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{
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{
"id": "jvasp-20982",
"created_at": "2022-09-04T14:37:52.253577Z",
"updated_at": "2022-09-04T14:37:52.253606Z",
"structure_string": "Tm1 Mn6 Sn6\n1.0\n2.722236 -4.715051 -0.000000\n2.722236 4.715051 -0.000000\n0.000000 -0.000000 8.946723\nTm Mn Sn\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.500000 0.248038 Mn\n0.500001 0.500001 0.751961 Mn\n0.500000 0.000000 0.751961 Mn\n0.000000 0.500000 0.751961 Mn\n0.500001 0.500001 0.248038 Mn\n0.500000 0.000000 0.248038 Mn\n0.666668 0.333334 0.500000 Sn\n0.000000 0.000000 0.668561 Sn\n0.000000 0.000000 0.331438 Sn\n0.333334 0.666668 0.000000 Sn\n0.666668 0.333334 0.000000 Sn\n0.333334 0.666668 0.500000 Sn\n",
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{
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"structure_string": "Be2 Si1 Ru1\n1.0\n3.004237 0.000000 0.000000\n0.000000 3.004237 0.000000\n0.000000 0.000000 4.864089\nBe Si Ru\n2 1 1\ndirect\n0.000000 0.000000 0.015599 Be\n0.500000 0.500000 0.230800 Be\n0.500000 0.500000 0.754746 Si\n0.000000 0.000000 0.498855 Ru\n",
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{
"id": "jvasp-79750",
"created_at": "2022-09-04T14:37:11.089226Z",
"updated_at": "2022-09-04T14:37:11.089248Z",
"structure_string": "Mg1 Ti3\n1.0\n2.940678 0.000000 -0.000000\n-1.470339 2.546702 0.000000\n0.000000 -0.000000 9.681458\nMg Ti\n1 3\ndirect\n0.666667 0.333333 0.500000 Mg\n0.666667 0.333333 0.000000 Ti\n0.000000 0.000000 0.767352 Ti\n0.000000 0.000000 0.232648 Ti\n",
"nsites": 4,
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"elements": [
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},
{
"id": "jvasp-47982",
"created_at": "2022-09-04T14:35:43.069833Z",
"updated_at": "2022-09-04T14:35:43.069849Z",
"structure_string": "Li3 Fe1 Co3 O8\n1.0\n5.661885 0.008493 -0.022349\n2.838298 4.899090 -0.022349\n-0.025133 -3.274908 4.697783\nLi Fe Co O\n3 1 3 8\ndirect\n0.000000 -0.000000 0.500000 Li\n0.500001 -0.000001 0.500000 Li\n0.500001 0.499999 0.500000 Li\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 -0.000000 Co\n0.500001 -0.000000 -0.000000 Co\n0.500001 0.500000 -0.000000 Co\n0.238680 0.018958 0.780280 O\n0.265928 0.477433 0.211508 O\n0.238680 0.524543 0.787178 O\n0.737367 0.025856 0.787178 O\n0.262635 0.974143 0.212821 O\n0.761323 0.475455 0.212821 O\n0.734074 0.522565 0.788491 O\n0.761323 0.981040 0.219719 O\n",
"nsites": 15,
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"elements": [
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],
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"formula_full": "Li3 Fe1 Co3 O8",
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"spacegroup": 12
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{
"id": "jvasp-110320",
"created_at": "2022-09-04T14:37:54.801932Z",
"updated_at": "2022-09-04T14:37:54.801956Z",
"structure_string": "V2 Cu1 O6\n1.0\n3.567406 -0.028201 0.194451\n-1.495002 4.341403 -1.689319\n0.005431 -0.122542 6.467874\nV Cu O\n2 1 6\ndirect\n0.829270 0.623168 0.350200 V\n0.170731 0.376832 0.649799 V\n0.000000 0.000000 0.000000 Cu\n0.980493 0.950882 0.281621 O\n0.019508 0.049118 0.718378 O\n0.723619 0.315615 0.107941 O\n0.276382 0.684385 0.892058 O\n0.685757 0.384931 0.567926 O\n0.314244 0.615069 0.432073 O\n",
"nsites": 9,
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"elements": [
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"density": 4.376449507618792,
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"volume": 99.19161387462856,
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"formula_full": "V2 Cu1 O6",
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"spacegroup": 2
},
{
"id": "jvasp-39971",
"created_at": "2022-09-04T14:37:52.750403Z",
"updated_at": "2022-09-04T14:37:52.750424Z",
"structure_string": "Mg1 Ta1 Rh2\n1.0\n-0.000000 3.141611 3.141611\n3.141611 0.000000 3.141611\n3.141611 3.141611 0.000000\nMg Ta Rh\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Mg\n0.749999 0.749999 0.749999 Ta\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n",
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"elements": [
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"density": 11.007056412648792,
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},
{
"id": "jvasp-85567",
"created_at": "2022-09-04T14:36:10.162474Z",
"updated_at": "2022-09-04T14:36:10.162510Z",
"structure_string": "Pu3 Ni9\n1.0\n4.693311 0.069755 7.231661\n2.193007 4.150031 7.231661\n0.113835 0.069755 8.620392\nPu Ni\n3 9\ndirect\n0.147591 0.147591 0.147591 Pu\n0.000000 0.000000 0.000000 Pu\n0.852410 0.852411 0.852407 Pu\n0.418119 0.418120 0.916474 Ni\n0.916476 0.418120 0.418117 Ni\n0.667307 0.667308 0.667305 Ni\n0.581882 0.581882 0.083524 Ni\n0.418119 0.916476 0.418117 Ni\n0.500000 0.500001 0.499999 Ni\n0.083525 0.581882 0.581880 Ni\n0.332693 0.332694 0.332692 Ni\n0.581881 0.083526 0.581880 Ni\n",
"nsites": 12,
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"elements": [
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"density_atomic": 0.0740906296455908,
"volume": 161.96380105556483,
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},
{
"id": "jvasp-45925",
"created_at": "2022-09-04T14:35:48.036764Z",
"updated_at": "2022-09-04T14:35:48.036781Z",
"structure_string": "Li2 Mn3 Ga1 O8\n1.0\n0.079797 4.134218 4.134218\n4.134218 0.079797 4.134218\n4.134218 4.134218 0.079797\nLi Mn Ga O\n2 3 1 8\ndirect\n0.122894 0.122894 0.122894 Li\n0.877107 0.877107 0.877107 Li\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Ga\n0.263011 0.263011 0.263011 O\n0.713545 0.257363 0.257363 O\n0.257363 0.713545 0.257363 O\n0.257363 0.257363 0.713545 O\n0.742638 0.286456 0.742638 O\n0.742638 0.742638 0.286456 O\n0.286456 0.742638 0.742638 O\n0.736990 0.736990 0.736990 O\n",
"nsites": 14,
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"elements": [
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],
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"volume": 137.23100600927918,
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"formula_full": "Li2 Mn3 Ga1 O8",
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},
{
"id": "jvasp-17314",
"created_at": "2022-09-04T14:38:00.025860Z",
"updated_at": "2022-09-04T14:38:00.025872Z",
"structure_string": "Cr2 As4\n1.0\n3.156084 0.000000 0.800474\n1.447204 4.450455 0.916104\n-0.014195 0.004251 6.678062\nCr As\n2 4\ndirect\n0.152756 0.393678 0.300810 Cr\n0.847243 0.606321 0.699189 Cr\n0.404687 0.796011 0.394613 As\n0.595312 0.203988 0.605386 As\n0.849277 0.263186 0.038257 As\n0.150723 0.736812 0.961742 As\n",
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"formula_full": "Cr2 As4",
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"spacegroup": 12
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{
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"created_at": "2022-09-04T14:38:45.593718Z",
"updated_at": "2022-09-04T14:38:45.593749Z",
"structure_string": "Cr3 Te5\n1.0\n3.898910 -0.000000 0.000000\n-1.949455 3.376555 0.000000\n-0.000000 -0.000000 15.811785\nCr Te\n3 5\ndirect\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.289938 Cr\n0.000000 0.000000 0.710062 Cr\n0.333334 0.666666 0.803130 Te\n0.333334 0.666666 0.397025 Te\n0.666667 0.333333 0.196870 Te\n0.666667 0.333333 0.602976 Te\n0.000000 0.000000 0.000000 Te\n",
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{
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"created_at": "2022-09-04T14:36:38.980904Z",
"updated_at": "2022-09-04T14:36:38.981131Z",
"structure_string": "H4 S28 N4\n1.0\n7.614458 -0.000000 0.000000\n0.000000 7.786717 0.000000\n0.000000 0.000000 13.165401\nH S N\n4 28 4\ndirect\n0.194751 0.894179 0.750000 H\n0.694750 0.605822 0.250000 H\n0.305250 0.394179 0.750000 H\n0.805250 0.105822 0.250000 H\n0.509444 0.276390 0.420135 S\n0.009443 0.223611 0.579865 S\n0.990557 0.776390 0.079865 S\n0.490557 0.723611 0.920135 S\n0.665220 0.530229 0.622966 S\n0.165220 0.969772 0.377034 S\n0.334780 0.469772 0.122966 S\n0.509444 0.276390 0.079865 S\n0.334780 0.469772 0.377034 S\n0.834780 0.030228 0.622966 S\n0.165220 0.969772 0.122966 S\n0.665220 0.530229 0.877034 S\n0.834780 0.030228 0.877034 S\n0.009443 0.223611 0.920135 S\n0.990557 0.776390 0.420135 S\n0.490557 0.723611 0.579865 S\n0.799127 0.616305 0.750000 S\n0.299127 0.883695 0.250000 S\n0.700873 0.116305 0.750000 S\n0.200873 0.383695 0.250000 S\n0.742950 0.832221 0.362871 S\n0.242950 0.667780 0.637129 S\n0.757051 0.332220 0.137129 S\n0.757051 0.332220 0.362871 S\n0.257051 0.167780 0.637129 S\n0.742950 0.832221 0.137129 S\n0.242950 0.667780 0.862871 S\n0.257051 0.167780 0.862871 S\n0.285780 0.263300 0.750000 N\n0.214220 0.763300 0.750000 N\n0.714220 0.736701 0.250000 N\n0.785780 0.236700 0.250000 N\n",
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{
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"created_at": "2022-09-04T14:36:08.215256Z",
"updated_at": "2022-09-04T14:36:08.215272Z",
"structure_string": "Cr1 Fe2 Se4\n1.0\n3.368546 -0.000936 -0.926711\n-0.743973 5.565914 -2.700433\n-0.008193 -0.030767 6.559767\nCr Fe Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.257516 0.306596 0.515450 Fe\n0.742487 0.693402 0.484550 Fe\n0.636371 0.975411 0.272527 Se\n0.889083 0.550375 0.778241 Se\n0.110919 0.449623 0.221759 Se\n0.363631 0.024587 0.727473 Se\n",
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}
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}