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{
"id": "mp-1214567",
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"spacegroup": 176
},
{
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"structure_string": "La3 Zr1 Ga5 O14\n1.0\n4.177849 -7.236247 0.000000\n4.177849 7.236247 0.000000\n0.000000 0.000000 5.217339\nLa Zr Ga O\n3 1 5 14\ndirect\n0.573548 0.000000 0.000000 La\n0.000000 0.573548 0.000000 La\n0.426452 0.426452 0.000000 La\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.530168 Ga\n0.666667 0.333333 0.469832 Ga\n0.245698 0.000000 0.500000 Ga\n0.000000 0.245698 0.500000 Ga\n0.754302 0.754302 0.500000 Ga\n0.149727 0.229655 0.245380 O\n0.770345 0.920072 0.245380 O\n0.229655 0.149727 0.754620 O\n0.079928 0.850273 0.245380 O\n0.920072 0.770345 0.754620 O\n0.850273 0.079928 0.754620 O\n0.333333 0.666667 0.180998 O\n0.666667 0.333333 0.819002 O\n0.458467 0.146459 0.300829 O\n0.853541 0.312008 0.300829 O\n0.146459 0.458467 0.699171 O\n0.687992 0.541533 0.300829 O\n0.312008 0.853541 0.699171 O\n0.541533 0.687992 0.699171 O\n",
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"formula_full": "La3 Zr1 Ga5 O14",
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"spacegroup": 150
},
{
"id": "mp-1185298",
"created_at": "2022-09-04T14:47:16.173944Z",
"structure_string": "K3 Ce1\n1.0\n-2.990277 2.990277 6.684241\n2.990277 -2.990277 6.684241\n2.990277 2.990277 -6.684241\nK Ce\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Ce\n",
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},
{
"id": "mp-1400415",
"created_at": "2022-09-04T14:47:16.181023Z",
"structure_string": "Ba2 Ti3 O8\n1.0\n3.948523 0.000000 0.000000\n0.000000 3.948523 0.000000\n0.000000 0.000000 11.944754\nBa Ti O\n2 3 8\ndirect\n0.500000 0.500000 0.180381 Ba\n0.500000 0.500000 0.819619 Ba\n0.000000 0.000000 0.333705 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.666295 Ti\n0.000000 0.500000 0.345524 O\n0.500000 0.000000 0.345524 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.173695 O\n0.000000 0.500000 0.654476 O\n0.500000 0.000000 0.654476 O\n0.000000 0.000000 0.826305 O\n0.000000 0.500000 0.000000 O\n",
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"formula_full": "Ba2 Ti3 O8",
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"updated_at": "2021-11-28T01:38:01.133000Z",
"spacegroup": 123
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{
"id": "mp-760513",
"created_at": "2022-09-04T14:47:16.184966Z",
"structure_string": "La2 U1 O6\n1.0\n-1.988140 2.798953 5.759487\n1.988140 -2.798953 5.759487\n1.988140 2.798953 -5.759487\nLa U O\n2 1 6\ndirect\n0.663615 0.663615 0.000000 La\n0.336385 0.336385 0.000000 La\n0.000000 0.000000 0.000000 U\n0.916292 0.149066 0.767227 O\n0.778400 0.500000 0.278400 O\n0.381839 0.149066 0.232773 O\n0.618161 0.850934 0.767227 O\n0.221600 0.500000 0.721600 O\n0.083708 0.850934 0.232773 O\n",
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"density": 7.924975700583816,
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"volume": 128.19950923158027,
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"formula_full": "La2 U1 O6",
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"formula_anonymous": "AB2C6",
"energy": -85.88146226,
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"updated_at": "2021-11-28T01:38:02.489000Z",
"spacegroup": 71
},
{
"id": "mp-766293",
"created_at": "2022-09-04T14:47:16.193929Z",
"structure_string": "Al22 Ag2 O34\n1.0\n2.826115 -4.898924 0.000000\n2.826115 4.898924 0.000000\n0.000000 0.000000 22.792219\nAl Ag O\n22 2 34\ndirect\n0.667083 0.332917 0.394559 Al\n0.667083 0.332917 0.105441 Al\n0.832306 0.167694 0.675510 Al\n0.833135 0.166865 0.524774 Al\n0.832306 0.167694 0.824490 Al\n0.669048 0.835360 0.107747 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.833135 0.166865 0.975226 Al\n0.669048 0.835360 0.392253 Al\n0.835360 0.669048 0.607747 Al\n0.835360 0.669048 0.892253 Al\n0.164640 0.330952 0.107747 Al\n0.164640 0.330952 0.392253 Al\n0.167694 0.832306 0.175510 Al\n0.330952 0.164640 0.892253 Al\n0.330952 0.164640 0.607747 Al\n0.166865 0.833135 0.475226 Al\n0.167694 0.832306 0.324490 Al\n0.166865 0.833135 0.024774 Al\n0.332917 0.667083 0.894559 Al\n0.332917 0.667083 0.605441 Al\n0.742771 0.257229 0.250000 Ag\n0.257229 0.742771 0.750000 Ag\n0.657379 0.342621 0.550160 O\n0.657379 0.342621 0.949840 O\n0.507561 0.005892 0.145796 O\n0.507561 0.005892 0.354204 O\n0.819199 0.180801 0.750000 O\n0.833903 0.166097 0.055507 O\n0.656105 0.814361 0.549511 O\n0.994108 0.492439 0.145796 O\n0.499235 0.500765 0.641410 O\n0.656105 0.814361 0.950489 O\n0.499235 0.500765 0.858590 O\n0.500765 0.499235 0.141410 O\n0.500765 0.499235 0.358590 O\n0.833903 0.166097 0.444493 O\n0.994108 0.492439 0.354204 O\n0.814361 0.656105 0.049511 O\n0.814361 0.656105 0.450489 O\n0.999363 0.000637 0.145404 O\n0.999363 0.000637 0.354596 O\n0.000637 0.999363 0.854596 O\n0.000637 0.999363 0.645404 O\n0.185639 0.343895 0.549511 O\n0.185639 0.343895 0.950489 O\n0.166097 0.833903 0.944493 O\n0.005892 0.507561 0.645796 O\n0.005892 0.507561 0.854204 O\n0.343895 0.185639 0.049511 O\n0.343895 0.185639 0.450489 O\n0.166097 0.833903 0.555507 O\n0.180801 0.819199 0.250000 O\n0.492439 0.994108 0.645796 O\n0.492439 0.994108 0.854204 O\n0.342621 0.657379 0.449840 O\n0.342621 0.657379 0.050160 O\n",
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"formula_full": "Al22 Ag2 O34",
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"spacegroup": 63
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{
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"structure_string": "Mg2 H6 Os1\n1.0\n0.000000 3.340151 3.340151\n3.340151 0.000000 3.340151\n3.340151 3.340151 0.000000\nMg H Os\n2 6 1\ndirect\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n0.746265 0.746265 0.253735 H\n0.253735 0.746265 0.253735 H\n0.746265 0.253735 0.253735 H\n0.253735 0.253735 0.746265 H\n0.746265 0.253735 0.746265 H\n0.253735 0.746265 0.746265 H\n0.000000 0.000000 0.000000 Os\n",
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{
"id": "mp-754989",
"created_at": "2022-09-04T14:47:16.219179Z",
"structure_string": "Er2 Bi6 O12\n1.0\n4.812404 -5.072037 0.000000\n4.812404 5.072037 0.000000\n-0.533275 0.000000 6.971399\nEr Bi O\n2 6 12\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Er\n0.749611 0.930774 0.446598 Bi\n0.446598 0.749611 0.930774 Bi\n0.069226 0.553402 0.250389 Bi\n0.930774 0.446598 0.749611 Bi\n0.553402 0.250389 0.069226 Bi\n0.250389 0.069226 0.553402 Bi\n0.074080 0.928873 0.307657 O\n0.692343 0.925920 0.071127 O\n0.472663 0.809197 0.598481 O\n0.071127 0.692343 0.925920 O\n0.809197 0.598481 0.472663 O\n0.401519 0.527337 0.190803 O\n0.598481 0.472663 0.809197 O\n0.190803 0.401519 0.527337 O\n0.928873 0.307657 0.074080 O\n0.527337 0.190803 0.401519 O\n0.307657 0.074080 0.928873 O\n0.925920 0.071127 0.692343 O\n",
"nsites": 20,
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{
"id": "mp-756252",
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"structure_string": "Li8 Cr6 Co2 O16\n1.0\n4.389936 2.534631 -0.017384\n-1.491647 -0.861372 9.734147\n2.967616 -5.140266 0.000069\nLi Cr Co O\n8 6 2 16\ndirect\n0.999462 0.000297 0.000304 Li\n0.500540 0.499699 0.499693 Li\n0.999478 0.000302 0.499694 Li\n0.500534 0.499698 0.000300 Li\n0.490472 0.000844 0.249995 Li\n0.988508 0.500474 0.749992 Li\n0.009532 0.499155 0.250006 Li\n0.511496 0.999526 0.749998 Li\n0.749981 0.750004 0.250016 Cr\n0.749985 0.250002 0.501155 Cr\n0.750003 0.250006 0.998852 Cr\n0.249989 0.249999 0.749956 Cr\n0.250024 0.750005 0.000572 Cr\n0.249991 0.749993 0.499403 Cr\n0.249994 0.250001 0.250019 Co\n0.750007 0.750001 0.749992 Co\n0.890891 0.141747 0.250020 O\n0.390930 0.642199 0.750011 O\n0.609096 0.358251 0.250002 O\n0.109092 0.857799 0.749985 O\n0.623097 0.363714 0.750022 O\n0.123831 0.863372 0.249994 O\n0.876890 0.136289 0.750019 O\n0.376178 0.636626 0.249997 O\n0.377864 0.135576 0.502194 O\n0.877246 0.634452 0.001771 O\n0.377857 0.135580 0.997807 O\n0.877286 0.634419 0.498163 O\n0.122135 0.364424 0.502190 O\n0.622727 0.865579 0.001845 O\n0.122121 0.364412 0.997803 O\n0.622762 0.865553 0.498229 O\n",
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{
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