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{
"id": "jvasp-38351",
"created_at": "2022-09-04T14:37:17.932366Z",
"updated_at": "2022-09-04T14:37:17.932386Z",
"structure_string": "Hg3 Sb1\n1.0\n-2.160603 2.160603 5.679910\n2.160603 -2.160603 5.679910\n2.160603 2.160603 -5.679910\nHg Sb\n3 1\ndirect\n0.749998 0.250000 0.499998 Hg\n0.250000 0.749998 0.499998 Hg\n0.500001 0.500001 0.000000 Hg\n0.000000 0.000000 0.000000 Sb\n",
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{
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"structure_string": "Yb1 Eu1 Cd2\n1.0\n4.588896 -0.000000 2.649400\n1.529632 4.326453 2.649400\n0.000000 -0.000000 5.298801\nYb Eu Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Eu\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n",
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{
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"structure_string": "K2 S1\n1.0\n-3.687257 -3.687257 0.000000\n-3.687257 -0.000000 -3.687257\n0.000000 -3.687257 -3.687257\nK S\n2 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.750001 0.750001 K\n0.000000 0.000000 0.000000 S\n",
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{
"id": "jvasp-57158",
"created_at": "2022-09-04T14:37:32.164441Z",
"updated_at": "2022-09-04T14:37:32.164473Z",
"structure_string": "Zr2 Tl2 Cd2 F14\n1.0\n6.561040 0.028554 -0.000000\n-2.966624 5.852111 -0.000000\n0.000000 -0.000000 8.578411\nZr Tl Cd F\n2 2 2 14\ndirect\n0.192455 0.807545 0.250000 Zr\n0.807545 0.192454 0.750000 Zr\n0.500000 0.500000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n0.807647 0.192352 0.250000 Cd\n0.192353 0.807647 0.750000 Cd\n0.172241 0.474241 0.250000 F\n0.202807 0.797193 0.486461 F\n0.525759 0.827759 0.250000 F\n0.564193 0.845014 0.750000 F\n0.474241 0.172240 0.750000 F\n0.827759 0.525758 0.750000 F\n0.154986 0.435807 0.750000 F\n0.797193 0.202807 0.513539 F\n0.009223 0.990778 0.250000 F\n0.435807 0.154986 0.250000 F\n0.845014 0.564192 0.250000 F\n0.797193 0.202807 0.986461 F\n0.202807 0.797193 0.013539 F\n0.990777 0.009222 0.750000 F\n",
"nsites": 20,
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"density": 5.442931914338443,
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"volume": 330.1027740903641,
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"formula_full": "Zr2 Tl2 Cd2 F14",
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"spacegroup": 63
},
{
"id": "jvasp-35014",
"created_at": "2022-09-04T14:37:32.161989Z",
"updated_at": "2022-09-04T14:37:32.162023Z",
"structure_string": "Nd2 Zn2 In2\n1.0\n2.362451 -4.091885 -0.000000\n2.362451 4.091885 -0.000000\n-0.000000 -0.000000 7.615587\nNd Zn In\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n0.333333 0.666667 0.250000 In\n0.666667 0.333333 0.750000 In\n",
"nsites": 6,
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"elements": [
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{
"id": "jvasp-85166",
"created_at": "2022-09-04T14:37:17.513036Z",
"updated_at": "2022-09-04T14:37:17.513052Z",
"structure_string": "Er2 Tl2 Zn2\n1.0\n4.693447 -0.000000 0.000000\n-2.346723 4.064484 -0.000000\n-0.000000 -0.000000 7.077797\nEr Tl Zn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Er\n0.000000 0.000000 0.000000 Er\n0.333320 0.666638 0.250000 Tl\n0.666681 0.333361 0.750000 Tl\n0.333336 0.666671 0.750000 Zn\n0.666665 0.333328 0.250000 Zn\n",
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"spacegroup": 194
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{
"id": "jvasp-21829",
"created_at": "2022-09-04T14:37:32.783963Z",
"updated_at": "2022-09-04T14:37:32.783996Z",
"structure_string": "Li2 Ca2 Ga2 F12\n1.0\n2.557848 -4.430322 0.000000\n2.557848 4.430322 0.000000\n-0.000000 -0.000000 9.803389\nLi Ca Ga F\n2 2 2 12\ndirect\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.750000 Ga\n0.333333 0.666667 0.250000 Ga\n0.985647 0.350947 0.639749 F\n0.350947 0.985647 0.139749 F\n0.365300 0.014354 0.639749 F\n0.365300 0.350947 0.860251 F\n0.649053 0.014354 0.860251 F\n0.634701 0.985647 0.360251 F\n0.350947 0.365300 0.360251 F\n0.014354 0.365300 0.139749 F\n0.014354 0.649053 0.360251 F\n0.985647 0.634701 0.860251 F\n0.649054 0.634700 0.639749 F\n0.634700 0.649054 0.139749 F\n",
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"density_atomic": 0.08101328604608424,
"volume": 222.18577814212767,
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"formula_full": "Li2 Ca2 Ga2 F12",
"formula_reduced": "LiCaGaF6",
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"spacegroup": 163
},
{
"id": "jvasp-57571",
"created_at": "2022-09-04T14:37:27.935853Z",
"updated_at": "2022-09-04T14:37:27.935882Z",
"structure_string": "K4 Mn2 F12\n1.0\n2.843078 -4.924355 -0.000000\n2.843078 4.924355 0.000000\n-0.000000 -0.000000 9.231067\nK Mn F\n4 2 12\ndirect\n0.000000 0.000000 0.897901 K\n0.000000 0.000000 0.397900 K\n0.666667 0.333334 0.626025 K\n0.333334 0.666667 0.126025 K\n0.666667 0.333334 0.243418 Mn\n0.333334 0.666667 0.743419 Mn\n0.644218 0.822109 0.634391 F\n0.355783 0.177892 0.134390 F\n0.822109 0.644218 0.134390 F\n0.177892 0.822109 0.634391 F\n0.483991 0.516010 0.859829 F\n0.032019 0.516010 0.859829 F\n0.967982 0.483991 0.359829 F\n0.177892 0.355783 0.634391 F\n0.483991 0.967982 0.859829 F\n0.516010 0.483991 0.359829 F\n0.516010 0.032019 0.359829 F\n0.822109 0.177892 0.134390 F\n",
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"volume": 258.4758829265057,
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"formula_full": "K4 Mn2 F12",
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{
"id": "jvasp-8313",
"created_at": "2022-09-04T14:37:06.404547Z",
"updated_at": "2022-09-04T14:37:06.404573Z",
"structure_string": "V1 Zn1 F6\n1.0\n4.485606 0.078944 2.970297\n1.636227 4.177278 2.970298\n0.113547 0.078943 5.378702\nV Zn F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 V\n0.500001 0.499999 0.500000 Zn\n0.371994 0.102312 0.764508 F\n0.102314 0.764509 0.371993 F\n0.235493 0.628007 0.897686 F\n0.897688 0.235490 0.628007 F\n0.628009 0.897686 0.235491 F\n0.764510 0.371992 0.102314 F\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.08160022083625096,
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"formula_full": "V1 Zn1 F6",
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"formula_anonymous": "ABC6",
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{
"id": "jvasp-107602",
"created_at": "2022-09-04T14:37:17.444785Z",
"updated_at": "2022-09-04T14:37:17.444810Z",
"structure_string": "K2 Na1 Al1 Cl6\n1.0\n6.112405 -0.000000 3.528999\n2.037468 5.762831 3.528999\n-0.000000 -0.000000 7.057997\nK Na Al Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Al\n0.766639 0.233361 0.233361 Cl\n0.233362 0.233361 0.766639 Cl\n0.233362 0.766639 0.766639 Cl\n0.233362 0.766639 0.233361 Cl\n0.766639 0.233361 0.766639 Cl\n0.766640 0.766639 0.233361 Cl\n",
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{
"id": "jvasp-100710",
"created_at": "2022-09-04T14:37:06.413710Z",
"updated_at": "2022-09-04T14:37:06.413747Z",
"structure_string": "Ca2 Zn1 In1\n1.0\n4.594484 -0.000000 2.652627\n1.531495 4.331721 2.652627\n-0.000000 -0.000000 5.305253\nCa Zn In\n2 1 1\ndirect\n0.749999 0.750000 0.750001 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Zn\n0.499999 0.500000 0.500001 In\n",
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{
"id": "jvasp-100807",
"created_at": "2022-09-04T14:37:06.108290Z",
"updated_at": "2022-09-04T14:37:06.108311Z",
"structure_string": "Sr2 Cd2 Pb2\n1.0\n5.159113 0.061716 3.931627\n2.618769 4.445481 3.931627\n-0.074977 -0.043448 8.081898\nSr Cd Pb\n2 2 2\ndirect\n0.456041 0.456042 0.797100 Sr\n0.543957 0.543958 0.202902 Sr\n0.848042 0.848043 0.596241 Cd\n0.151957 0.151958 0.403760 Cd\n0.168506 0.168506 0.780525 Pb\n0.831493 0.831494 0.219476 Pb\n",
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