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{
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"results": [
{
"id": "jvasp-12071",
"created_at": "2022-09-04T14:37:17.538670Z",
"updated_at": "2022-09-04T14:37:17.538687Z",
"structure_string": "Te8 O16\n1.0\n5.456931 0.000000 0.000000\n0.000000 5.723224 0.000000\n0.000000 0.000000 11.825722\nTe O\n8 16\ndirect\n0.020746 0.128920 0.120968 Te\n0.979254 0.628920 0.379031 Te\n0.479254 0.871080 0.620968 Te\n0.979254 0.871080 0.879031 Te\n0.479254 0.628920 0.120968 Te\n0.020746 0.371080 0.620968 Te\n0.520746 0.128920 0.379031 Te\n0.520746 0.371080 0.879031 Te\n0.854848 0.664512 0.531396 O\n0.354848 0.835487 0.468604 O\n0.145151 0.164512 0.968603 O\n0.645151 0.335487 0.031396 O\n0.718299 0.422979 0.325893 O\n0.854848 0.835487 0.031396 O\n0.354848 0.664512 0.968603 O\n0.218299 0.422979 0.174107 O\n0.718299 0.077020 0.825893 O\n0.781701 0.922979 0.325893 O\n0.281701 0.577020 0.674107 O\n0.781701 0.577020 0.825893 O\n0.281701 0.922979 0.174107 O\n0.218299 0.077020 0.674107 O\n0.645151 0.164512 0.531396 O\n0.145151 0.335487 0.468604 O\n",
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{
"id": "jvasp-55638",
"created_at": "2022-09-04T14:37:18.106859Z",
"updated_at": "2022-09-04T14:37:18.106881Z",
"structure_string": "B8 Cl16\n1.0\n6.144642 -0.000000 0.000000\n0.000000 7.563560 0.000000\n0.000000 0.000000 11.823528\nB Cl\n8 16\ndirect\n0.384695 0.057925 0.515260 B\n0.884694 0.442075 0.484740 B\n0.615305 0.557925 0.984740 B\n0.115305 0.942075 0.015260 B\n0.615305 0.942075 0.484740 B\n0.115305 0.557925 0.515260 B\n0.384695 0.442075 0.015260 B\n0.884694 0.057925 0.984740 B\n0.240049 0.686750 0.409392 Cl\n0.740049 0.813250 0.590608 Cl\n0.240049 0.813250 0.909393 Cl\n0.740049 0.686750 0.090608 Cl\n0.759950 0.313250 0.590608 Cl\n0.259950 0.186750 0.409392 Cl\n0.264979 0.049521 0.648835 Cl\n0.735021 0.950479 0.351165 Cl\n0.735021 0.549521 0.851165 Cl\n0.235021 0.950479 0.148835 Cl\n0.259950 0.313250 0.909393 Cl\n0.235021 0.549521 0.648835 Cl\n0.264979 0.450479 0.148835 Cl\n0.764979 0.049521 0.851165 Cl\n0.764979 0.450479 0.351165 Cl\n0.759950 0.186750 0.090608 Cl\n",
"nsites": 24,
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],
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"formula_full": "B8 Cl16",
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{
"id": "jvasp-56088",
"created_at": "2022-09-04T14:37:27.995971Z",
"updated_at": "2022-09-04T14:37:27.995992Z",
"structure_string": "Mg8 H16\n1.0\n4.792072 -0.000000 0.000000\n0.000000 4.876557 0.000000\n0.000000 0.000000 9.374959\nMg H\n8 16\ndirect\n0.278710 0.027864 0.117974 Mg\n0.221290 0.527864 0.882027 Mg\n0.721290 0.472137 0.617974 Mg\n0.778709 0.472137 0.117974 Mg\n0.778709 0.972137 0.382026 Mg\n0.278710 0.527864 0.382026 Mg\n0.221290 0.027864 0.617974 Mg\n0.721290 0.972137 0.882027 Mg\n0.158780 0.874119 0.294943 H\n0.658780 0.125882 0.205057 H\n0.477732 0.756657 0.526359 H\n0.522267 0.743344 0.026359 H\n0.841219 0.125882 0.705057 H\n0.841219 0.625882 0.794943 H\n0.977732 0.243343 0.973641 H\n0.977732 0.743344 0.526359 H\n0.341219 0.874119 0.794943 H\n0.341219 0.374118 0.705057 H\n0.158780 0.374118 0.205057 H\n0.022268 0.756657 0.026359 H\n0.022268 0.256657 0.473641 H\n0.522267 0.243343 0.473641 H\n0.477732 0.256657 0.973641 H\n0.658780 0.625882 0.294943 H\n",
"nsites": 24,
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"elements": [
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"density": 1.5960021537082307,
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},
{
"id": "jvasp-10115",
"created_at": "2022-09-04T14:37:31.723141Z",
"updated_at": "2022-09-04T14:37:31.723161Z",
"structure_string": "Cd8 As8\n1.0\n6.126778 -0.000000 0.000000\n0.000000 7.912642 0.000000\n0.000000 0.000000 8.131887\nCd As\n8 8\ndirect\n0.050256 0.631958 0.861689 Cd\n0.550256 0.868042 0.138311 Cd\n0.949744 0.131958 0.638311 Cd\n0.449744 0.368042 0.361689 Cd\n0.949744 0.368042 0.138311 Cd\n0.449744 0.131958 0.861689 Cd\n0.050256 0.868042 0.361689 Cd\n0.550256 0.631958 0.638311 Cd\n0.633133 0.065382 0.403619 As\n0.133133 0.434617 0.596381 As\n0.366867 0.565382 0.096381 As\n0.866868 0.934617 0.903619 As\n0.366867 0.934617 0.596381 As\n0.866868 0.565382 0.403619 As\n0.633133 0.434617 0.903619 As\n0.133133 0.065382 0.096381 As\n",
"nsites": 16,
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"elements": [
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],
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"density": 6.312588051829053,
"density_atomic": 0.040585881817842714,
"volume": 394.2257574151301,
"volume_molar": 14.838018764822044,
"formula_full": "Cd8 As8",
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{
"id": "jvasp-10114",
"created_at": "2022-09-04T14:37:31.910522Z",
"updated_at": "2022-09-04T14:37:31.910547Z",
"structure_string": "Zn8 As8\n1.0\n5.789104 -0.000000 0.000000\n0.000000 7.317375 0.000000\n0.000000 0.000000 7.629480\nZn As\n8 8\ndirect\n0.543675 0.617942 0.633473 Zn\n0.043676 0.882059 0.366527 Zn\n0.456324 0.117941 0.866527 Zn\n0.956324 0.382059 0.133473 Zn\n0.456324 0.382059 0.366527 Zn\n0.956324 0.117941 0.633473 Zn\n0.543675 0.882059 0.133473 Zn\n0.043676 0.617942 0.866527 Zn\n0.136586 0.074396 0.101960 As\n0.636586 0.425604 0.898040 As\n0.863413 0.574397 0.398040 As\n0.363413 0.925604 0.601960 As\n0.863413 0.925604 0.898040 As\n0.363413 0.574397 0.101960 As\n0.136586 0.425604 0.601960 As\n0.636586 0.074396 0.398040 As\n",
"nsites": 16,
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"elements": [
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"chemical_system": "As-Zn",
"density": 5.768061254002777,
"density_atomic": 0.04950606182245481,
"volume": 323.1927447063214,
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"formula_full": "Zn8 As8",
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"spacegroup": 61
},
{
"id": "jvasp-9087",
"created_at": "2022-09-04T14:37:32.847301Z",
"updated_at": "2022-09-04T14:37:32.847320Z",
"structure_string": "Cd8 Sb8\n1.0\n6.618534 -0.000000 0.000000\n0.000000 8.371657 0.000000\n0.000000 0.000000 8.666078\nCd Sb\n8 8\ndirect\n0.450024 0.122808 0.866656 Cd\n0.950024 0.377192 0.133344 Cd\n0.549975 0.622808 0.633344 Cd\n0.049976 0.877192 0.366656 Cd\n0.549975 0.877192 0.133344 Cd\n0.049976 0.622808 0.866656 Cd\n0.450024 0.377192 0.366656 Cd\n0.950024 0.122808 0.633344 Cd\n0.139408 0.074156 0.104181 Sb\n0.639408 0.425844 0.895820 Sb\n0.860592 0.574156 0.395820 Sb\n0.360592 0.925844 0.604181 Sb\n0.860592 0.925844 0.895820 Sb\n0.360592 0.574156 0.104181 Sb\n0.139408 0.425844 0.604181 Sb\n0.639408 0.074156 0.395820 Sb\n",
"nsites": 16,
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"elements": [
"Cd",
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"density": 6.478528458681743,
"density_atomic": 0.03332147047186024,
"volume": 480.17088602112847,
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"formula_full": "Cd8 Sb8",
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"spacegroup": 61
},
{
"id": "jvasp-5323",
"created_at": "2022-09-04T14:37:37.754129Z",
"updated_at": "2022-09-04T14:37:37.754138Z",
"structure_string": "Tm8 Cl16\n1.0\n6.179234 0.000000 0.000000\n0.000000 7.121829 0.000000\n0.000000 0.000000 12.106685\nTm Cl\n8 16\ndirect\n0.319095 0.047166 0.402243 Tm\n0.819095 0.952834 0.097757 Tm\n0.180905 0.547167 0.597757 Tm\n0.680904 0.452834 0.902243 Tm\n0.680904 0.952834 0.597757 Tm\n0.180905 0.047166 0.902243 Tm\n0.819095 0.452834 0.402243 Tm\n0.319095 0.547167 0.097757 Tm\n0.302834 0.877254 0.706432 Cl\n0.802834 0.122746 0.793568 Cl\n0.802834 0.622746 0.706432 Cl\n0.302834 0.377254 0.793568 Cl\n0.697166 0.122746 0.293568 Cl\n0.197166 0.877254 0.206432 Cl\n0.020768 0.704382 0.954553 Cl\n0.979232 0.295618 0.045446 Cl\n0.479232 0.204382 0.045446 Cl\n0.979232 0.795618 0.454553 Cl\n0.697166 0.622746 0.206432 Cl\n0.479232 0.704382 0.454553 Cl\n0.520767 0.795618 0.954553 Cl\n0.020768 0.204382 0.545446 Cl\n0.520767 0.295618 0.545446 Cl\n0.197166 0.377254 0.293568 Cl\n",
"nsites": 24,
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"elements": [
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"density": 5.980116627980625,
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"spacegroup": 61
},
{
"id": "jvasp-5500",
"created_at": "2022-09-04T14:37:40.214398Z",
"updated_at": "2022-09-04T14:37:40.214413Z",
"structure_string": "Os8 Br32\n1.0\n6.345052 0.000000 0.000000\n0.000000 12.031315 0.000000\n0.000000 0.000000 14.635649\nOs Br\n8 32\ndirect\n0.407577 0.628122 0.319165 Os\n0.907577 0.871878 0.680835 Os\n0.592422 0.128122 0.180835 Os\n0.092423 0.371878 0.819165 Os\n0.592422 0.371878 0.680835 Os\n0.092423 0.128122 0.319165 Os\n0.407577 0.871878 0.819165 Os\n0.907577 0.628122 0.180835 Os\n0.237722 0.988557 0.690644 Br\n0.262278 0.011443 0.190644 Br\n0.762278 0.488557 0.809356 Br\n0.262278 0.488557 0.690644 Br\n0.762278 0.011443 0.309356 Br\n0.737722 0.988557 0.809356 Br\n0.244102 0.004231 0.432405 Br\n0.755897 0.504229 0.067595 Br\n0.255897 0.995770 0.932405 Br\n0.737722 0.511442 0.309356 Br\n0.744102 0.495770 0.567595 Br\n0.244102 0.495770 0.932405 Br\n0.744102 0.004231 0.067595 Br\n0.237722 0.511442 0.190644 Br\n0.076729 0.744111 0.309443 Br\n0.923270 0.255889 0.690558 Br\n0.923270 0.244111 0.190558 Br\n0.423270 0.255889 0.809443 Br\n0.755897 0.995770 0.567595 Br\n0.423270 0.244111 0.309443 Br\n0.076729 0.755888 0.809443 Br\n0.576729 0.744111 0.190558 Br\n0.561584 0.750938 0.432190 Br\n0.061584 0.749062 0.567810 Br\n0.438416 0.250938 0.067810 Br\n0.938416 0.249062 0.932190 Br\n0.438416 0.249062 0.567810 Br\n0.938416 0.250938 0.432190 Br\n0.561584 0.749062 0.932190 Br\n0.061584 0.750938 0.067810 Br\n0.576729 0.755888 0.690558 Br\n0.255897 0.504229 0.432405 Br\n",
"nsites": 40,
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"elements": [
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{
"id": "jvasp-52461",
"created_at": "2022-09-04T14:37:43.999696Z",
"updated_at": "2022-09-04T14:37:43.999724Z",
"structure_string": "Ca8 Hf4 O16\n1.0\n5.648691 -0.000000 0.000000\n0.000000 5.778101 0.000000\n0.000000 0.000000 11.886154\nCa Hf O\n8 4 16\ndirect\n0.009575 0.055015 0.345203 Ca\n0.009575 0.444984 0.845203 Ca\n0.490425 0.555015 0.345203 Ca\n0.490425 0.944984 0.845203 Ca\n0.509575 0.055015 0.154797 Ca\n0.509575 0.444984 0.654797 Ca\n0.990425 0.555015 0.154797 Ca\n0.990425 0.944984 0.654797 Ca\n0.500000 0.000000 0.500000 Hf\n0.500000 0.500000 0.000000 Hf\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Hf\n0.802280 0.699631 0.966195 O\n0.802280 0.800369 0.466195 O\n0.697719 0.199631 0.966195 O\n0.697719 0.300369 0.466195 O\n0.595516 0.458971 0.167784 O\n0.595516 0.041029 0.667784 O\n0.404483 0.958971 0.332216 O\n0.095516 0.041029 0.832216 O\n0.302280 0.699631 0.533804 O\n0.302280 0.800369 0.033804 O\n0.197719 0.199631 0.533804 O\n0.197719 0.300369 0.033804 O\n0.904483 0.958971 0.167784 O\n0.095516 0.458971 0.332216 O\n0.404483 0.541029 0.832216 O\n0.904483 0.541029 0.667784 O\n",
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"elements": [
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"formula_full": "Ca8 Hf4 O16",
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{
"id": "jvasp-43367",
"created_at": "2022-09-04T14:37:51.271314Z",
"updated_at": "2022-09-04T14:37:51.271338Z",
"structure_string": "Hf8 O16\n1.0\n5.171984 -0.000000 0.000000\n0.000000 5.295556 0.000000\n0.000000 0.000000 10.153395\nHf O\n8 16\ndirect\n0.959101 0.341841 0.138155 Hf\n0.540897 0.841841 0.138155 Hf\n0.459102 0.341841 0.361845 Hf\n0.040898 0.841841 0.361845 Hf\n0.959101 0.158159 0.638155 Hf\n0.540897 0.658160 0.638155 Hf\n0.459102 0.158159 0.861845 Hf\n0.040898 0.658160 0.861845 Hf\n0.753334 0.913099 0.776599 O\n0.746665 0.413099 0.776599 O\n0.253334 0.913099 0.723402 O\n0.246666 0.413099 0.723402 O\n0.830486 0.833671 0.533456 O\n0.669512 0.333671 0.533456 O\n0.330487 0.666330 0.466544 O\n0.253334 0.586902 0.223402 O\n0.753334 0.586902 0.276598 O\n0.746665 0.086901 0.276598 O\n0.169513 0.333671 0.966545 O\n0.246666 0.086901 0.223402 O\n0.669512 0.166329 0.033456 O\n0.830486 0.666330 0.033456 O\n0.169513 0.166329 0.466544 O\n0.330487 0.833671 0.966545 O\n",
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{
"id": "jvasp-24242",
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{
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}