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{
"id": "jvasp-30494",
"created_at": "2022-09-04T14:38:03.850258Z",
"updated_at": "2022-09-04T14:38:03.850286Z",
"structure_string": "Sn2 Br2 Cl2\n1.0\n6.003549 -0.000000 -0.000000\n-0.000000 6.003549 0.000000\n-0.000000 -0.000000 5.635866\nSn Br Cl\n2 2 2\ndirect\n0.750000 0.750000 0.881619 Sn\n0.250000 0.250000 0.118382 Sn\n0.250000 0.750000 -0.000000 Br\n0.750000 0.250000 0.000000 Br\n0.250000 0.250000 0.561788 Cl\n0.750000 0.750000 0.438213 Cl\n",
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{
"id": "jvasp-35869",
"created_at": "2022-09-04T14:37:41.114391Z",
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"structure_string": "Er2 Zn2 Ga2\n1.0\n2.188795 -3.791105 -0.000000\n2.188795 3.791105 0.000000\n-0.000000 0.000000 7.058320\nEr Zn Ga\n2 2 2\ndirect\n0.000000 0.000000 0.499145 Er\n0.000000 0.000000 0.999145 Er\n0.333332 0.666666 0.210268 Zn\n0.666666 0.333332 0.710268 Zn\n0.333332 0.666666 0.784387 Ga\n0.666666 0.333332 0.284387 Ga\n",
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{
"id": "jvasp-23767",
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"updated_at": "2022-09-04T14:37:41.113115Z",
"structure_string": "Pr4 Zn4 Sn4\n1.0\n2.292926 -3.971465 -0.000000\n2.292926 3.971465 0.000000\n-0.000000 0.000000 16.732462\nPr Zn Sn\n4 4 4\ndirect\n0.000000 0.000000 0.750000 Pr\n0.000000 0.000000 0.250000 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.666668 0.333334 0.842798 Zn\n0.666668 0.333334 0.657201 Zn\n0.333334 0.666668 0.157201 Zn\n0.333334 0.666668 0.342799 Zn\n0.666668 0.333334 0.115260 Sn\n0.666668 0.333334 0.384740 Sn\n0.333334 0.666668 0.884740 Sn\n0.333334 0.666668 0.615260 Sn\n",
"nsites": 12,
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"elements": [
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"density": 7.084308073784809,
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"volume": 304.74081273135727,
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"formula_full": "Pr4 Zn4 Sn4",
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"spacegroup": 194
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{
"id": "jvasp-38001",
"created_at": "2022-09-04T14:38:02.649292Z",
"updated_at": "2022-09-04T14:38:02.649308Z",
"structure_string": "Na3 Br1 O1\n1.0\n4.558999 -0.000000 0.000000\n0.000000 4.558999 0.000000\n-0.000000 0.000000 4.558999\nNa Br O\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"density": 2.8892783106557918,
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"volume": 94.75638652557068,
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"formula_full": "Na3 Br1 O1",
"formula_reduced": "Na3BrO",
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"spacegroup": 221
},
{
"id": "jvasp-29728",
"created_at": "2022-09-04T14:38:01.575532Z",
"updated_at": "2022-09-04T14:38:01.575559Z",
"structure_string": "Yb2 Br2 O2\n1.0\n3.704728 0.000542 -0.000001\n0.000542 3.704733 0.000002\n-0.000004 0.000006 8.294558\nYb Br O\n2 2 2\ndirect\n0.500001 0.000001 0.842252 Yb\n0.000001 0.500000 0.157749 Yb\n0.500001 0.000000 0.345045 Br\n0.000000 0.500000 0.654952 Br\n0.999999 -0.000001 0.000002 O\n0.500000 0.499999 0.000001 O\n",
"nsites": 6,
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"density_atomic": 0.05270414469301131,
"volume": 113.84303900477894,
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"formula_full": "Yb2 Br2 O2",
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"spacegroup": 129
},
{
"id": "jvasp-38552",
"created_at": "2022-09-04T14:38:02.459311Z",
"updated_at": "2022-09-04T14:38:02.459339Z",
"structure_string": "Na1 In1 Ag2\n1.0\n0.000000 3.435367 3.435367\n3.435367 0.000000 3.435367\n3.435367 3.435367 0.000000\nNa In Ag\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Na\n0.250000 0.250000 0.250000 In\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n",
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},
{
"id": "jvasp-41320",
"created_at": "2022-09-04T14:37:41.062874Z",
"updated_at": "2022-09-04T14:37:41.062892Z",
"structure_string": "Na1 Sr1 Au2\n1.0\n0.000582 3.689724 3.689724\n3.689724 0.000582 3.689724\n3.689724 3.689724 0.000582\nNa Sr Au\n1 1 2\ndirect\n0.249996 0.249996 0.249996 Na\n0.750002 0.750002 0.750002 Sr\n0.500056 0.500056 0.500056 Au\n-0.000056 -0.000056 -0.000056 Au\n",
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"formula_full": "Na1 Sr1 Au2",
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{
"id": "jvasp-41306",
"created_at": "2022-09-04T14:37:41.010720Z",
"updated_at": "2022-09-04T14:37:41.010742Z",
"structure_string": "Na1 Mg1 Pb2\n1.0\n0.000000 3.762868 3.762868\n3.762868 0.000000 3.762868\n3.762868 3.762868 0.000000\nNa Mg Pb\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
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},
{
"id": "jvasp-38102",
"created_at": "2022-09-04T14:38:02.450234Z",
"updated_at": "2022-09-04T14:38:02.450261Z",
"structure_string": "Rb2 Tl1 Ga1 F6\n1.0\n0.000000 4.530323 4.530323\n4.530323 -0.000000 4.530323\n4.530323 4.530323 -0.000000\nRb Tl Ga F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.749999 0.749999 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ga\n0.287823 0.712176 0.712176 F\n0.287823 0.712176 0.287823 F\n0.712176 0.287823 0.712176 F\n0.712176 0.712176 0.287823 F\n0.287823 0.287823 0.712176 F\n0.712176 0.287823 0.287823 F\n",
"nsites": 10,
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"density_atomic": 0.05377525801944346,
"volume": 185.9591263399296,
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"formula_full": "Rb2 Tl1 Ga1 F6",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-32273",
"created_at": "2022-09-04T14:38:01.641195Z",
"updated_at": "2022-09-04T14:38:01.641210Z",
"structure_string": "Bi2 Cl2 F16\n1.0\n5.085801 -0.084131 -0.421873\n-0.316959 5.709180 -0.104930\n-0.123874 0.034153 10.508914\nBi Cl F\n2 2 16\ndirect\n0.000000 0.000000 0.000000 Bi\n0.000000 -0.000000 0.500000 Bi\n0.570834 0.603236 0.248426 Cl\n0.429166 0.396764 0.751574 Cl\n0.188225 0.325905 0.570256 F\n0.811775 0.674095 0.429743 F\n0.118130 0.218813 0.851085 F\n0.881870 0.781187 0.148915 F\n0.642191 0.951568 0.894986 F\n0.357809 0.048432 0.105014 F\n0.818687 0.170812 0.351535 F\n0.644648 0.531961 0.669013 F\n0.355353 0.468039 0.330987 F\n0.601019 0.448166 0.888579 F\n0.398981 0.551834 0.111420 F\n0.300563 0.947727 0.390457 F\n0.699437 0.052273 0.609542 F\n0.181313 0.829187 0.648464 F\n0.888281 0.288174 0.090872 F\n0.111719 0.711826 0.909128 F\n",
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{
"id": "jvasp-36956",
"created_at": "2022-09-04T14:38:01.656536Z",
"updated_at": "2022-09-04T14:38:01.656557Z",
"structure_string": "In2 Sn2 Cl6\n1.0\n-7.024037 -0.000039 3.949242\n-4.622267 6.600626 0.000024\n-6.440260 0.408792 -3.233481\nIn Sn Cl\n2 2 6\ndirect\n0.892817 0.892816 0.321552 In\n0.107184 0.107185 0.678449 In\n0.649961 0.649960 0.050120 Sn\n0.350039 0.350040 0.949881 Sn\n0.503587 0.734354 0.744184 Cl\n0.017874 0.503588 0.744184 Cl\n0.734354 0.017875 0.744183 Cl\n0.496413 0.265646 0.255818 Cl\n0.265645 0.982125 0.255817 Cl\n0.982124 0.496413 0.255819 Cl\n",
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},
{
"id": "jvasp-41232",
"created_at": "2022-09-04T14:37:40.850761Z",
"updated_at": "2022-09-04T14:37:40.850788Z",
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