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{
"id": "jvasp-52322",
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"structure_string": "Ba2 Ca4 I12\n1.0\n0.000000 7.688241 0.066255\n8.658168 0.000000 0.000000\n0.000000 -7.588680 -11.615176\nBa Ca I\n2 4 12\ndirect\n0.051493 0.363918 0.498325 Ba\n0.051493 0.636083 -0.001675 Ba\n0.263162 0.759141 0.744570 Ca\n0.770630 0.759263 0.252084 Ca\n0.263162 0.240859 0.244570 Ca\n0.770630 0.240737 0.752084 Ca\n0.645865 0.196484 0.498317 I\n0.538224 0.434740 0.185223 I\n0.856644 0.720354 0.498329 I\n0.164447 0.434638 0.811484 I\n0.998165 0.071761 0.315343 I\n0.538224 0.565260 0.685223 I\n0.645865 0.803516 0.998317 I\n0.363998 0.928382 0.181161 I\n0.856643 0.279646 -0.001671 I\n0.164447 0.565362 0.311484 I\n0.363998 0.071618 0.681162 I\n0.998165 0.928239 0.815343 I\n",
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{
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"structure_string": "Ba2 Ca4 I12\n1.0\n0.000000 7.183653 -0.056217\n7.998706 0.000000 0.000000\n0.000000 -5.996697 -13.331781\nBa Ca I\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Ba\n-0.000000 0.500000 0.500000 Ba\n0.661761 0.617332 0.744187 Ca\n0.338238 0.117332 0.755813 Ca\n0.661761 0.882668 0.244187 Ca\n0.338238 0.382668 0.255813 Ca\n0.922230 0.556499 0.251801 I\n0.077769 0.056498 0.248199 I\n0.536419 0.682489 0.400559 I\n0.700548 0.156064 0.406587 I\n0.299452 0.843937 0.593413 I\n0.077769 0.443502 0.748199 I\n0.922230 0.943502 0.751801 I\n0.463580 0.182489 0.099441 I\n0.536419 0.817512 0.900559 I\n0.700547 0.343937 0.906587 I\n0.463580 0.317511 0.599441 I\n0.299452 0.656064 0.093413 I\n",
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{
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"created_at": "2022-09-04T14:36:11.452714Z",
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"structure_string": "Ba4 Cr1 Sb1\n1.0\n-0.000000 5.041288 5.041288\n5.041288 -0.000000 5.041288\n5.041288 5.041288 -0.000000\nBa Cr Sb\n4 1 1\ndirect\n0.120580 0.626474 0.626474 Ba\n0.626474 0.626474 0.626474 Ba\n0.626474 0.120580 0.626474 Ba\n0.626474 0.626474 0.120580 Ba\n0.250000 0.250000 0.250000 Cr\n0.000000 0.000000 0.000000 Sb\n",
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"formula_full": "Ba4 Cr1 Sb1",
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{
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"created_at": "2022-09-04T14:36:06.228135Z",
"updated_at": "2022-09-04T14:36:06.228160Z",
"structure_string": "Ba1 Sn1 Te1\n1.0\n0.000000 4.001130 4.001130\n4.001130 0.000000 4.001130\n4.001130 4.001130 0.000000\nBa Sn Te\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Te\n",
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{
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"created_at": "2022-09-04T14:35:41.636316Z",
"updated_at": "2022-09-04T14:35:41.636340Z",
"structure_string": "Ba4 Hg1 Pb1\n1.0\n-0.000000 5.040771 5.040771\n5.040771 0.000000 5.040771\n5.040771 5.040771 0.000000\nBa Hg Pb\n4 1 1\ndirect\n0.122522 0.625826 0.625826 Ba\n0.625826 0.625826 0.625826 Ba\n0.625826 0.122522 0.625826 Ba\n0.625826 0.625826 0.122522 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Pb\n",
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{
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"created_at": "2022-09-04T14:36:53.127769Z",
"updated_at": "2022-09-04T14:36:53.127791Z",
"structure_string": "Rb2 Tl1 Au1 I6\n1.0\n7.318889 0.000000 4.225562\n2.439630 6.900315 4.225562\n-0.000000 -0.000000 8.451125\nRb Tl Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.499999 Au\n0.740423 0.259577 0.259577 I\n0.259578 0.259577 0.740422 I\n0.259578 0.740422 0.740422 I\n0.259578 0.740422 0.259577 I\n0.740423 0.259577 0.740422 I\n0.740423 0.740422 0.259577 I\n",
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"density_atomic": 0.02342995191282453,
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{
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"created_at": "2022-09-04T14:37:06.194492Z",
"updated_at": "2022-09-04T14:37:06.194514Z",
"structure_string": "Rb2 Sn1 I6\n1.0\n7.066192 0.000000 4.079668\n2.355397 6.662069 4.079668\n0.000000 0.000000 8.159336\nRb Sn I\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750001 Rb\n0.000000 0.000000 0.000000 Sn\n0.748742 0.251258 0.251259 I\n0.748742 0.748742 0.251259 I\n0.251258 0.251258 0.748742 I\n0.748742 0.251258 0.748742 I\n0.251259 0.748742 0.251259 I\n0.251259 0.748742 0.748742 I\n",
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"volume": 384.104484652826,
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"formula_full": "Rb2 Sn1 I6",
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{
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"created_at": "2022-09-04T14:35:44.490331Z",
"updated_at": "2022-09-04T14:35:44.490357Z",
"structure_string": "Ba4 V1 Br1\n1.0\n0.000000 5.039870 5.039870\n5.039870 0.000000 5.039870\n5.039870 5.039870 0.000000\nBa V Br\n4 1 1\ndirect\n0.123626 0.625458 0.625458 Ba\n0.625458 0.625458 0.625458 Ba\n0.625458 0.123626 0.625458 Ba\n0.625458 0.625458 0.123626 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Br\n",
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{
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"created_at": "2022-09-04T14:38:37.614103Z",
"updated_at": "2022-09-04T14:38:37.614131Z",
"structure_string": "K2 Y1 Au1 I6\n1.0\n7.317955 -0.000000 4.225023\n2.439318 6.899434 4.225023\n-0.000000 -0.000000 8.450046\nK Y Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Au\n0.748953 0.251046 0.251047 I\n0.251046 0.251046 0.748954 I\n0.251047 0.748953 0.748954 I\n0.251047 0.748953 0.251046 I\n0.748953 0.251046 0.748954 I\n0.748953 0.748953 0.251046 I\n",
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{
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"created_at": "2022-09-04T14:35:45.860741Z",
"updated_at": "2022-09-04T14:35:45.860769Z",
"structure_string": "Ba1 Na1 Zn1\n1.0\n0.000000 3.999788 3.999788\n3.999788 0.000000 3.999788\n3.999788 3.999788 -0.000000\nBa Na Zn\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Zn\n",
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{
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"created_at": "2022-09-04T14:36:01.840206Z",
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"structure_string": "Ba4 Hg1 Bi1\n1.0\n-0.000000 5.039231 5.039231\n5.039231 0.000000 5.039231\n5.039231 5.039231 -0.000000\nBa Hg Bi\n4 1 1\ndirect\n0.128598 0.623801 0.623801 Ba\n0.623801 0.623801 0.623801 Ba\n0.623801 0.128598 0.623801 Ba\n0.623801 0.623801 0.128598 Ba\n0.000000 0.000000 0.000000 Hg\n0.250000 0.250000 0.250000 Bi\n",
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{
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"structure_string": "K2 Li1 Nd1 I6\n1.0\n7.317237 0.000000 4.224609\n2.439079 6.898758 4.224609\n0.000000 0.000000 8.449218\nK Li Nd I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nd\n0.742582 0.257418 0.257418 I\n0.257418 0.257418 0.742582 I\n0.257418 0.742582 0.742582 I\n0.257418 0.742582 0.257418 I\n0.742582 0.257418 0.742582 I\n0.742582 0.742582 0.257418 I\n",
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