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{
"id": "jvasp-9089",
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"structure_string": "Ca6 P6\n1.0\n3.813874 -6.605824 0.000000\n3.813874 6.605824 -0.000000\n-0.000000 0.000000 5.723078\nCa P\n6 6\ndirect\n0.356561 0.356561 0.500000 Ca\n0.643438 -0.000000 0.500000 Ca\n-0.000000 0.643438 0.500000 Ca\n0.690892 0.690892 0.000000 Ca\n0.309107 -0.000000 0.000000 Ca\n-0.000000 0.309107 0.000000 Ca\n0.666666 0.333333 0.203752 P\n0.666666 0.333333 0.796249 P\n0.333333 0.666666 0.796249 P\n0.333333 0.666666 0.203752 P\n0.000000 0.000000 0.698165 P\n0.000000 0.000000 0.301836 P\n",
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{
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"structure_string": "Ba1 Cl2\n1.0\n7.376410 0.000000 0.000000\n0.000000 4.608153 0.000000\n0.000000 0.000000 4.781280\nBa Cl\n1 2\ndirect\n0.000000 0.450651 0.000000 Ba\n0.253370 0.950674 0.000000 Cl\n0.746630 0.950674 0.000000 Cl\n",
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{
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"structure_string": "Lu2 S2 Br2\n1.0\n3.940186 0.000000 0.000000\n0.000000 5.265975 0.000000\n0.000000 0.000000 7.997159\nLu S Br\n2 2 2\ndirect\n0.000000 0.000000 0.136399 Lu\n0.500000 0.500000 0.863601 Lu\n0.500000 0.000000 0.908493 S\n0.000000 0.500000 0.091507 S\n0.000000 0.500000 0.624019 Br\n0.500000 0.000000 0.375981 Br\n",
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{
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"structure_string": "V2 F8\n1.0\n3.047899 0.000000 0.000000\n-0.000000 4.143390 2.146532\n0.000000 0.420364 10.146106\nV F\n2 8\ndirect\n0.750696 0.982286 0.255295 V\n0.249304 0.982285 0.755295 V\n0.249614 0.157288 0.873220 F\n0.250534 0.704142 0.367854 F\n0.249620 0.807286 0.637368 F\n0.250532 0.260423 0.142735 F\n0.750386 0.157288 0.373220 F\n0.749466 0.704142 0.867854 F\n0.750380 0.807287 0.137368 F\n0.749468 0.260422 0.642735 F\n",
"nsites": 10,
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{
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"updated_at": "2022-09-04T14:37:53.730944Z",
"structure_string": "Ni1 Rh1 F6\n1.0\n4.386518 0.053758 3.025614\n1.617015 4.077952 3.025614\n0.078113 0.053758 5.328206\nNi Rh F\n1 1 6\ndirect\n0.499999 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Rh\n0.404042 0.094093 0.752640 F\n0.094091 0.752639 0.404043 F\n0.247359 0.595958 0.905908 F\n0.905907 0.247361 0.595957 F\n0.595956 0.905908 0.247360 F\n0.752639 0.404043 0.094092 F\n",
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{
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"created_at": "2022-09-04T14:36:01.179628Z",
"updated_at": "2022-09-04T14:36:01.179652Z",
"structure_string": "Mg6 Fe1 Si1\n1.0\n6.076507 0.016898 0.000000\n-3.023619 5.270859 0.000000\n0.000000 0.000000 4.719822\nMg Fe Si\n6 1 1\ndirect\n0.168633 0.843501 0.250000 Mg\n0.656500 0.331367 0.250000 Mg\n0.665515 0.834485 0.250000 Mg\n0.326690 0.648005 0.750000 Mg\n0.851996 0.173311 0.750000 Mg\n0.832320 0.667681 0.750000 Mg\n0.182882 0.317119 0.250000 Fe\n0.315468 0.184532 0.750000 Si\n",
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{
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"created_at": "2022-09-04T14:36:02.075689Z",
"updated_at": "2022-09-04T14:36:02.075712Z",
"structure_string": "Sm3 Hg3 Pd3\n1.0\n7.787745 0.000000 0.000000\n-3.893873 6.744385 -0.000000\n-0.000000 0.000000 3.842413\nSm Hg Pd\n3 3 3\ndirect\n0.603461 -0.000000 0.500000 Sm\n0.000000 0.603462 0.500000 Sm\n0.396538 0.396539 0.500000 Sm\n0.268759 -0.000000 0.000000 Hg\n0.731241 0.731242 0.000000 Hg\n0.000000 0.268759 0.000000 Hg\n0.000000 0.000000 0.500000 Pd\n0.666667 0.333333 0.000000 Pd\n0.333333 0.666667 0.000000 Pd\n",
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"formula_full": "Sm3 Hg3 Pd3",
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{
"id": "jvasp-39183",
"created_at": "2022-09-04T14:37:53.757720Z",
"updated_at": "2022-09-04T14:37:53.757747Z",
"structure_string": "Sc1 Cd1 Au2\n1.0\n0.000000 3.370697 3.370697\n3.370697 0.000000 3.370697\n3.370697 3.370697 0.000000\nSc Cd Au\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sc\n0.249999 0.249999 0.249999 Cd\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
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"formula_full": "Sc1 Cd1 Au2",
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},
{
"id": "jvasp-112924",
"created_at": "2022-09-04T14:38:44.807217Z",
"updated_at": "2022-09-04T14:38:44.807245Z",
"structure_string": "Li2 Fe2 F8\n1.0\n6.217067 -0.051073 1.982901\n5.018852 3.669558 1.982901\n-0.027257 -0.008778 6.548883\nLi Fe F\n2 2 8\ndirect\n0.804597 0.804599 0.807480 Li\n0.195402 0.195402 0.192519 Li\n0.889311 0.889313 0.212257 Fe\n0.110688 0.110688 0.787742 Fe\n0.946241 0.946243 0.867061 F\n0.854239 0.854241 0.505222 F\n0.254894 0.254894 0.843896 F\n0.380755 0.380755 0.187606 F\n0.619244 0.619245 0.812393 F\n0.745105 0.745107 0.156103 F\n0.145760 0.145760 0.494777 F\n0.053758 0.053758 0.132938 F\n",
"nsites": 12,
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{
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"created_at": "2022-09-04T14:37:35.361625Z",
"updated_at": "2022-09-04T14:37:35.361652Z",
"structure_string": "Li2 Fe2 F8\n1.0\n3.340966 3.213679 -0.000000\n-3.340966 3.213679 -0.000000\n0.000000 0.000000 6.140265\nLi Fe F\n2 2 8\ndirect\n0.500070 0.500070 0.250000 Li\n0.499931 0.499931 0.750001 Li\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.194038 0.805930 0.250000 F\n0.194071 0.805962 0.750001 F\n0.293918 0.293918 0.000015 F\n0.293918 0.293918 0.499985 F\n0.706082 0.706082 0.500016 F\n0.706082 0.706082 0.999986 F\n0.805930 0.194038 0.250000 F\n0.805962 0.194071 0.750001 F\n",
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{
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"created_at": "2022-09-04T14:38:19.865101Z",
"updated_at": "2022-09-04T14:38:19.865125Z",
"structure_string": "Na6 Cr2 Cl12\n1.0\n3.390879 -5.873176 -0.000000\n3.390879 5.873176 0.000000\n0.000000 -0.000000 11.969689\nNa Cr Cl\n6 2 12\ndirect\n0.000000 0.000000 0.250000 Na\n0.000000 0.000000 0.750000 Na\n0.333333 0.666667 0.542792 Na\n0.333333 0.666667 0.957208 Na\n0.666667 0.333333 0.457208 Na\n0.666667 0.333333 0.042792 Na\n0.666667 0.333333 0.750000 Cr\n0.333333 0.666667 0.250000 Cr\n0.678433 0.056076 0.633816 Cl\n0.943924 0.622355 0.633816 Cl\n0.943924 0.321567 0.866184 Cl\n0.678433 0.622355 0.866184 Cl\n0.056076 0.377645 0.366184 Cl\n0.321568 0.377645 0.133816 Cl\n0.622355 0.678433 0.366184 Cl\n0.321567 0.943924 0.366184 Cl\n0.377645 0.321568 0.633816 Cl\n0.056076 0.678433 0.133816 Cl\n0.377645 0.056076 0.866184 Cl\n0.622355 0.943924 0.133816 Cl\n",
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{
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"structure_string": "Na6 Cr2 Cl12\n1.0\n3.390842 -5.873112 -0.000000\n3.390842 5.873112 0.000000\n-0.000000 -0.000000 11.969998\nNa Cr Cl\n6 2 12\ndirect\n0.000000 0.000000 0.250000 Na\n0.000000 0.000000 0.750000 Na\n0.333333 0.666667 0.542775 Na\n0.333333 0.666667 0.957225 Na\n0.666667 0.333333 0.457225 Na\n0.666667 0.333333 0.042775 Na\n0.666667 0.333333 0.750000 Cr\n0.333333 0.666667 0.250000 Cr\n0.678425 0.056065 0.633820 Cl\n0.943934 0.622359 0.633820 Cl\n0.943935 0.321574 0.866180 Cl\n0.678425 0.622359 0.866180 Cl\n0.056065 0.377640 0.366180 Cl\n0.321574 0.377640 0.133820 Cl\n0.622359 0.678425 0.366180 Cl\n0.321574 0.943935 0.366180 Cl\n0.377640 0.321574 0.633820 Cl\n0.056065 0.678425 0.133820 Cl\n0.377640 0.056065 0.866180 Cl\n0.622359 0.943934 0.133820 Cl\n",
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