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{
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"results": [
{
"id": "jvasp-110983",
"created_at": "2022-09-04T14:38:39.066717Z",
"updated_at": "2022-09-04T14:38:39.066736Z",
"structure_string": "Tb1 Bi1 Te3\n1.0\n4.300446 -0.004301 9.878805\n2.053532 3.778473 9.878805\n-0.007241 -0.004301 10.774256\nTb Bi Te\n1 1 3\ndirect\n0.601264 0.601263 0.601262 Tb\n0.399611 0.399610 0.399610 Bi\n0.995957 0.995956 0.995955 Te\n0.787398 0.787397 0.787397 Te\n0.215773 0.215773 0.215773 Te\n",
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{
"id": "jvasp-110987",
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"structure_string": "Tb2 Al3 Fe1\n1.0\n4.740872 0.002248 2.565625\n1.529796 4.487270 2.565625\n0.003140 0.002248 5.390573\nTb Al Fe\n2 3 1\ndirect\n0.626319 0.626320 0.626318 Tb\n0.373681 0.373681 0.373680 Tb\n0.000000 0.500000 -0.000001 Al\n0.500000 0.000000 -0.000000 Al\n-0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Fe\n",
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{
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"updated_at": "2022-09-04T14:38:39.099656Z",
"structure_string": "Tb4 Mg2 Se8\n1.0\n7.138753 -0.000000 4.121561\n2.379585 6.730481 4.121561\n0.000000 0.000000 8.243123\nTb Mg Se\n4 2 8\ndirect\n0.625000 0.125000 0.625000 Tb\n0.624999 0.625000 0.125000 Tb\n0.125000 0.625000 0.625000 Tb\n0.624999 0.625000 0.625000 Tb\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.378957 0.378958 0.378958 Se\n0.863127 0.378958 0.378958 Se\n0.378957 0.863127 0.378958 Se\n0.378957 0.378958 0.863127 Se\n0.871041 0.871042 0.386873 Se\n0.871041 0.386873 0.871042 Se\n0.386872 0.871042 0.871042 Se\n0.871041 0.871042 0.871042 Se\n",
"nsites": 14,
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"elements": [
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"chemical_system": "Mg-Se-Tb",
"density": 5.517494515555809,
"density_atomic": 0.03534824017646525,
"volume": 396.0593209197769,
"volume_molar": 17.036606999206494,
"formula_full": "Tb4 Mg2 Se8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 227
},
{
"id": "jvasp-110375",
"created_at": "2022-09-04T14:38:39.103769Z",
"updated_at": "2022-09-04T14:38:39.103789Z",
"structure_string": "Rb3 Ta1 F6\n1.0\n5.758443 0.000000 3.324638\n1.919481 5.429112 3.324638\n0.000000 0.000000 6.649277\nRb Ta F\n3 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Rb\n0.000000 0.000000 0.000000 Ta\n0.778920 0.221079 0.221080 F\n0.221079 0.221079 0.778921 F\n0.221079 0.778920 0.778921 F\n0.221079 0.778920 0.221080 F\n0.778920 0.221079 0.778921 F\n0.778920 0.778920 0.221080 F\n",
"nsites": 10,
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"elements": [
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"Ta",
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"chemical_system": "F-Rb-Ta",
"density": 4.404145304049615,
"density_atomic": 0.04810516417700579,
"volume": 207.87788943416572,
"volume_molar": 12.518699110642627,
"formula_full": "Rb3 Ta1 F6",
"formula_reduced": "Rb3TaF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0822140895000007,
"spacegroup": 225
},
{
"id": "jvasp-110560",
"created_at": "2022-09-04T14:38:39.109092Z",
"updated_at": "2022-09-04T14:38:39.109112Z",
"structure_string": "Na3 Br1 Cl2\n1.0\n4.045913 -0.000000 0.000000\n-2.022956 3.503863 -0.000000\n0.000000 0.000000 9.908687\nNa Br Cl\n3 1 2\ndirect\n0.000000 0.000000 0.500000 Na\n0.333332 0.666666 0.178262 Na\n0.666666 0.333333 0.821739 Na\n0.000000 0.000000 0.000000 Br\n0.333332 0.666666 0.660822 Cl\n0.666666 0.333333 0.339179 Cl\n",
"nsites": 6,
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"elements": [
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"Br",
"Cl"
],
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"density": 2.59810160960611,
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"volume": 140.46876586707359,
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"formula_full": "Na3 Br1 Cl2",
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"formula_anonymous": "AB2C3",
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"spacegroup": 164
},
{
"id": "jvasp-110438",
"created_at": "2022-09-04T14:38:39.183096Z",
"updated_at": "2022-09-04T14:38:39.183116Z",
"structure_string": "Li2 Nd1 Ga1\n1.0\n4.111695 -0.000000 2.373888\n1.370565 3.876544 2.373888\n0.000000 0.000000 4.747777\nLi Nd Ga\n2 1 1\ndirect\n0.250001 0.250000 0.250000 Li\n0.750002 0.749999 0.750000 Li\n0.000000 0.000000 0.000000 Nd\n0.500001 0.500000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"Nd",
"Ga"
],
"chemical_system": "Ga-Li-Nd",
"density": 4.999614171847314,
"density_atomic": 0.05285718977903622,
"volume": 75.67560849756804,
"volume_molar": 11.39322916177517,
"formula_full": "Li2 Nd1 Ga1",
"formula_reduced": "Li2NdGa",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-106196",
"created_at": "2022-09-04T14:38:39.186410Z",
"updated_at": "2022-09-04T14:38:39.186437Z",
"structure_string": "Ta1 Sn1 Rh1\n1.0\n3.790769 -0.000000 2.188602\n1.263590 3.573971 2.188602\n-0.000000 -0.000000 4.377202\nTa Sn Rh\n1 1 1\ndirect\n0.500000 0.500000 0.499999 Ta\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 3,
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"elements": [
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"Sn",
"Rh"
],
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"density_atomic": 0.05058786152685924,
"volume": 59.3027637352722,
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"formula_full": "Ta1 Sn1 Rh1",
"formula_reduced": "TaSnRh",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-110456",
"created_at": "2022-09-04T14:38:39.190342Z",
"updated_at": "2022-09-04T14:38:39.190364Z",
"structure_string": "Pm2 Ga1 Hg1\n1.0\n4.571927 0.000000 2.639603\n1.523975 4.310453 2.639603\n-0.000000 -0.000000 5.279206\nPm Ga Hg\n2 1 1\ndirect\n0.250001 0.250000 0.250000 Pm\n0.750002 0.749999 0.749999 Pm\n0.500001 0.500000 0.499999 Ga\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"Ga",
"Hg"
],
"chemical_system": "Ga-Hg-Pm",
"density": 8.94311851063008,
"density_atomic": 0.038447595199816983,
"volume": 104.03771625277204,
"volume_molar": 15.663244290578325,
"formula_full": "Pm2 Ga1 Hg1",
"formula_reduced": "Pm2GaHg",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-106204",
"created_at": "2022-09-04T14:38:39.220437Z",
"updated_at": "2022-09-04T14:38:39.220461Z",
"structure_string": "K3 Al1 Cl6\n1.0\n6.378122 -0.000000 3.682411\n2.126041 6.013351 3.682411\n-0.000000 -0.000000 7.364820\nK Al Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Al\n0.776556 0.223443 0.223443 Cl\n0.223443 0.223443 0.776556 Cl\n0.223443 0.776556 0.776556 Cl\n0.223443 0.776556 0.223443 Cl\n0.776556 0.223443 0.776556 Cl\n0.776556 0.776556 0.223443 Cl\n",
"nsites": 10,
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"elements": [
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"Al",
"Cl"
],
"chemical_system": "Al-Cl-K",
"density": 2.0986452591049014,
"density_atomic": 0.035402056148456554,
"volume": 282.46946895020886,
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"formula_full": "K3 Al1 Cl6",
"formula_reduced": "K3AlCl6",
"formula_anonymous": "AB3C6",
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"spacegroup": 225
},
{
"id": "jvasp-110542",
"created_at": "2022-09-04T14:38:39.226099Z",
"updated_at": "2022-09-04T14:38:39.226124Z",
"structure_string": "Sn4 Te1 Se3\n1.0\n4.277160 0.000000 0.000000\n0.000000 4.639728 0.022859\n0.000000 -0.041066 11.894655\nSn Te Se\n4 1 3\ndirect\n0.500000 0.576856 0.624382 Sn\n0.500000 0.885028 0.120150 Sn\n0.000000 0.379180 0.373436 Sn\n0.000000 0.137434 0.890798 Sn\n0.000000 0.025364 0.641507 Te\n0.500000 0.529207 0.857938 Se\n0.500000 0.980496 0.350128 Se\n0.000000 0.486434 0.141662 Se\n",
"nsites": 8,
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"volume": 236.05176656563398,
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"formula_full": "Sn4 Te1 Se3",
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"formula_anonymous": "AB3C4",
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"spacegroup": 6
},
{
"id": "jvasp-20991",
"created_at": "2022-09-04T14:38:39.231075Z",
"updated_at": "2022-09-04T14:38:39.231103Z",
"structure_string": "Nd2 Cu4 O8\n1.0\n5.209209 0.099614 -2.609795\n-1.420854 4.994319 -2.642056\n-0.055169 -0.031135 6.392655\nNd Cu O\n2 4 8\ndirect\n0.874993 0.124993 0.749986 Nd\n0.125008 0.875007 0.250014 Nd\n0.500000 -0.000000 -0.000001 Cu\n0.500000 0.500000 -0.000001 Cu\n0.000000 0.500001 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.707398 0.531233 0.850999 O\n0.143602 0.819767 0.850999 O\n0.292603 0.468767 0.149001 O\n0.856399 0.180234 0.149000 O\n0.531309 0.143637 0.350998 O\n0.819690 0.707361 0.350997 O\n0.180311 0.292639 0.649003 O\n0.468692 0.856364 0.649002 O\n",
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"volume": 165.97046974276967,
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"formula_full": "Nd2 Cu4 O8",
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{
"id": "jvasp-110511",
"created_at": "2022-09-04T14:38:39.240733Z",
"updated_at": "2022-09-04T14:38:39.240743Z",
"structure_string": "Si2 P4 Ir1\n1.0\n4.691424 0.003907 1.596340\n-1.146115 4.549275 1.596340\n0.007531 0.009671 5.611640\nSi P Ir\n2 4 1\ndirect\n0.587538 0.587539 0.137725 Si\n0.412460 0.412460 0.862276 Si\n0.711744 0.160580 0.343314 P\n0.839419 0.288255 0.656687 P\n0.160579 0.711744 0.343314 P\n0.288254 0.839419 0.656687 P\n0.000000 0.000000 0.000000 Ir\n",
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"spacegroup": 12
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}