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{
"id": "jvasp-105618",
"created_at": "2022-09-04T14:35:55.945358Z",
"updated_at": "2022-09-04T14:35:55.945368Z",
"structure_string": "K2 Rb1 Ga1 Br6\n1.0\n6.948354 -0.000000 4.011634\n2.316118 6.550971 4.011634\n-0.000000 -0.000000 8.023268\nK Rb Ga Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ga\n0.775992 0.224008 0.224008 Br\n0.224008 0.224008 0.775992 Br\n0.224008 0.775992 0.775992 Br\n0.224008 0.775992 0.224007 Br\n0.775992 0.224008 0.775992 Br\n0.775992 0.775992 0.224007 Br\n",
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{
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{
"id": "jvasp-68962",
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"updated_at": "2022-09-04T14:35:41.612887Z",
"structure_string": "Ba1 Sr1 Mg2\n1.0\n4.246360 -0.000000 0.000000\n-0.000000 4.246360 -0.000000\n0.000000 -0.000000 8.475200\nBa Sr Mg\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Sr\n-0.000000 0.000000 0.265445 Mg\n-0.000000 0.000000 0.734555 Mg\n",
"nsites": 4,
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"elements": [
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],
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"volume": 152.82118960500992,
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"formula_full": "Ba1 Sr1 Mg2",
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},
{
"id": "jvasp-105679",
"created_at": "2022-09-04T14:36:03.103722Z",
"updated_at": "2022-09-04T14:36:03.103746Z",
"structure_string": "Rb2 In1 Sb1 Br6\n1.0\n7.093599 0.000000 4.095491\n2.364533 6.687910 4.095491\n0.000000 0.000000 8.190984\nRb In Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Sb\n0.757258 0.242742 0.242742 Br\n0.242742 0.242742 0.757257 Br\n0.242742 0.757258 0.757257 Br\n0.242742 0.757258 0.242742 Br\n0.757258 0.242742 0.757257 Br\n0.757258 0.757258 0.242742 Br\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Br-In-Rb-Sb",
"density": 3.790085714783425,
"density_atomic": 0.02573397460517925,
"volume": 388.5913526155182,
"volume_molar": 23.40151823569445,
"formula_full": "Rb2 In1 Sb1 Br6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-93170",
"created_at": "2022-09-04T14:36:07.307451Z",
"updated_at": "2022-09-04T14:36:07.307478Z",
"structure_string": "Li1 Mg6 Si1\n1.0\n6.187113 0.027893 0.000000\n-3.069400 5.372144 0.000000\n0.000000 0.000000 4.961162\nLi Mg Si\n1 6 1\ndirect\n0.169226 0.330773 0.250000 Li\n0.169273 0.843336 0.250000 Mg\n0.656663 0.330726 0.250000 Mg\n0.663989 0.836010 0.250000 Mg\n0.333828 0.657444 0.750000 Mg\n0.842555 0.166171 0.750000 Mg\n0.834132 0.665866 0.750000 Mg\n0.330329 0.169670 0.750000 Si\n",
"nsites": 8,
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"elements": [
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],
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"density": 1.816548082578697,
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"formula_full": "Li1 Mg6 Si1",
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},
{
"id": "jvasp-69242",
"created_at": "2022-09-04T14:35:44.235763Z",
"updated_at": "2022-09-04T14:35:44.235780Z",
"structure_string": "Ba2 Pb1 Cl1\n1.0\n-0.000000 4.189987 4.189987\n4.189987 0.000000 4.189987\n4.189987 4.189987 -0.000000\nBa Pb Cl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
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},
{
"id": "jvasp-93800",
"created_at": "2022-09-04T14:36:12.857577Z",
"updated_at": "2022-09-04T14:36:12.857589Z",
"structure_string": "Yb2 Zn2 Pb2\n1.0\n-2.356452 -4.081566 0.000000\n-2.356452 4.081566 0.000000\n0.000000 0.000000 -7.537199\nYb Zn Pb\n2 2 2\ndirect\n0.999988 0.000011 0.258976 Yb\n0.000011 0.999988 0.758976 Yb\n0.333325 0.666674 0.441276 Zn\n0.666674 0.333325 0.941276 Zn\n0.333336 0.666663 0.040748 Pb\n0.666663 0.333336 0.540748 Pb\n",
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"density_atomic": 0.041383369770819224,
"volume": 144.98577649012037,
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"spacegroup": 186
},
{
"id": "jvasp-105726",
"created_at": "2022-09-04T14:36:13.007955Z",
"updated_at": "2022-09-04T14:36:13.007981Z",
"structure_string": "Ca2 Mg1 Cd1\n1.0\n4.724050 -0.000000 2.727432\n1.574684 4.453877 2.727432\n-0.000000 -0.000000 5.454863\nCa Mg Cd\n2 1 1\ndirect\n0.749999 0.750000 0.749999 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Mg\n0.499999 0.500000 0.500000 Cd\n",
"nsites": 4,
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],
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-105677",
"created_at": "2022-09-04T14:36:00.259932Z",
"updated_at": "2022-09-04T14:36:00.259960Z",
"structure_string": "Na2 Li1 Rh1 F6\n1.0\n4.805531 0.000000 2.774474\n1.601843 4.530698 2.774474\n0.000000 0.000000 5.548949\nNa Li Rh F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.749999 0.750000 0.749999 Na\n0.499999 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Rh\n0.252208 0.252209 0.747791 F\n0.252208 0.747792 0.747791 F\n0.747791 0.747792 0.252208 F\n0.252208 0.747792 0.252208 F\n0.747791 0.252209 0.747791 F\n0.747791 0.252209 0.252208 F\n",
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],
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"density": 3.708517244452158,
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"volume": 120.81399098045604,
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"formula_full": "Na2 Li1 Rh1 F6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-108002",
"created_at": "2022-09-04T14:35:46.096797Z",
"updated_at": "2022-09-04T14:35:46.096826Z",
"structure_string": "Yb6 Sn2\n1.0\n6.933880 -0.000000 0.000000\n-3.466940 6.004917 0.000000\n-0.000000 -0.000000 5.496477\nYb Sn\n6 2\ndirect\n0.172867 0.345733 0.250000 Yb\n0.654267 0.827134 0.250000 Yb\n0.172867 0.827134 0.250000 Yb\n0.827134 0.654267 0.750000 Yb\n0.345733 0.172867 0.750000 Yb\n0.827133 0.172867 0.750000 Yb\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333334 0.250000 Sn\n",
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},
{
"id": "jvasp-94794",
"created_at": "2022-09-04T14:35:41.626238Z",
"updated_at": "2022-09-04T14:35:41.626265Z",
"structure_string": "Mg7 V1\n1.0\n-4.358589 -4.358589 0.000000\n-4.358589 0.000000 -4.358589\n0.000000 -4.358589 -4.358589\nMg V\n7 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 V\n",
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},
{
"id": "jvasp-106465",
"created_at": "2022-09-04T14:36:50.185745Z",
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"structure_string": "Rb2 Li1 Ti1 F6\n1.0\n5.059018 -0.000000 2.920825\n1.686339 4.769688 2.920825\n-0.000000 -0.000000 5.841651\nRb Li Ti F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750001 Rb\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Ti\n0.241949 0.241949 0.758052 F\n0.241949 0.758052 0.758052 F\n0.758052 0.758052 0.241949 F\n0.241949 0.758052 0.241949 F\n0.758052 0.241949 0.758052 F\n0.758052 0.241949 0.241949 F\n",
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