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{
"id": "jvasp-109373",
"created_at": "2022-09-04T14:38:17.835421Z",
"updated_at": "2022-09-04T14:38:17.835446Z",
"structure_string": "Pr2 Ga3 Cu1\n1.0\n4.402749 -0.000000 0.000000\n-2.201375 3.812893 0.000000\n-0.000000 -0.000000 7.929595\nPr Ga Cu\n2 3 1\ndirect\n0.333334 0.666666 0.734492 Pr\n0.333334 0.666666 0.263707 Pr\n0.666667 0.333333 0.489675 Ga\n0.666667 0.333333 0.033432 Ga\n0.000000 0.000000 0.965863 Ga\n0.000000 0.000000 0.512829 Cu\n",
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{
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"updated_at": "2022-09-04T14:38:12.759674Z",
"structure_string": "Hg8 P12 Br4\n1.0\n7.977403 0.000000 0.000000\n-0.000000 8.123475 0.000000\n0.000000 0.000000 9.002102\nHg P Br\n8 12 4\ndirect\n0.601504 0.714055 0.172136 Hg\n0.398495 0.214054 0.327864 Hg\n0.898495 0.285946 0.172136 Hg\n0.398495 0.285946 0.827864 Hg\n0.101505 0.714055 0.827864 Hg\n0.601504 0.785946 0.672136 Hg\n0.898495 0.214054 0.672136 Hg\n0.101505 0.785946 0.327864 Hg\n0.750000 0.500000 0.321816 P\n0.078399 0.113482 0.011869 P\n0.250000 0.500000 0.678183 P\n0.250000 0.000000 0.178184 P\n0.078399 0.386518 0.511869 P\n0.421601 0.613482 0.511869 P\n0.921600 0.886519 0.988131 P\n0.421601 0.886519 0.011869 P\n0.921600 0.613482 0.488131 P\n0.578399 0.386518 0.488131 P\n0.750000 0.000000 0.821816 P\n0.578399 0.113482 0.988131 P\n0.250000 0.500000 0.112093 Br\n0.750000 0.500000 0.887907 Br\n0.750000 0.000000 0.387907 Br\n0.250000 0.000000 0.612093 Br\n",
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{
"id": "jvasp-117380",
"created_at": "2022-09-04T14:38:26.367326Z",
"updated_at": "2022-09-04T14:38:26.367343Z",
"structure_string": "Mn8 Cr4 As12\n1.0\n3.453185 -0.000000 0.000000\n0.000000 5.575679 0.009207\n0.000000 -0.007390 18.312552\nMn Cr As\n8 4 12\ndirect\n0.500001 0.002497 0.397315 Mn\n0.500001 0.001756 0.065609 Mn\n-0.000000 0.496547 0.899774 Mn\n-0.000000 0.498863 0.564860 Mn\n-0.000000 0.497596 0.231669 Mn\n-0.000000 0.996555 0.936085 Mn\n-0.000000 0.997932 0.599473 Mn\n-0.000000 0.997183 0.268358 Mn\n0.500001 0.502836 0.101886 Cr\n0.500001 0.003319 0.732507 Cr\n0.500001 0.502779 0.767451 Cr\n0.500001 0.503391 0.433960 Cr\n-0.000000 0.801194 0.472609 As\n0.500001 0.700405 0.973622 As\n0.500001 0.704136 0.638669 As\n0.500001 0.701178 0.305586 As\n0.500001 0.202859 0.861207 As\n0.500001 0.202595 0.526793 As\n0.500001 0.201937 0.194577 As\n-0.000000 0.296207 0.692573 As\n-0.000000 0.296802 0.360123 As\n-0.000000 0.295985 0.028112 As\n-0.000000 0.795245 0.806901 As\n-0.000000 0.800204 0.140280 As\n",
"nsites": 24,
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"density": 7.2835938580351645,
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"formula_full": "Mn8 Cr4 As12",
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{
"id": "jvasp-40566",
"created_at": "2022-09-04T14:38:29.483172Z",
"updated_at": "2022-09-04T14:38:29.483189Z",
"structure_string": "Rb4 Tl2 Au6\n1.0\n5.764156 0.000000 -0.000000\n0.000000 6.853072 0.000000\n0.000000 0.000000 9.120367\nRb Tl Au\n4 2 6\ndirect\n0.250000 0.500000 0.129956 Rb\n0.250000 0.000000 0.369626 Rb\n0.750001 0.000000 0.630374 Rb\n0.750001 0.500000 0.870044 Rb\n0.750001 0.500000 0.433245 Tl\n0.250000 0.500000 0.566756 Tl\n0.000000 0.000000 0.000000 Au\n0.500000 0.000000 0.000000 Au\n0.750001 0.211246 0.217123 Au\n0.750001 0.788754 0.217123 Au\n0.250000 0.211246 0.782877 Au\n0.250000 0.788754 0.782877 Au\n",
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"formula_full": "Rb4 Tl2 Au6",
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{
"id": "jvasp-44138",
"created_at": "2022-09-04T14:38:20.623560Z",
"updated_at": "2022-09-04T14:38:20.623580Z",
"structure_string": "Fe4 O6 F2\n1.0\n-4.527808 0.198758 0.000000\n-0.198058 4.539439 -2.873920\n0.198058 -4.539439 -2.873920\nFe O F\n4 6 2\ndirect\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.820924 0.162376 0.337624 O\n0.694621 0.151581 0.845612 O\n0.694622 0.654388 0.348419 O\n0.305379 0.848419 0.154388 O\n0.305379 0.345612 0.651581 O\n0.179077 0.837624 0.662376 O\n0.781344 0.638615 0.861385 F\n0.218657 0.361385 0.138615 F\n",
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{
"id": "jvasp-9609",
"created_at": "2022-09-04T14:38:12.352196Z",
"updated_at": "2022-09-04T14:38:12.352222Z",
"structure_string": "Na4 Si2 O6\n1.0\n4.842218 -0.000000 0.000000\n-0.000000 5.286294 -3.045706\n0.000000 -0.001681 6.107527\nNa Si O\n4 2 6\ndirect\n0.502070 0.504004 0.331425 Na\n0.502070 0.172578 0.668575 Na\n0.002070 0.495995 0.668575 Na\n0.002070 0.827421 0.331425 Na\n0.539274 0.841060 -0.000001 Si\n0.039274 0.158939 -0.000000 Si\n0.378459 0.086805 -0.000000 O\n0.878459 0.913194 -0.000001 O\n0.482365 0.580142 0.739118 O\n0.982365 0.419858 0.260881 O\n0.482365 0.841023 0.260881 O\n0.982365 0.158976 0.739119 O\n",
"nsites": 12,
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"volume": 156.3119467541057,
"volume_molar": 7.84443788185708,
"formula_full": "Na4 Si2 O6",
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"formula_anonymous": "AB2C3",
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"spacegroup": 36
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{
"id": "jvasp-110224",
"created_at": "2022-09-04T14:38:27.644381Z",
"updated_at": "2022-09-04T14:38:27.644403Z",
"structure_string": "La1 Co2 Ni3\n1.0\n4.968862 0.000000 0.000000\n-2.484431 4.303161 0.000000\n-0.000000 -0.000000 3.984281\nLa Co Ni\n1 2 3\ndirect\n0.000000 0.000000 0.000000 La\n0.666666 0.333333 -0.000000 Co\n0.333333 0.666666 -0.000000 Co\n0.500000 0.500000 0.500000 Ni\n0.500000 -0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n",
"nsites": 6,
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"elements": [
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"volume": 85.19115196986505,
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"formula_full": "La1 Co2 Ni3",
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},
{
"id": "jvasp-108738",
"created_at": "2022-09-04T14:38:27.246341Z",
"updated_at": "2022-09-04T14:38:27.246362Z",
"structure_string": "Sm2 Ga3 Cu1\n1.0\n3.749397 -0.000000 0.000000\n0.000000 4.382718 0.000000\n-0.000000 -0.000000 7.596157\nSm Ga Cu\n2 3 1\ndirect\n-0.000000 0.500000 0.003709 Sm\n0.000000 0.000000 0.497193 Sm\n0.500000 0.000000 0.836312 Ga\n0.500000 0.000000 0.175210 Ga\n0.500000 0.500000 0.657599 Ga\n0.500000 0.500000 0.329977 Cu\n",
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{
"id": "jvasp-99281",
"created_at": "2022-09-04T14:38:13.856848Z",
"updated_at": "2022-09-04T14:38:13.856870Z",
"structure_string": "Rb8 C4 O12\n1.0\n6.038505 0.000000 0.000000\n-0.000000 6.990549 0.000000\n0.000000 0.000000 10.054353\nRb C O\n8 4 12\ndirect\n0.750001 0.763995 0.914330 Rb\n0.250000 0.736006 0.414330 Rb\n0.250000 0.562083 0.749697 Rb\n0.750001 0.263995 0.585669 Rb\n0.750001 0.937917 0.249697 Rb\n0.250000 0.062083 0.750303 Rb\n0.250000 0.236005 0.085669 Rb\n0.750001 0.437917 0.250303 Rb\n0.250000 0.724883 0.082214 C\n0.750001 0.275117 0.917786 C\n0.750001 0.775117 0.582214 C\n0.250000 0.224883 0.417786 C\n0.436342 0.674037 0.137125 O\n0.936342 0.325963 0.862875 O\n0.063659 0.174037 0.362875 O\n0.063659 0.674037 0.137125 O\n0.563659 0.825963 0.637125 O\n0.750001 0.174630 0.026935 O\n0.250000 0.825371 0.973065 O\n0.936342 0.825963 0.637125 O\n0.750001 0.674630 0.473065 O\n0.563659 0.325963 0.862875 O\n0.250000 0.325371 0.526935 O\n0.436342 0.174037 0.362875 O\n",
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{
"id": "jvasp-51670",
"created_at": "2022-09-04T14:38:13.470308Z",
"updated_at": "2022-09-04T14:38:13.470325Z",
"structure_string": "Ba2 H4 O6\n1.0\n0.000000 5.361427 -0.213652\n4.087217 0.000000 0.000000\n0.000000 -1.764657 -6.587841\nBa H O\n2 4 6\ndirect\n0.859012 0.250000 0.722466 Ba\n0.140988 0.750001 0.277534 Ba\n0.623605 0.750001 0.047579 H\n0.376396 0.250000 -0.047580 H\n0.401775 0.750001 0.780025 H\n0.598225 0.250000 0.219974 H\n0.669557 0.750001 0.436365 O\n0.330443 0.250000 0.563634 O\n0.709190 0.750001 0.934956 O\n0.290810 0.250000 0.065043 O\n0.217270 0.750001 0.705801 O\n0.782730 0.250000 0.294199 O\n",
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{
"id": "jvasp-52343",
"created_at": "2022-09-04T14:38:06.853428Z",
"updated_at": "2022-09-04T14:38:06.853450Z",
"structure_string": "Li8 Bi4 O12\n1.0\n5.758876 -0.000000 0.142569\n-2.879438 4.867504 -0.071284\n-1.657001 0.000000 10.138724\nLi Bi O\n8 4 12\ndirect\n0.091487 0.806875 0.505121 Li\n-0.000000 0.500000 0.000000 Li\n0.094780 0.189561 0.250000 Li\n0.500000 0.500000 0.500000 Li\n0.715388 0.806875 0.994879 Li\n0.284612 0.193124 0.005121 Li\n0.905220 0.810438 0.750000 Li\n0.908513 0.193124 0.494879 Li\n0.573058 0.146114 0.750000 Bi\n0.759499 0.518998 0.250000 Bi\n0.240501 0.481001 0.750000 Bi\n0.426942 0.853885 0.250000 Bi\n0.755577 0.221949 0.128937 O\n0.032748 0.837752 0.123904 O\n0.244423 0.778050 0.871063 O\n0.092764 0.509606 0.372085 O\n0.533627 0.778050 0.628937 O\n0.194994 0.162247 0.623904 O\n0.583158 0.490393 0.872085 O\n0.416842 0.509606 0.127916 O\n0.805006 0.837752 0.376096 O\n0.466373 0.221949 0.371063 O\n0.907236 0.490393 0.627915 O\n0.967252 0.162247 0.876096 O\n",
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{
"id": "jvasp-34700",
"created_at": "2022-09-04T14:38:12.174139Z",
"updated_at": "2022-09-04T14:38:12.174167Z",
"structure_string": "Na8 Pt4 O12\n1.0\n5.469389 -0.001368 -0.463668\n-2.793728 4.702054 -0.463668\n-0.021160 -0.037173 10.706085\nNa Pt O\n8 4 12\ndirect\n0.084707 0.915292 0.750000 Na\n0.159231 0.318739 -0.000085 Na\n0.915292 0.084707 0.250000 Na\n0.681260 0.840768 0.500085 Na\n0.840768 0.681260 0.000085 Na\n0.500000 -0.000000 -0.000000 Na\n0.318739 0.159232 0.499915 Na\n-0.000000 0.500000 0.500000 Na\n0.750530 0.249470 0.750000 Pt\n0.417463 0.582537 0.750000 Pt\n0.249469 0.750530 0.250000 Pt\n0.582536 0.417463 0.250000 Pt\n0.048979 0.240178 0.645026 O\n0.311870 0.480275 0.355023 O\n0.590787 0.119525 0.355142 O\n0.480275 0.311870 0.855023 O\n0.688130 0.519724 0.644977 O\n0.119525 0.590787 0.855142 O\n0.880474 0.409213 0.144858 O\n0.759822 0.951020 0.854975 O\n0.409213 0.880474 0.644858 O\n0.951020 0.759822 0.354974 O\n0.240177 0.048979 0.145025 O\n0.519724 0.688129 0.144977 O\n",
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}
]
}