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{
"id": "jvasp-94727",
"created_at": "2022-09-04T14:36:19.552153Z",
"updated_at": "2022-09-04T14:36:19.552176Z",
"structure_string": "Ca1 Mg6 C1\n1.0\n10.003841 2.496855 0.000000\n-2.839580 4.918297 0.000000\n0.000000 0.000000 3.476441\nCa Mg C\n1 6 1\ndirect\n0.076301 0.288150 0.250000 Ca\n0.577785 0.284353 0.250000 Mg\n0.577785 0.793432 0.250000 Mg\n0.334986 0.149304 0.750000 Mg\n0.334986 0.685685 0.750000 Mg\n0.795891 0.147947 0.750000 Mg\n0.906474 0.703238 0.750000 Mg\n0.395793 0.947898 0.250000 C\n",
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{
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"updated_at": "2022-09-04T14:36:05.816345Z",
"structure_string": "Ca1 Mg5\n1.0\n5.891068 0.000000 -0.000000\n-2.945534 5.101815 0.000000\n-0.000000 -0.000000 5.116417\nCa Mg\n1 5\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.603977 0.000000 Mg\n0.603978 0.000000 0.000000 Mg\n0.396023 0.396022 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666666 0.500000 Mg\n",
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{
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"structure_string": "Ca1 Mg5\n1.0\n3.368042 0.000000 -0.000000\n-1.684021 2.916809 0.000000\n0.000000 -0.000000 15.748307\nCa Mg\n1 5\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.820360 Mg\n0.000000 0.000000 0.659676 Mg\n0.666667 0.333333 0.500000 Mg\n0.000000 0.000000 0.340324 Mg\n0.666667 0.333333 0.179641 Mg\n",
"nsites": 6,
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"elements": [
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"formula_full": "Ca1 Mg5",
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},
{
"id": "jvasp-100870",
"created_at": "2022-09-04T14:36:35.384783Z",
"updated_at": "2022-09-04T14:36:35.384806Z",
"structure_string": "Ca1 Mg3\n1.0\n4.540417 -0.000000 2.621411\n1.513472 4.280746 2.621411\n-0.000000 -0.000000 5.242822\nCa Mg\n1 3\ndirect\n0.500000 0.500000 0.499999 Ca\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750001 0.749999 Mg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ca-Mg",
"density": 1.8412820659282259,
"density_atomic": 0.039253616715071944,
"volume": 101.90143825560276,
"volume_molar": 15.341620120542215,
"formula_full": "Ca1 Mg3",
"formula_reduced": "CaMg3",
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"spacegroup": 225
},
{
"id": "jvasp-79196",
"created_at": "2022-09-04T14:36:38.238385Z",
"updated_at": "2022-09-04T14:36:38.238414Z",
"structure_string": "Ca1 Mg3\n1.0\n3.472911 0.000000 -0.000000\n-1.736455 3.007628 0.000000\n0.000000 -0.000000 10.576092\nCa Mg\n1 3\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Mg\n0.666666 0.333333 0.764433 Mg\n0.666666 0.333333 0.235567 Mg\n",
"nsites": 4,
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"elements": [
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"volume": 110.46965384602379,
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{
"id": "jvasp-79176",
"created_at": "2022-09-04T14:38:04.720963Z",
"updated_at": "2022-09-04T14:38:04.720989Z",
"structure_string": "Ca1 Mg3\n1.0\n6.499989 -1.741769 0.000000\n-2.379205 4.120905 0.000000\n0.000000 0.000000 4.764682\nCa Mg\n1 3\ndirect\n0.249985 0.749985 0.250000 Ca\n0.750011 0.750011 0.250000 Mg\n0.249994 0.249994 0.750000 Mg\n0.750005 0.250005 0.750000 Mg\n",
"nsites": 4,
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"elements": [
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"density": 1.7392240924755706,
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"volume": 107.88103244663927,
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"formula_full": "Ca1 Mg3",
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"spacegroup": 221
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{
"id": "jvasp-2994",
"created_at": "2022-09-04T14:36:38.523805Z",
"updated_at": "2022-09-04T14:36:38.523831Z",
"structure_string": "Ca1 Mg2 Sb2\n1.0\n2.331295 -4.037921 0.000000\n2.331295 4.037921 0.000000\n0.000000 0.000000 7.541484\nCa Mg Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666668 0.333334 0.368473 Mg\n0.333334 0.666668 0.631527 Mg\n0.333334 0.666668 0.243201 Sb\n0.666668 0.333334 0.756799 Sb\n",
"nsites": 5,
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"elements": [
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],
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"density": 3.885235285033992,
"density_atomic": 0.035215036634095316,
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"formula_full": "Ca1 Mg2 Sb2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-21813",
"created_at": "2022-09-04T14:38:34.612805Z",
"updated_at": "2022-09-04T14:38:34.612831Z",
"structure_string": "Ca1 Mg2 Ni9\n1.0\n4.641987 -0.000264 6.915318\n2.105583 4.136976 6.915318\n-0.000429 -0.000264 8.328846\nCa Mg Ni\n1 2 9\ndirect\n0.000000 0.000000 0.000000 Ca\n0.857054 0.857057 0.857055 Mg\n0.142945 0.142945 0.142945 Mg\n0.586576 0.081699 0.586576 Ni\n0.586576 0.586578 0.081698 Ni\n0.081697 0.586578 0.586577 Ni\n0.918301 0.413425 0.413423 Ni\n0.413423 0.918304 0.413424 Ni\n0.413423 0.413425 0.918302 Ni\n0.499999 0.500001 0.500000 Ni\n0.666524 0.666527 0.666525 Ni\n0.333474 0.333476 0.333475 Ni\n",
"nsites": 12,
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"elements": [
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"density": 6.404036241504347,
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"volume": 159.96693381644556,
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"formula_full": "Ca1 Mg2 Ni9",
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"formula_anonymous": "AB2C9",
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"spacegroup": 166
},
{
"id": "jvasp-2466",
"created_at": "2022-09-04T14:36:49.166095Z",
"updated_at": "2022-09-04T14:36:49.166107Z",
"structure_string": "Ca1 Mg2 N2\n1.0\n1.771303 -3.067986 0.000000\n1.771303 3.067986 0.000000\n0.000000 0.000000 6.079305\nCa Mg N\n1 2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.333332 0.666666 0.858950 Mg\n0.666666 0.333332 0.141049 Mg\n0.333332 0.666666 0.233668 N\n0.666666 0.333332 0.766331 N\n",
"nsites": 5,
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"elements": [
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],
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"density": 2.9328847921581547,
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"formula_full": "Ca1 Mg2 N2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-4050",
"created_at": "2022-09-04T14:37:04.185098Z",
"updated_at": "2022-09-04T14:37:04.185125Z",
"structure_string": "Ca1 Mg2 Bi2\n1.0\n2.384272 -4.129680 0.000000\n2.384272 4.129680 0.000000\n0.000000 0.000000 7.698576\nCa Mg Bi\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.628554 Mg\n0.333333 0.666667 0.371447 Mg\n0.333333 0.666667 0.761603 Bi\n0.666667 0.333333 0.238397 Bi\n",
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"spacegroup": 164
},
{
"id": "jvasp-2991",
"created_at": "2022-09-04T14:36:57.709489Z",
"updated_at": "2022-09-04T14:36:57.709515Z",
"structure_string": "Ca1 Mg2 As2\n1.0\n2.177059 -3.770776 0.000000\n2.177059 3.770776 0.000000\n0.000000 0.000000 7.103615\nCa Mg As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666668 0.333333 0.634407 Mg\n0.333333 0.666668 0.365592 Mg\n0.333333 0.666668 0.751550 As\n0.666668 0.333333 0.248449 As\n",
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},
{
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"updated_at": "2022-09-04T14:37:50.932289Z",
"structure_string": "Ca1 Mg1 Tl2\n1.0\n0.000000 3.739681 3.739681\n3.739681 0.000000 3.739681\n3.739681 3.739681 0.000000\nCa Mg Tl\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750001 0.750001 0.750001 Mg\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n",
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"formula_full": "Ca1 Mg1 Tl2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
}
]
}