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{
"id": "jvasp-10354",
"created_at": "2022-09-04T14:37:06.909394Z",
"updated_at": "2022-09-04T14:37:06.909417Z",
"structure_string": "Cr4 O10\n1.0\n11.094020 0.000000 0.000000\n0.000000 5.007670 -1.775476\n0.000000 -0.000000 3.550952\nCr O\n4 10\ndirect\n0.148085 0.902233 0.951115 Cr\n0.351915 0.097767 0.548883 Cr\n0.648085 0.097767 0.548883 Cr\n0.851915 0.902233 0.951115 Cr\n0.000000 0.023488 0.011745 O\n0.133799 0.590078 0.795038 O\n0.182620 0.001961 0.500980 O\n0.317380 0.998037 0.999016 O\n0.366201 0.409922 0.704960 O\n0.500000 0.976512 0.488254 O\n0.633799 0.409922 0.704960 O\n0.866201 0.590078 0.795038 O\n0.682620 0.998037 0.999016 O\n0.817380 0.001961 0.500980 O\n",
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{
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{
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"updated_at": "2022-09-04T14:37:14.558703Z",
"structure_string": "P4 Br12\n1.0\n6.470598 0.000000 0.000000\n0.000000 7.815455 0.000000\n0.000000 0.000000 10.070020\nP Br\n4 12\ndirect\n0.528710 0.030612 0.250000 P\n0.028710 0.469388 0.750000 P\n0.971290 0.530612 0.250000 P\n0.471290 0.969387 0.750000 P\n0.644266 0.192476 0.078836 Br\n0.144266 0.307524 0.921164 Br\n0.855734 0.692476 0.421164 Br\n0.355734 0.807523 0.578836 Br\n0.355734 0.807523 0.921164 Br\n0.855734 0.692476 0.078836 Br\n0.144266 0.307524 0.578836 Br\n0.644266 0.192476 0.421164 Br\n0.185426 0.091400 0.250000 Br\n0.685426 0.408599 0.750000 Br\n0.314574 0.591400 0.250000 Br\n0.814574 0.908599 0.750000 Br\n",
"nsites": 16,
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"elements": [
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"density": 3.5305753303056155,
"density_atomic": 0.031418899100029464,
"volume": 509.24763305869607,
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"formula_full": "P4 Br12",
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{
"id": "jvasp-79047",
"created_at": "2022-09-04T14:37:12.384090Z",
"updated_at": "2022-09-04T14:37:12.384115Z",
"structure_string": "Na1 Mg3\n1.0\n-2.555702 2.555702 3.796075\n2.555702 -2.555702 3.796075\n2.555702 2.555702 -3.796075\nNa Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.500001 0.500001 0.000000 Mg\n0.749999 0.250000 0.499999 Mg\n0.250000 0.749999 0.499999 Mg\n",
"nsites": 4,
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{
"id": "jvasp-78411",
"created_at": "2022-09-04T14:37:14.597342Z",
"updated_at": "2022-09-04T14:37:14.597375Z",
"structure_string": "K1 N1\n1.0\n-2.855310 -2.855310 0.000000\n-2.855310 0.000000 -2.855310\n-0.000000 -2.855310 -2.855310\nK N\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 N\n",
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{
"id": "jvasp-22286",
"created_at": "2022-09-04T14:37:30.645061Z",
"updated_at": "2022-09-04T14:37:30.645085Z",
"structure_string": "Ho8 Al4\n1.0\n5.049937 -0.000000 0.000000\n-0.000000 6.481394 0.000000\n0.000000 0.000000 9.383907\nHo Al\n8 4\ndirect\n0.750000 0.188190 0.072914 Ho\n0.250000 0.811810 0.927086 Ho\n0.750000 0.688190 0.427086 Ho\n0.250000 0.311810 0.572914 Ho\n0.750000 0.027454 0.710712 Ho\n0.250000 0.972545 0.289289 Ho\n0.750000 0.527454 0.789289 Ho\n0.250000 0.472546 0.210712 Ho\n0.750000 0.708419 0.102587 Al\n0.250000 0.291580 0.897414 Al\n0.750000 0.208419 0.397413 Al\n0.250000 0.791580 0.602587 Al\n",
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"formula_full": "Ho8 Al4",
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{
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"created_at": "2022-09-04T14:37:07.101593Z",
"updated_at": "2022-09-04T14:37:07.101612Z",
"structure_string": "Mg2 P8\n1.0\n0.000000 5.177277 0.016382\n5.123506 0.000000 0.000000\n0.000000 -1.152457 -7.514633\nMg P\n2 8\ndirect\n0.000000 0.000000 0.000000 Mg\n-0.000000 0.500000 0.500000 Mg\n0.249894 0.294698 0.253453 P\n0.750107 0.794698 0.246547 P\n0.750106 0.705303 0.746547 P\n0.249893 0.205303 0.753453 P\n0.395410 0.888365 0.598242 P\n0.604589 0.388365 0.901757 P\n0.604590 0.111636 0.401758 P\n0.395411 0.611636 0.098242 P\n",
"nsites": 10,
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"elements": [
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"formula_full": "Mg2 P8",
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"formula_anonymous": "AB4",
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"spacegroup": 14
},
{
"id": "jvasp-78265",
"created_at": "2022-09-04T14:37:14.624446Z",
"updated_at": "2022-09-04T14:37:14.624469Z",
"structure_string": "Pu1 As1\n1.0\n-2.923799 -2.923799 0.000000\n-2.923798 -0.000000 -2.923799\n-0.000000 -2.923799 -2.923799\nPu As\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 As\n",
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"elements": [
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{
"id": "jvasp-30644",
"created_at": "2022-09-04T14:37:31.370582Z",
"updated_at": "2022-09-04T14:37:31.370612Z",
"structure_string": "Mo3 O8\n1.0\n4.459067 -0.424794 -2.181276\n-0.889866 5.288795 -2.849075\n-0.791787 -0.061977 6.604609\nMo O\n3 8\ndirect\n0.499999 0.999998 -0.000000 Mo\n0.999999 0.708949 -0.000000 Mo\n0.999999 0.291052 -0.000000 Mo\n-0.027497 0.370867 0.741736 O\n0.027495 0.629131 0.258264 O\n0.020789 0.890897 0.781797 O\n0.979209 0.109101 0.218201 O\n0.465288 0.334127 0.211462 O\n0.465287 0.877334 0.211462 O\n0.534712 0.122664 0.788538 O\n0.534712 0.665872 0.788538 O\n",
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"spacegroup": 12
},
{
"id": "jvasp-11076",
"created_at": "2022-09-04T14:37:14.644486Z",
"updated_at": "2022-09-04T14:37:14.644516Z",
"structure_string": "Sn4 O8\n1.0\n4.775972 -0.000000 0.000000\n0.000000 5.302355 0.000000\n0.000000 0.000000 5.811817\nSn O\n4 8\ndirect\n0.500000 0.750001 0.666243 Sn\n0.000000 0.250000 0.833758 Sn\n0.500000 0.250000 0.333758 Sn\n0.000000 0.750001 0.166243 Sn\n0.730774 0.078053 0.606124 O\n0.230774 0.921948 0.893877 O\n0.769226 0.578054 0.893877 O\n0.269226 0.421947 0.606124 O\n0.730774 0.578054 0.393876 O\n0.230774 0.421947 0.106124 O\n0.769226 0.078053 0.106124 O\n0.269226 0.921948 0.393876 O\n",
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{
"id": "jvasp-79612",
"created_at": "2022-09-04T14:37:12.306293Z",
"updated_at": "2022-09-04T14:37:12.306315Z",
"structure_string": "Rb3 Os1\n1.0\n5.448677 0.000000 -0.000000\n-0.000000 5.448677 -0.000000\n0.000000 0.000000 5.448677\nRb Os\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Os\n",
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{
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"structure_string": "P4 Cl12\n1.0\n6.076355 0.000000 0.000000\n0.000000 7.786267 0.000000\n0.000000 0.000000 9.379632\nP Cl\n4 12\ndirect\n0.924045 0.988268 0.750000 P\n0.424046 0.511733 0.250000 P\n0.575953 0.488268 0.750000 P\n0.075954 0.011733 0.250000 P\n0.732334 0.904396 0.919886 Cl\n0.232334 0.595605 0.080114 Cl\n0.767665 0.404396 0.580113 Cl\n0.267666 0.095605 0.419886 Cl\n0.833826 0.200532 0.250000 Cl\n0.333826 0.299468 0.750000 Cl\n0.666173 0.700533 0.250000 Cl\n0.166174 0.799468 0.750000 Cl\n0.732334 0.904396 0.580113 Cl\n0.232334 0.595605 0.419886 Cl\n0.767665 0.404396 0.919886 Cl\n0.267666 0.095605 0.080114 Cl\n",
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