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{
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{
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"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",
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{
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"structure_string": "Ca2 Mg6\n1.0\n5.266375 0.000000 0.000000\n-0.000000 5.266375 0.000000\n-0.000000 0.000000 7.441391\nCa Mg\n2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.250000 Mg\n0.000000 0.500000 0.250000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.750000 Mg\n0.500000 0.000000 0.750000 Mg\n",
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"elements": [
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"spacegroup": 225
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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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"density": 1.8412820659282259,
"density_atomic": 0.039253616715071944,
"volume": 101.90143825560276,
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"formula_full": "Ca1 Mg3",
"formula_reduced": "CaMg3",
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{
"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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"volume": 110.46965384602379,
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{
"id": "jvasp-93315",
"created_at": "2022-09-04T14:36:33.109822Z",
"updated_at": "2022-09-04T14:36:33.109851Z",
"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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"density": 1.7345193690250487,
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"volume": 154.71034776082948,
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{
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"created_at": "2022-09-04T14:36:05.816320Z",
"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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"elements": [
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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",
"nsites": 8,
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"elements": [
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"density": 1.679404472200331,
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"volume": 195.6954020314658,
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"formula_full": "Ca1 Mg6 C1",
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"spacegroup": 38
},
{
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"created_at": "2022-09-04T14:36:06.342049Z",
"updated_at": "2022-09-04T14:36:06.342070Z",
"structure_string": "Ca1 Mg6 Mn1\n1.0\n6.567028 -0.065638 0.000000\n-3.340357 5.654393 0.000000\n0.000000 0.000000 5.060394\nCa Mg Mn\n1 6 1\ndirect\n0.176786 0.323214 0.250000 Ca\n0.177903 0.840501 0.250000 Mg\n0.659498 0.322096 0.250000 Mg\n0.662868 0.837130 0.250000 Mg\n0.330612 0.682386 0.749999 Mg\n0.817613 0.169388 0.749999 Mg\n0.828384 0.671615 0.749999 Mg\n0.346333 0.153667 0.749999 Mn\n",
"nsites": 8,
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"formula_full": "Ca1 Mg6 Mn1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-94788",
"created_at": "2022-09-04T14:36:09.104885Z",
"updated_at": "2022-09-04T14:36:09.104908Z",
"structure_string": "Ca1 Mg6 Ni1\n1.0\n6.903723 -0.425175 0.000000\n-3.820073 5.766211 0.000000\n0.000000 0.000000 4.762562\nCa Mg Ni\n1 6 1\ndirect\n0.203217 0.296784 0.250000 Ca\n0.177842 0.833782 0.250000 Mg\n0.666218 0.322158 0.250000 Mg\n0.650067 0.849934 0.250000 Mg\n0.309117 0.695477 0.750000 Mg\n0.804523 0.190884 0.750000 Mg\n0.810812 0.689189 0.750000 Mg\n0.378205 0.121795 0.750000 Ni\n",
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{
"id": "jvasp-94733",
"created_at": "2022-09-04T14:35:46.498717Z",
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"structure_string": "Ca1 Mg6 Sn1\n1.0\n6.725296 -0.070992 0.000000\n-3.424129 5.788782 0.000000\n0.000000 0.000000 5.102224\nCa Mg Sn\n1 6 1\ndirect\n0.180054 0.319946 0.250000 Ca\n0.164607 0.815259 0.250000 Mg\n0.684741 0.335394 0.250000 Mg\n0.659833 0.840167 0.250000 Mg\n0.332338 0.681999 0.749999 Mg\n0.818001 0.167662 0.749999 Mg\n0.820587 0.679413 0.749999 Mg\n0.339843 0.160157 0.749999 Sn\n",
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{
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"created_at": "2022-09-04T14:35:48.029015Z",
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"structure_string": "Ca1 Mg6 Ti1\n1.0\n6.240971 -1.670677 0.000000\n-4.567333 7.910852 0.000000\n0.000000 0.000000 4.484952\nCa Mg Ti\n1 6 1\ndirect\n0.250044 0.375021 0.250000 Ca\n0.749969 0.374961 0.250000 Mg\n0.749969 0.875008 0.250000 Mg\n0.249968 0.107013 0.750000 Mg\n0.249968 0.642955 0.750000 Mg\n0.714084 0.107042 0.750000 Mg\n0.785994 0.642996 0.750000 Mg\n0.250004 0.875001 0.250000 Ti\n",
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"formula_full": "Ca1 Mg6 Ti1",
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