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{
"id": "jvasp-18117",
"created_at": "2022-09-04T14:37:27.034805Z",
"updated_at": "2022-09-04T14:37:27.034818Z",
"structure_string": "Yb3 In3 Pd3\n1.0\n3.788002 -6.561012 -0.000000\n3.788002 6.561012 0.000000\n-0.000000 0.000000 3.972379\nYb In Pd\n3 3 3\ndirect\n0.404352 -0.000000 0.500000 Yb\n0.595647 0.595647 0.500000 Yb\n-0.000000 0.404352 0.500000 Yb\n0.739010 -0.000000 0.000000 In\n0.260990 0.260990 0.000000 In\n-0.000000 0.739010 0.000000 In\n0.000000 0.000000 0.500000 Pd\n0.333333 0.666667 0.000000 Pd\n0.666667 0.333333 0.000000 Pd\n",
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{
"id": "jvasp-40850",
"created_at": "2022-09-04T14:37:32.682535Z",
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"structure_string": "Pm1 Mg1 Hg2\n1.0\n0.000000 3.627883 3.627883\n3.627883 0.000000 3.627883\n3.627883 3.627883 0.000000\nPm Mg Hg\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Pm\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
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{
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"updated_at": "2022-09-04T14:37:31.818455Z",
"structure_string": "Sr2 Li1 Tl1\n1.0\n0.000000 4.057947 4.057947\n4.057947 0.000000 4.057947\n4.057947 4.057947 0.000000\nSr Li Tl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Li\n0.750001 0.750001 0.750001 Tl\n",
"nsites": 4,
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{
"id": "jvasp-106495",
"created_at": "2022-09-04T14:37:14.952944Z",
"updated_at": "2022-09-04T14:37:14.952972Z",
"structure_string": "Ca2 Tl1 Sn1\n1.0\n4.715094 0.000000 2.722261\n1.571698 4.445433 2.722261\n-0.000000 -0.000000 5.444522\nCa Tl Sn\n2 1 1\ndirect\n0.750000 0.749999 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
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"elements": [
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],
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"density": 5.86757349709944,
"density_atomic": 0.03505062851331861,
"volume": 114.12063548247279,
"volume_molar": 17.181263262402542,
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{
"id": "jvasp-3981",
"created_at": "2022-09-04T14:37:13.584549Z",
"updated_at": "2022-09-04T14:37:13.584568Z",
"structure_string": "K4 Cd1 P2\n1.0\n5.644772 -0.000000 0.000000\n-2.822386 4.593072 -1.673278\n0.000000 0.034435 9.615825\nK Cd P\n4 1 2\ndirect\n0.392219 0.784439 0.676478 K\n0.207805 0.415611 0.123575 K\n0.792193 0.584388 0.876424 K\n0.607779 0.215559 0.323521 K\n-0.000000 -0.000000 0.500000 Cd\n0.910641 0.821285 0.232154 P\n0.089357 0.178713 0.767845 P\n",
"nsites": 7,
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"elements": [
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"density": 2.2001322761177193,
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"volume": 249.6332447867394,
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"formula_full": "K4 Cd1 P2",
"formula_reduced": "K4CdP2",
"formula_anonymous": "AB2C4",
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"spacegroup": 166
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{
"id": "jvasp-105489",
"created_at": "2022-09-04T14:37:13.564523Z",
"updated_at": "2022-09-04T14:37:13.564545Z",
"structure_string": "Hg2 Te1 Se1\n1.0\n4.371359 0.003323 6.578300\n1.988854 3.892718 6.578300\n0.005425 0.003323 7.898277\nHg Te Se\n2 1 1\ndirect\n0.004755 0.004755 0.004755 Hg\n0.495569 0.495569 0.495571 Hg\n0.624058 0.624058 0.624060 Te\n0.125616 0.125616 0.125616 Se\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-17911",
"created_at": "2022-09-04T14:37:27.098699Z",
"updated_at": "2022-09-04T14:37:27.098721Z",
"structure_string": "Tm3 Mg3 In3\n1.0\n3.713736 -6.432380 0.000000\n3.713736 6.432380 -0.000000\n0.000000 0.000000 4.609861\nTm Mg In\n3 3 3\ndirect\n0.000000 0.565201 0.000000 Tm\n0.434800 0.434800 0.000000 Tm\n0.565201 0.000000 0.000000 Tm\n0.757615 0.757615 0.500000 Mg\n0.242386 0.000000 0.500000 Mg\n0.000000 0.242386 0.500000 Mg\n0.666668 0.333334 0.500000 In\n0.000000 0.000000 0.000000 In\n0.333334 0.666668 0.500000 In\n",
"nsites": 9,
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"In"
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"density_atomic": 0.040864102301170414,
"volume": 220.2422050940839,
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"formula_full": "Tm3 Mg3 In3",
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"spacegroup": 189
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{
"id": "jvasp-38696",
"created_at": "2022-09-04T14:37:27.841029Z",
"updated_at": "2022-09-04T14:37:27.841052Z",
"structure_string": "Na1 Sr1 Hg2\n1.0\n0.000000 3.843723 3.843723\n3.843723 -0.000000 3.843723\n3.843723 3.843723 0.000000\nNa Sr Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Na\n0.749998 0.749998 0.749998 Sr\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
"nsites": 4,
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"elements": [
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"volume": 113.57591466720314,
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"formula_full": "Na1 Sr1 Hg2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-9595",
"created_at": "2022-09-04T14:37:27.135891Z",
"updated_at": "2022-09-04T14:37:27.135918Z",
"structure_string": "Na2 Cd2 F6\n1.0\n5.068178 -0.014086 3.290520\n1.779660 4.745464 3.290520\n-0.020387 -0.014086 6.042642\nNa Cd F\n2 2 6\ndirect\n0.291064 0.291063 0.291064 Na\n0.791064 0.791062 0.791064 Na\n0.003030 0.003030 0.003030 Cd\n0.503030 0.503028 0.503030 Cd\n0.109485 0.390206 0.702214 F\n0.390207 0.702212 0.109486 F\n0.702214 0.109484 0.390207 F\n0.202214 0.890205 0.609486 F\n0.609485 0.202212 0.890207 F\n0.890207 0.609484 0.202214 F\n",
"nsites": 10,
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"elements": [
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"F"
],
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"density": 4.377834748546944,
"density_atomic": 0.06851478196777509,
"volume": 145.9539053149633,
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"formula_full": "Na2 Cd2 F6",
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"formula_anonymous": "ABC3",
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"spacegroup": 161
},
{
"id": "jvasp-79903",
"created_at": "2022-09-04T14:37:14.955613Z",
"updated_at": "2022-09-04T14:37:14.955634Z",
"structure_string": "Ho1 Ag1 Hg2\n1.0\n0.000000 3.519827 3.519827\n3.519827 -0.000000 3.519827\n3.519827 3.519827 0.000000\nHo Ag Hg\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Ho\n0.250001 0.250001 0.250001 Ag\n0.500001 0.500001 0.500001 Hg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"volume": 87.21555539689011,
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"formula_full": "Ho1 Ag1 Hg2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-82020",
"created_at": "2022-09-04T14:37:13.532014Z",
"updated_at": "2022-09-04T14:37:13.532041Z",
"structure_string": "K1 Ba1 Au2\n1.0\n-10.518711 -0.000000 -6.072980\n-7.448699 0.380112 0.755565\n-6.168324 4.001562 -1.462111\nK Ba Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 -0.000000 0.000000 Ba\n0.749422 -0.000000 0.000000 Au\n0.250578 -0.000000 0.000000 Au\n",
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{
"id": "jvasp-42115",
"created_at": "2022-09-04T14:37:31.834184Z",
"updated_at": "2022-09-04T14:37:31.834201Z",
"structure_string": "Pm1 Cd1 Hg2\n1.0\n0.000000 3.640336 3.640336\n3.640336 0.000000 3.640336\n3.640336 3.640336 -0.000000\nPm Cd Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Pm\n0.249999 0.249999 0.249999 Cd\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.500001 Hg\n",
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