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{
"id": "jvasp-22718",
"created_at": "2022-09-04T14:36:38.803118Z",
"updated_at": "2022-09-04T14:36:38.803140Z",
"structure_string": "Rb2 Ge1 F6\n1.0\n5.854896 0.000000 0.000000\n-2.927448 5.070489 -0.000000\n0.000000 -0.000000 4.761938\nRb Ge F\n2 1 6\ndirect\n0.333333 0.666667 0.699576 Rb\n0.666667 0.333333 0.300425 Rb\n0.000000 0.000000 0.000000 Ge\n0.849666 0.150335 0.783496 F\n0.849666 0.699330 0.783496 F\n0.300671 0.150335 0.783496 F\n0.150335 0.849665 0.216504 F\n0.150335 0.300670 0.216504 F\n0.699330 0.849665 0.216504 F\n",
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{
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"updated_at": "2022-09-04T14:35:50.865282Z",
"structure_string": "Er1 Cu4 Au1\n1.0\n0.000000 3.551159 3.551159\n3.551159 0.000000 3.551159\n3.551159 3.551159 0.000000\nEr Cu Au\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.126846 0.624385 0.624385 Cu\n0.624385 0.126846 0.624385 Cu\n0.624385 0.624385 0.126846 Cu\n0.624385 0.624385 0.624385 Cu\n0.250000 0.250000 0.250000 Au\n",
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{
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"updated_at": "2022-09-04T14:36:02.022652Z",
"structure_string": "Be1 Cd4 Rh1\n1.0\n0.000000 3.863659 3.863659\n3.863659 0.000000 3.863659\n3.863659 3.863659 -0.000000\nBe Cd Rh\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125431 0.624856 0.624856 Cd\n0.624856 0.624856 0.624856 Cd\n0.624856 0.125431 0.624856 Cd\n0.624856 0.624856 0.125431 Cd\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 6,
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"density": 8.083886363835019,
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"volume": 115.35232798896342,
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"spacegroup": 216
},
{
"id": "jvasp-107461",
"created_at": "2022-09-04T14:36:55.099526Z",
"updated_at": "2022-09-04T14:36:55.099544Z",
"structure_string": "Li1 Zn1 Cd2\n1.0\n4.050257 0.000000 2.338417\n1.350086 3.818619 2.338417\n0.000000 0.000000 4.676834\nLi Zn Cd\n1 1 2\ndirect\n0.500001 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Zn\n0.750001 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
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"elements": [
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"Zn",
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],
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"density_atomic": 0.055299235287662285,
"volume": 72.33373082271959,
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"formula_full": "Li1 Zn1 Cd2",
"formula_reduced": "LiZnCd2",
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"spacegroup": 225
},
{
"id": "jvasp-65008",
"created_at": "2022-09-04T14:35:43.644458Z",
"updated_at": "2022-09-04T14:35:43.644481Z",
"structure_string": "Sr1 Be1 In4\n1.0\n-0.000000 4.372251 4.372251\n4.372251 -0.000000 4.372251\n4.372251 4.372251 0.000000\nSr Be In\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Be\n0.123360 0.625547 0.625547 In\n0.625547 0.625547 0.625547 In\n0.625547 0.123360 0.625547 In\n0.625547 0.625547 0.123360 In\n",
"nsites": 6,
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"elements": [
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"volume": 167.16496161097788,
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"formula_full": "Sr1 Be1 In4",
"formula_reduced": "SrBeIn4",
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"spacegroup": 216
},
{
"id": "jvasp-91451",
"created_at": "2022-09-04T14:36:15.366248Z",
"updated_at": "2022-09-04T14:36:15.366271Z",
"structure_string": "Mn2 Cd2 F10\n1.0\n5.157321 0.000178 -1.962779\n-2.165105 5.027115 -0.694730\n-0.023230 0.006829 7.757547\nMn Cd F\n2 2 10\ndirect\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.705761 0.455741 0.249932 Cd\n0.294240 0.544261 0.750069 Cd\n0.333899 0.083418 0.249670 F\n0.666102 0.916583 0.750331 F\n0.569501 0.735723 0.377390 F\n0.859072 0.191822 0.123437 F\n0.752265 0.677218 0.025436 F\n0.152206 0.726596 0.474392 F\n0.247736 0.322783 0.974565 F\n0.847796 0.273405 0.525609 F\n0.140930 0.808180 0.876564 F\n0.430500 0.264278 0.622611 F\n",
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"density": 4.335618975114241,
"density_atomic": 0.06966807011282727,
"volume": 200.95288957088997,
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"formula_full": "Mn2 Cd2 F10",
"formula_reduced": "MnCdF5",
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"spacegroup": 15
},
{
"id": "jvasp-18841",
"created_at": "2022-09-04T14:35:45.681969Z",
"updated_at": "2022-09-04T14:35:45.681981Z",
"structure_string": "Sr3 In1\n1.0\n5.222009 -0.000000 3.014928\n1.740670 4.923358 3.014928\n0.000000 -0.000000 6.029857\nSr In\n3 1\ndirect\n0.750000 0.750000 0.750001 Sr\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.025802034170367947,
"volume": 155.02653680668925,
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"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-18658",
"created_at": "2022-09-04T14:35:53.916644Z",
"updated_at": "2022-09-04T14:35:53.916663Z",
"structure_string": "Tm2 Cd6\n1.0\n4.820707 0.000000 -0.000000\n0.000000 5.931772 -2.488562\n0.000000 -0.036634 6.432535\nTm Cd\n2 6\ndirect\n0.750000 0.366635 0.633366 Tm\n0.250000 0.633365 0.366635 Tm\n0.750000 0.822610 0.177390 Cd\n0.250000 0.177390 0.822611 Cd\n0.750000 0.313454 0.122946 Cd\n0.250000 0.686546 0.877056 Cd\n0.250000 0.122946 0.313455 Cd\n0.750000 0.877055 0.686546 Cd\n",
"nsites": 8,
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"elements": [
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],
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"density": 9.16082628642113,
"density_atomic": 0.04359649088592754,
"volume": 183.50100747632214,
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"formula_full": "Tm2 Cd6",
"formula_reduced": "TmCd3",
"formula_anonymous": "AB3",
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"spacegroup": 63
},
{
"id": "jvasp-86086",
"created_at": "2022-09-04T14:35:47.390437Z",
"updated_at": "2022-09-04T14:35:47.390465Z",
"structure_string": "Rb1 In6 Au4\n1.0\n8.270572 -0.000000 -0.000000\n-4.135286 7.162525 -0.000000\n-0.000000 0.000000 4.560261\nRb In Au\n1 6 4\ndirect\n0.000000 0.000000 0.000000 Rb\n0.535262 0.464738 0.000000 In\n0.196816 0.803184 0.500000 In\n0.535262 0.070524 0.000000 In\n0.196816 0.393632 0.500000 In\n0.929476 0.464738 0.000000 In\n0.606368 0.803184 0.500000 In\n0.796064 0.203936 0.500000 Au\n0.333333 0.666667 0.000000 Au\n0.796064 0.592129 0.500000 Au\n0.407871 0.203936 0.500000 Au\n",
"nsites": 11,
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"elements": [
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"density": 9.602980141663949,
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"volume": 270.14155610185236,
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"formula_full": "Rb1 In6 Au4",
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{
"id": "jvasp-94735",
"created_at": "2022-09-04T14:35:48.029015Z",
"updated_at": "2022-09-04T14:35:48.029040Z",
"structure_string": "Ca1 Mg6 Ti1\n1.0\n6.240971 -1.670677 0.000000\n-4.567333 7.910852 0.000000\n0.000000 0.000000 4.484952\nCa Mg Ti\n1 6 1\ndirect\n0.250044 0.375021 0.250000 Ca\n0.749969 0.374961 0.250000 Mg\n0.749969 0.875008 0.250000 Mg\n0.249968 0.107013 0.750000 Mg\n0.249968 0.642955 0.750000 Mg\n0.714084 0.107042 0.750000 Mg\n0.785994 0.642996 0.750000 Mg\n0.250004 0.875001 0.250000 Ti\n",
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},
{
"id": "jvasp-14591",
"created_at": "2022-09-04T14:36:07.574497Z",
"updated_at": "2022-09-04T14:36:07.574522Z",
"structure_string": "Sb2\n1.0\n3.862705 0.008824 2.527338\n1.371145 3.611168 2.527338\n0.012757 0.008824 4.616033\nSb\n2\ndirect\n0.267192 0.267192 0.267192 Sb\n0.732809 0.732807 0.732808 Sb\n",
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{
"id": "jvasp-40320",
"created_at": "2022-09-04T14:37:44.188881Z",
"updated_at": "2022-09-04T14:37:44.188897Z",
"structure_string": "Sm1 Ag1 Hg2\n1.0\n0.000000 3.574508 3.574508\n3.574508 0.000000 3.574508\n3.574508 3.574508 0.000000\nSm Ag Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sm\n0.250001 0.250001 0.250001 Ag\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.500001 Hg\n",
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