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{
"id": "jvasp-115457",
"created_at": "2022-09-04T14:38:44.578674Z",
"updated_at": "2022-09-04T14:38:44.578706Z",
"structure_string": "Mg1 Pd1 Au1\n1.0\n4.541129 1.432695 0.000000\n1.024670 4.650385 0.000000\n0.000000 0.000000 2.834522\nMg Pd Au\n1 1 1\ndirect\n-0.214694 0.089455 0.000000 Mg\n0.118495 0.422667 0.000000 Pd\n0.451994 -0.243865 0.000000 Au\n",
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{
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"structure_string": "Er2 Ga4 Pd2\n1.0\n4.411152 0.000000 -0.000000\n-2.205576 5.032646 -0.000000\n-0.000000 -0.000000 6.560357\nEr Ga Pd\n2 4 2\ndirect\n0.410143 0.820289 0.250000 Er\n0.589856 0.179712 0.750000 Er\n0.126065 0.252130 0.447994 Ga\n0.873934 0.747870 0.552006 Ga\n0.126065 0.252130 0.052006 Ga\n0.873934 0.747870 0.947995 Ga\n0.699161 0.398324 0.250000 Pd\n0.300838 0.601677 0.750000 Pd\n",
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{
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"structure_string": "Ba2 Cu1 Br1 O2\n1.0\n4.208566 -0.013878 9.203932\n1.993377 3.706572 9.203932\n-0.023310 -0.013878 10.120466\nBa Cu Br O\n2 1 1 2\ndirect\n0.747754 0.747751 0.747752 Ba\n0.252251 0.252250 0.252250 Ba\n0.500000 0.499998 0.499998 Cu\n0.000000 0.000000 0.000000 Br\n0.438407 0.438406 0.438406 O\n0.561593 0.561592 0.561592 O\n",
"nsites": 6,
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"volume": 159.23384388040702,
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"formula_anonymous": "ABC2D2",
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{
"id": "jvasp-100316",
"created_at": "2022-09-04T14:36:34.730151Z",
"updated_at": "2022-09-04T14:36:34.730179Z",
"structure_string": "Yb1 Tm1 Se2\n1.0\n3.867616 0.001209 5.932982\n1.763947 3.441940 5.932982\n0.001977 0.001209 7.082283\nYb Tm Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500001 0.500000 0.499998 Tm\n0.248321 0.248320 0.248319 Se\n0.751682 0.751680 0.751677 Se\n",
"nsites": 4,
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"volume": 94.20952381213371,
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"spacegroup": 166
},
{
"id": "jvasp-119428",
"created_at": "2022-09-04T14:38:52.794438Z",
"updated_at": "2022-09-04T14:38:52.794464Z",
"structure_string": "Zn8 I4 N4\n1.0\n6.312158 -0.000000 0.000000\n0.000000 6.419235 0.000000\n-0.000000 -0.000000 7.997911\nZn I N\n8 4 4\ndirect\n0.250000 0.651622 0.697014 Zn\n0.250000 0.151623 0.802986 Zn\n0.750000 0.348377 0.302986 Zn\n0.750000 0.848377 0.197014 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.500000 -0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n-0.000000 0.500000 -0.000000 Zn\n0.250000 0.418429 0.381539 I\n0.250000 0.918429 0.118461 I\n0.750000 0.581570 0.618461 I\n0.750000 0.081571 0.881538 I\n0.250000 0.441552 0.873518 N\n0.250000 0.941552 0.626482 N\n0.750000 0.558447 0.126482 N\n0.750000 0.058447 0.373518 N\n",
"nsites": 16,
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"elements": [
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"density": 5.5693902200772145,
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"volume": 324.069159810847,
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"formula_full": "Zn8 I4 N4",
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{
"id": "jvasp-15461",
"created_at": "2022-09-04T14:37:00.750699Z",
"updated_at": "2022-09-04T14:37:00.750714Z",
"structure_string": "Ho1 Ga5 Co1\n1.0\n4.209796 0.000000 -0.000000\n-0.000000 4.209796 -0.000000\n0.000000 -0.000000 6.805519\nHo Ga Co\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.000000 Ga\n0.000000 0.500000 0.310197 Ga\n0.500000 0.000000 0.310197 Ga\n0.000000 0.500000 0.689803 Ga\n0.500000 0.000000 0.689803 Ga\n0.000000 0.000000 0.500000 Co\n",
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"elements": [
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"density": 7.881791402184484,
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"volume": 120.61000988724255,
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"formula_full": "Ho1 Ga5 Co1",
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"formula_anonymous": "ABC5",
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{
"id": "jvasp-105519",
"created_at": "2022-09-04T14:36:55.058630Z",
"updated_at": "2022-09-04T14:36:55.058651Z",
"structure_string": "Er2 Ga3 Ni1\n1.0\n4.292677 -0.005940 3.413725\n2.131584 3.726052 3.413725\n-0.002990 -0.001731 6.986389\nEr Ga Ni\n2 3 1\ndirect\n0.461639 0.461639 0.290091 Er\n0.546736 0.546736 0.703330 Er\n0.148122 0.148122 0.319994 Ga\n0.176160 0.176160 0.874702 Ga\n0.836788 0.836787 0.093605 Ga\n0.830554 0.830554 0.718276 Ni\n",
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"volume": 111.88478142202752,
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"formula_full": "Er2 Ga3 Ni1",
"formula_reduced": "Er2Ga3Ni",
"formula_anonymous": "AB2C3",
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"spacegroup": 8
},
{
"id": "jvasp-19728",
"created_at": "2022-09-04T14:38:31.873776Z",
"updated_at": "2022-09-04T14:38:31.873798Z",
"structure_string": "Zn1 Ni1\n1.0\n2.890395 -0.000000 0.000000\n-0.000000 2.890395 0.000000\n-0.000000 -0.000000 2.890395\nZn Ni\n1 1\ndirect\n0.500001 0.500001 0.500001 Zn\n0.000000 0.000000 0.000000 Ni\n",
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"elements": [
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"density": 8.534099183679217,
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"volume": 24.147467591298376,
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"formula_full": "Zn1 Ni1",
"formula_reduced": "ZnNi",
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},
{
"id": "jvasp-120396",
"created_at": "2022-09-04T14:38:53.907539Z",
"updated_at": "2022-09-04T14:38:53.907568Z",
"structure_string": "Sb1 Au1 F1\n1.0\n4.744867 -0.000000 0.000000\n-2.372434 4.109176 -0.000000\n-0.000000 -0.000000 2.991927\nSb Au F\n1 1 1\ndirect\n0.666668 0.333334 0.000000 Sb\n0.000000 0.000000 0.000000 Au\n0.333334 0.666668 0.000000 F\n",
"nsites": 3,
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"elements": [
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"formula_full": "Sb1 Au1 F1",
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},
{
"id": "jvasp-49344",
"created_at": "2022-09-04T14:38:07.961036Z",
"updated_at": "2022-09-04T14:38:07.961063Z",
"structure_string": "K12 Sb4 Se12\n1.0\n9.742972 0.000000 0.000000\n0.000000 9.742972 -0.000000\n-0.000000 0.000000 9.742972\nK Sb Se\n12 4 12\ndirect\n0.821727 0.178273 0.678273 K\n0.186491 0.313508 0.686491 K\n0.313508 0.686491 0.186491 K\n0.686491 0.186491 0.313508 K\n0.813508 0.813508 0.813508 K\n0.425332 0.074668 0.925331 K\n0.074668 0.925331 0.425332 K\n0.925331 0.425332 0.074668 K\n0.574668 0.574668 0.574668 K\n0.678273 0.821727 0.178273 K\n0.178273 0.678273 0.821727 K\n0.321727 0.321727 0.321727 K\n0.967913 0.532086 0.467913 Sb\n0.532086 0.467913 0.967913 Sb\n0.467913 0.967913 0.532086 Sb\n0.032087 0.032087 0.032087 Sb\n0.223353 0.608224 0.498960 Se\n0.776647 0.108224 0.001040 Se\n0.998960 0.276647 0.391776 Se\n0.723353 0.891776 0.501040 Se\n0.108224 0.001040 0.776647 Se\n0.501040 0.723353 0.891776 Se\n0.001040 0.776647 0.108224 Se\n0.391776 0.998960 0.276647 Se\n0.498960 0.223353 0.608224 Se\n0.891776 0.501040 0.723353 Se\n0.608224 0.498960 0.223353 Se\n0.276647 0.391776 0.998960 Se\n",
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{
"id": "jvasp-38695",
"created_at": "2022-09-04T14:37:27.429698Z",
"updated_at": "2022-09-04T14:37:27.429719Z",
"structure_string": "Mg1 Pd1 Au2\n1.0\n-0.000000 3.244066 3.244066\n3.244066 -0.000000 3.244066\n3.244066 3.244066 0.000000\nMg Pd Au\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Pd\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
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{
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"structure_string": "Ba1 H1 Br1\n1.0\n4.541789 -0.808915 0.000000\n-1.285034 5.933388 0.000000\n0.000000 0.000000 5.324508\nBa H Br\n1 1 1\ndirect\n0.390405 -0.026991 0.000000 Ba\n-0.186447 -0.180755 0.000000 H\n0.098667 0.389631 0.000000 Br\n",
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