Te",
"density": 4.504211257072743,
"density_atomic": 0.07085221128115808,
"volume": 649.2387346594065,
"volume_molar": 8.499580536876602,
"formula_full": "Be6 Cd8 Si6 Te2 O24",
"formula_reduced": "Be3Cd4Si3TeO12",
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"spacegroup": 218
},
{
"id": "jvasp-22783",
"created_at": "2022-09-04T14:37:40.601540Z",
"updated_at": "2022-09-04T14:37:40.601562Z",
"structure_string": "Be6 Cd8 Si6 Se2 O24\n1.0\n8.585742 -0.000000 0.000000\n0.000000 8.585742 0.000000\n-0.000000 0.000000 8.585742\nBe Cd Si Se O\n6 8 6 2 24\ndirect\n0.250000 0.500000 0.000000 Be\n0.500000 0.000000 0.750000 Be\n0.500000 0.000000 0.250000 Be\n0.000000 0.250000 0.500000 Be\n0.000000 0.750000 0.500000 Be\n0.750000 0.500000 0.000000 Be\n0.324394 0.324394 0.675606 Cd\n0.175606 0.175606 0.175606 Cd\n0.675606 0.675606 0.675606 Cd\n0.824394 0.175606 0.824394 Cd\n0.824394 0.824394 0.175606 Cd\n0.675606 0.324394 0.324394 Cd\n0.324394 0.675606 0.324394 Cd\n0.175606 0.824394 0.824394 Cd\n0.000000 0.500000 0.250000 Si\n0.000000 0.500000 0.750000 Si\n0.250000 0.000000 0.500000 Si\n0.500000 0.250000 0.000000 Si\n0.500000 0.750000 0.000000 Si\n0.750000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 0.500000 Se\n0.355425 0.644345 0.068787 O\n0.355655 0.068787 0.644574 O\n0.068787 0.355425 0.644345 O\n0.068787 0.644574 0.355655 O\n0.644345 0.931213 0.644574 O\n0.931213 0.644574 0.644345 O\n0.644345 0.068787 0.355425 O\n0.355655 0.931213 0.355425 O\n0.931213 0.355425 0.355655 O\n0.144345 0.855425 0.568787 O\n0.855655 0.144574 0.568787 O\n0.855425 0.431213 0.855655 O\n0.568787 0.144345 0.855425 O\n0.144574 0.568787 0.855655 O\n0.144574 0.431213 0.144345 O\n0.355425 0.355655 0.931213 O\n0.144345 0.144574 0.431213 O\n0.855655 0.855425 0.431213 O\n0.568787 0.855655 0.144574 O\n0.431213 0.855655 0.855425 O\n0.855425 0.568787 0.144345 O\n0.644574 0.355655 0.068787 O\n0.431213 0.144345 0.144574 O\n0.644574 0.644345 0.931213 O\n",
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"density_atomic": 0.07268157503926204,
"volume": 632.8976769580344,
"volume_molar": 8.285649776778895,
"formula_full": "Be6 Cd8 Si6 Se2 O24",
"formula_reduced": "Be3Cd4Si3SeO12",
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{
"id": "jvasp-70992",
"created_at": "2022-09-04T14:36:20.000622Z",
"updated_at": "2022-09-04T14:36:20.000651Z",
"structure_string": "Be1 Cd1 Os2\n1.0\n2.882226 0.000000 0.000000\n0.000000 2.882226 0.000000\n0.000000 -0.000000 6.848062\nBe Cd Os\n1 1 2\ndirect\n0.000000 0.000000 0.460950 Be\n0.500001 0.500001 0.725987 Cd\n0.000000 0.000000 0.031867 Os\n0.500001 0.500001 0.281195 Os\n",
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"spacegroup": 99
},
{
"id": "jvasp-67660",
"created_at": "2022-09-04T14:35:53.111173Z",
"updated_at": "2022-09-04T14:35:53.111194Z",
"structure_string": "Be1 Cd4 Os1\n1.0\n0.000000 3.844197 3.844197\n3.844197 -0.000000 3.844197\n3.844197 3.844197 0.000000\nBe Cd Os\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125834 0.624723 0.624723 Cd\n0.624723 0.624723 0.624723 Cd\n0.624723 0.125834 0.624723 Cd\n0.624723 0.624723 0.125834 Cd\n0.250000 0.250000 0.250000 Os\n",
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},
{
"id": "jvasp-70258",
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"updated_at": "2022-09-04T14:36:08.683858Z",
"structure_string": "Be2 Cd1 Os1\n1.0\n-1.704953 1.704953 4.363120\n1.704953 -1.704953 4.363120\n1.704953 1.704953 -4.363120\nBe Cd Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.500000 0.500000 0.000000 Cd\n0.749999 0.250000 0.499999 Os\n",
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},
{
"id": "jvasp-65156",
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"updated_at": "2022-09-04T14:35:58.999970Z",
"structure_string": "Be1 Cd4 Ni1\n1.0\n0.000000 3.882540 3.882540\n3.882540 -0.000000 3.882540\n3.882540 3.882540 0.000000\nBe Cd Ni\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125468 0.624844 0.624844 Cd\n0.624844 0.624844 0.624844 Cd\n0.624844 0.125468 0.624844 Cd\n0.624844 0.624844 0.125468 Cd\n0.250000 0.250000 0.250000 Ni\n",
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],
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"density": 7.339312638143152,
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"volume": 117.05172328202214,
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"formula_full": "Be1 Cd4 Ni1",
"formula_reduced": "BeCd4Ni",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-70617",
"created_at": "2022-09-04T14:35:57.898305Z",
"updated_at": "2022-09-04T14:35:57.898326Z",
"structure_string": "Be2 Cd1 Ni1\n1.0\n-1.744955 1.744955 3.883537\n1.744955 -1.744955 3.883537\n1.744955 1.744955 -3.883537\nBe Cd Ni\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.500000 0.500000 0.000000 Cd\n0.749999 0.250000 0.499999 Ni\n",
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}
]
}