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{
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"results": [
{
"id": "mp-1186091",
"created_at": "2022-09-04T14:47:11.480789Z",
"structure_string": "Na3 Zn1\n1.0\n-2.409551 2.409551 5.016157\n2.409551 -2.409551 5.016157\n2.409551 2.409551 -5.016157\nNa Zn\n3 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Zn\n",
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"formula_full": "Na3 Zn1",
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"spacegroup": 139
},
{
"id": "mp-694243",
"created_at": "2022-09-04T14:48:09.860792Z",
"structure_string": "Sb4 Xe2 F28\n1.0\n8.228957 0.000000 0.000000\n-3.204310 -7.867667 0.000000\n0.080843 4.041039 -8.943055\nSb Xe F\n4 2 28\ndirect\n0.205784 0.589248 0.770736 Sb\n0.794216 0.410752 0.229264 Sb\n0.508976 0.417932 0.708431 Sb\n0.491024 0.582068 0.291569 Sb\n0.192335 0.035563 0.258859 Xe\n0.807665 0.964437 0.741141 Xe\n0.122175 0.804685 0.571607 F\n0.877825 0.195315 0.428393 F\n0.410525 0.857266 0.705653 F\n0.589475 0.142734 0.294347 F\n0.345251 0.124969 0.764315 F\n0.654749 0.875031 0.235685 F\n0.648814 0.589102 0.216849 F\n0.351186 0.410898 0.783151 F\n0.651023 0.317992 0.485777 F\n0.348977 0.682008 0.514223 F\n0.364014 0.257829 0.360713 F\n0.635986 0.742171 0.639287 F\n0.682865 0.653363 0.027827 F\n0.317135 0.346637 0.972173 F\n0.350846 0.821356 0.100487 F\n0.649154 0.178644 0.899513 F\n0.975597 0.701847 0.160785 F\n0.024403 0.298153 0.839215 F\n0.921707 0.245799 0.241213 F\n0.078293 0.754201 0.758787 F\n0.355445 0.568480 0.369613 F\n0.644555 0.431520 0.630387 F\n0.004624 0.817206 0.905663 F\n0.995376 0.182794 0.094337 F\n0.957326 0.324021 0.633261 F\n0.042674 0.675979 0.366739 F\n0.719057 0.558601 0.897723 F\n0.280943 0.441399 0.102277 F\n",
"nsites": 34,
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"elements": [
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"density": 3.675518314334496,
"density_atomic": 0.058722191142544754,
"volume": 578.9974682223105,
"volume_molar": 10.255306627407004,
"formula_full": "Sb4 Xe2 F28",
"formula_reduced": "Sb2XeF14",
"formula_anonymous": "AB2C14",
"energy": -41.80119936,
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"updated_at": "2021-11-28T01:38:32.205000Z",
"spacegroup": 2
},
{
"id": "mp-1186094",
"created_at": "2022-09-04T14:41:51.769502Z",
"structure_string": "Na3 Zn1\n1.0\n4.861701 0.000000 0.000000\n0.000000 4.861701 0.000000\n0.000000 0.000000 4.861701\nNa Zn\n3 1\ndirect\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Zn\n",
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"chemical_system": "Na-Zn",
"density": 1.9418403814063174,
"density_atomic": 0.034809297132230174,
"volume": 114.91182900950825,
"volume_molar": 17.30038023210775,
"formula_full": "Na3 Zn1",
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"energy_uncorrected": -4.91752153,
"band_gap": 0.0,
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"total_magnetization": 0.0013824,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.521000Z",
"spacegroup": 221
},
{
"id": "mp-987508",
"created_at": "2022-09-04T14:39:28.337045Z",
"structure_string": "Cs1 Er6 C1 I12\n1.0\n6.528382 0.000000 0.000000\n0.000000 9.232526 0.000000\n0.000000 -4.616263 7.995602\nCs Er C I\n1 6 1 12\ndirect\n0.500000 0.500000 0.500000 Cs\n0.028851 0.734893 0.911875 Er\n0.911875 0.971149 0.265107 Er\n0.734893 0.911875 0.971149 Er\n0.971149 0.265107 0.088125 Er\n0.088125 0.028851 0.734893 Er\n0.265107 0.088125 0.028851 Er\n0.000000 0.000000 0.000000 C\n0.580432 0.855347 0.281222 I\n0.281222 0.419568 0.144653 I\n0.144653 0.718778 0.580432 I\n0.419568 0.144653 0.718778 I\n0.718778 0.580432 0.855347 I\n0.855347 0.281222 0.419568 I\n0.788442 0.931320 0.639956 I\n0.068680 0.360044 0.788442 I\n0.639956 0.211558 0.068680 I\n0.211558 0.068680 0.360044 I\n0.931320 0.639956 0.211558 I\n0.360044 0.788442 0.931320 I\n",
"nsites": 20,
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"elements": [
"Cs",
"Er",
"C",
"I"
],
"chemical_system": "C-Cs-Er-I",
"density": 9.20446103651657,
"density_atomic": 0.0415004427161325,
"volume": 481.9225697615362,
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"formula_full": "Cs1 Er6 C1 I12",
"formula_reduced": "CsEr6CI12",
"formula_anonymous": "ABC6D12",
"energy": -24.57328724,
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"updated_at": "2021-11-28T01:34:26.241000Z",
"spacegroup": 2
},
{
"id": "mp-12541",
"created_at": "2022-09-04T14:40:00.360514Z",
"structure_string": "Ca16 Hg36\n1.0\n11.125389 0.000000 0.000000\n0.000000 11.125389 0.000000\n0.000000 0.000000 11.125389\nCa Hg\n16 36\ndirect\n0.808588 0.463826 0.191412 Ca\n0.463826 0.191412 0.808588 Ca\n0.536174 0.808588 0.808588 Ca\n0.865824 0.134176 0.865824 Ca\n0.191412 0.808588 0.463826 Ca\n0.134176 0.865824 0.865824 Ca\n0.808588 0.191412 0.463826 Ca\n0.536174 0.191412 0.191412 Ca\n0.191412 0.536174 0.191412 Ca\n0.134176 0.134176 0.134176 Ca\n0.191412 0.191412 0.536174 Ca\n0.808588 0.808588 0.536174 Ca\n0.808588 0.536174 0.808588 Ca\n0.191412 0.463826 0.808588 Ca\n0.463826 0.808588 0.191412 Ca\n0.865824 0.865824 0.134176 Ca\n0.840479 0.840479 0.840479 Hg\n0.000000 0.000000 0.361799 Hg\n0.323897 0.975029 0.676103 Hg\n0.323897 0.024971 0.323897 Hg\n0.840479 0.159521 0.159521 Hg\n0.604932 0.604932 0.604932 Hg\n0.638201 0.000000 0.000000 Hg\n0.604932 0.395068 0.395068 Hg\n0.676103 0.676103 0.024971 Hg\n0.159521 0.840479 0.159521 Hg\n0.500000 0.500000 0.852351 Hg\n0.315798 0.684202 0.684202 Hg\n0.684202 0.315798 0.684202 Hg\n0.500000 0.147649 0.500000 Hg\n0.975029 0.676103 0.323897 Hg\n0.000000 0.000000 0.638201 Hg\n0.315798 0.315798 0.315798 Hg\n0.024971 0.323897 0.323897 Hg\n0.395068 0.395068 0.604932 Hg\n0.323897 0.676103 0.975029 Hg\n0.500000 0.500000 0.147649 Hg\n0.684202 0.684202 0.315798 Hg\n0.676103 0.323897 0.975029 Hg\n0.500000 0.852351 0.500000 Hg\n0.159521 0.159521 0.840479 Hg\n0.000000 0.361799 0.000000 Hg\n0.975029 0.323897 0.676103 Hg\n0.147649 0.500000 0.500000 Hg\n0.395068 0.604932 0.395068 Hg\n0.676103 0.975029 0.323897 Hg\n0.676103 0.024971 0.676103 Hg\n0.852351 0.500000 0.500000 Hg\n0.000000 0.638201 0.000000 Hg\n0.024971 0.676103 0.676103 Hg\n0.323897 0.323897 0.024971 Hg\n0.361799 0.000000 0.000000 Hg\n",
"nsites": 52,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Ca-Hg",
"density": 9.481203712926957,
"density_atomic": 0.037762238293616995,
"volume": 1377.0370176597723,
"volume_molar": 15.947520677072607,
"formula_full": "Ca16 Hg36",
"formula_reduced": "Ca4Hg9",
"formula_anonymous": "A4B9",
"energy": -63.85923688999999,
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"updated_at": "2021-11-28T01:34:44.912000Z",
"spacegroup": 215
},
{
"id": "mp-974748",
"created_at": "2022-09-04T14:42:52.784329Z",
"structure_string": "Rb3 Tm1\n1.0\n0.000000 5.091636 5.091636\n5.091636 0.000000 5.091636\n5.091636 5.091636 0.000000\nRb Tm\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Tm\n",
"nsites": 4,
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"elements": [
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"Tm"
],
"chemical_system": "Rb-Tm",
"density": 2.675351457445288,
"density_atomic": 0.01515158094274749,
"volume": 263.9988536585454,
"volume_molar": 39.74595643026004,
"formula_full": "Rb3 Tm1",
"formula_reduced": "Rb3Tm",
"formula_anonymous": "AB3",
"energy": -4.9115126,
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"updated_at": "2021-11-28T01:35:52.960000Z",
"spacegroup": 225
},
{
"id": "mp-1096151",
"created_at": "2022-09-04T14:45:58.259047Z",
"structure_string": "Ca2 Zn1 Ge1\n1.0\n-6.037976 6.055190 8.543541\n6.037976 -6.055190 8.543541\n6.037976 6.055190 -8.543541\nCa Zn Ge\n2 1 1\ndirect\n0.000000 0.267671 0.267671 Ca\n0.000000 0.732329 0.732329 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ge\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ca-Ge-Zn",
"density": 0.2899991591431639,
"density_atomic": 0.0032014220705213862,
"volume": 1249.444750453837,
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"formula_full": "Ca2 Zn1 Ge1",
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"updated_at": "2021-11-28T01:37:09.823000Z",
"spacegroup": 71
},
{
"id": "mp-1219283",
"created_at": "2022-09-04T14:40:17.497174Z",
"structure_string": "Sr12 Cd72\n1.0\n-8.059331 8.093859 8.147473\n8.059331 -8.093859 8.147473\n8.059331 8.093859 -8.147473\nSr Cd\n12 72\ndirect\n0.812727 0.517299 0.704572 Sr\n0.187273 0.482701 0.295428 Sr\n0.187273 0.891845 0.704572 Sr\n0.812727 0.108155 0.295428 Sr\n0.112897 0.301516 0.811382 Sr\n0.887103 0.698484 0.188618 Sr\n0.490134 0.301516 0.188618 Sr\n0.509866 0.698484 0.811382 Sr\n0.299551 0.186498 0.486049 Sr\n0.700449 0.813502 0.513951 Sr\n0.299551 0.813502 0.113053 Sr\n0.700449 0.186498 0.886947 Sr\n0.000042 0.677554 0.002345 Cd\n0.324791 0.322446 0.322488 Cd\n0.999958 0.002303 0.677512 Cd\n0.675209 0.997697 0.997655 Cd\n0.999958 0.322446 0.997655 Cd\n0.675209 0.677554 0.677512 Cd\n0.000042 0.997697 0.322488 Cd\n0.324791 0.002303 0.002345 Cd\n0.738085 0.641794 0.903709 Cd\n0.261915 0.358206 0.096291 Cd\n0.261915 0.165624 0.903709 Cd\n0.738085 0.834376 0.096291 Cd\n0.854649 0.093764 0.760885 Cd\n0.145351 0.906236 0.239115 Cd\n0.332879 0.093764 0.239115 Cd\n0.667121 0.906236 0.760885 Cd\n0.096140 0.244463 0.340603 Cd\n0.903860 0.755537 0.659397 Cd\n0.096140 0.755537 0.851677 Cd\n0.903860 0.244463 0.148323 Cd\n0.595972 0.251254 0.655282 Cd\n0.404028 0.748746 0.344718 Cd\n0.404028 0.059310 0.655282 Cd\n0.595972 0.940690 0.344718 Cd\n0.942485 0.346449 0.596036 Cd\n0.057515 0.653551 0.403964 Cd\n0.750413 0.346449 0.403964 Cd\n0.249587 0.653551 0.596036 Cd\n0.344017 0.403054 0.747071 Cd\n0.655983 0.596946 0.252929 Cd\n0.344017 0.596946 0.940962 Cd\n0.655983 0.403054 0.059038 Cd\n0.587645 0.587645 0.000000 Cd\n0.412355 0.412355 0.000000 Cd\n0.592989 0.000000 0.592989 Cd\n0.407011 0.000000 0.407011 Cd\n0.000000 0.406415 0.406415 Cd\n0.000000 0.593585 0.593585 Cd\n0.777264 0.455016 0.919444 Cd\n0.464428 0.544984 0.322248 Cd\n0.222736 0.142180 0.677752 Cd\n0.535572 0.857820 0.080556 Cd\n0.858810 0.081351 0.540407 Cd\n0.141190 0.681597 0.222541 Cd\n0.540944 0.318403 0.459593 Cd\n0.459056 0.918649 0.777459 Cd\n0.316735 0.458832 0.542038 Cd\n0.916794 0.774697 0.457962 Cd\n0.083206 0.541168 0.857903 Cd\n0.683265 0.225303 0.142097 Cd\n0.222736 0.544984 0.080556 Cd\n0.535572 0.455016 0.677752 Cd\n0.777264 0.857820 0.322248 Cd\n0.464428 0.142180 0.919444 Cd\n0.141190 0.918649 0.459593 Cd\n0.858810 0.318403 0.777459 Cd\n0.459056 0.681597 0.540407 Cd\n0.540944 0.081351 0.222541 Cd\n0.683265 0.541168 0.457962 Cd\n0.083206 0.225303 0.542038 Cd\n0.916794 0.458832 0.142097 Cd\n0.316735 0.774697 0.857903 Cd\n0.500000 0.313139 0.813139 Cd\n0.500000 0.686861 0.186861 Cd\n0.691713 0.191713 0.500000 Cd\n0.308287 0.808287 0.500000 Cd\n0.187312 0.500000 0.687312 Cd\n0.812688 0.500000 0.312688 Cd\n0.913013 0.821888 0.908875 Cd\n0.086987 0.178112 0.091125 Cd\n0.086987 0.995862 0.908875 Cd\n0.913013 0.004138 0.091125 Cd\n",
"nsites": 84,
"nelements": 2,
"elements": [
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"Cd"
],
"chemical_system": "Cd-Sr",
"density": 7.143265273565781,
"density_atomic": 0.03951315768142878,
"volume": 2125.874137350457,
"volume_molar": 15.240849158533369,
"formula_full": "Sr12 Cd72",
"formula_reduced": "SrCd6",
"formula_anonymous": "AB6",
"energy": -102.99380351,
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"updated_at": "2021-11-28T01:34:59.061000Z",
"spacegroup": 71
},
{
"id": "mp-1096691",
"created_at": "2022-09-04T14:40:35.164309Z",
"structure_string": "Sr2 Tl1 Pb1\n1.0\n-6.598010 6.922155 9.791845\n6.598010 -6.922155 9.791845\n6.598010 6.922155 -9.791845\nSr Tl Pb\n2 1 1\ndirect\n0.000000 0.251413 0.251413 Sr\n0.000000 0.748587 0.748587 Sr\n0.000000 0.000000 0.000000 Tl\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Pb-Sr-Tl",
"density": 0.5447254120781533,
"density_atomic": 0.0022360483015703594,
"volume": 1788.8701228818854,
"volume_molar": 269.32069203383026,
"formula_full": "Sr2 Tl1 Pb1",
"formula_reduced": "Sr2TlPb",
"formula_anonymous": "ABC2",
"energy": -4.89380767,
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"updated_at": "2021-11-28T01:35:03.422000Z",
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},
{
"id": "mp-1097358",
"created_at": "2022-09-04T14:40:40.693068Z",
"structure_string": "Mg1 Zn2 Pd1\n1.0\n-5.295738 5.593849 7.899852\n5.295738 -5.593849 7.899852\n5.295738 5.593849 -7.899852\nMg Zn Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.271258 0.271258 Zn\n0.000000 0.728742 0.728742 Zn\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mg-Pd-Zn",
"density": 0.46395517405662096,
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"volume": 936.0869182649996,
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"formula_full": "Mg1 Zn2 Pd1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:06.907000Z",
"spacegroup": 71
},
{
"id": "mp-680604",
"created_at": "2022-09-04T14:48:21.739879Z",
"structure_string": "Yb12 Cd72\n1.0\n-7.908410 7.908410 7.908410\n7.908410 -7.908410 7.908410\n7.908410 7.908410 -7.908410\nYb Cd\n12 72\ndirect\n0.298386 0.113243 0.810516 Yb\n0.302727 0.487870 0.189484 Yb\n0.185143 0.697273 0.886757 Yb\n0.697273 0.886757 0.185143 Yb\n0.814857 0.701614 0.512130 Yb\n0.886757 0.185143 0.697273 Yb\n0.487870 0.189484 0.302727 Yb\n0.512130 0.814857 0.701614 Yb\n0.189484 0.302727 0.487870 Yb\n0.701614 0.512130 0.814857 Yb\n0.810516 0.298386 0.113243 Yb\n0.113243 0.810516 0.298386 Yb\n0.237944 0.906084 0.145419 Cd\n0.000000 0.000000 0.313718 Cd\n0.539579 0.086841 0.853082 Cd\n0.405175 0.000000 0.405175 Cd\n0.348807 0.749838 0.407872 Cd\n0.133362 0.133362 0.133362 Cd\n0.331860 0.239335 0.093916 Cd\n0.086841 0.853082 0.539579 Cd\n0.906084 0.145419 0.237944 Cd\n0.191258 0.691258 0.500000 Cd\n0.680648 0.459631 0.544364 Cd\n0.350521 0.350521 0.350521 Cd\n0.452738 0.766240 0.913159 Cd\n0.668140 0.762056 0.907475 Cd\n0.313718 0.000000 0.000000 Cd\n0.778983 0.319352 0.863716 Cd\n0.221017 0.084733 0.540369 Cd\n0.313502 0.547262 0.460421 Cd\n0.319352 0.863716 0.778983 Cd\n0.059065 0.401031 0.651193 Cd\n0.145419 0.237944 0.906084 Cd\n0.691258 0.500000 0.191258 Cd\n0.940935 0.592128 0.341966 Cd\n0.239335 0.093916 0.331860 Cd\n0.308742 0.500000 0.808742 Cd\n0.907475 0.668140 0.762056 Cd\n0.093916 0.331860 0.239335 Cd\n0.000000 0.313718 0.000000 Cd\n0.808742 0.308742 0.500000 Cd\n0.760665 0.092525 0.854581 Cd\n0.762056 0.907475 0.668140 Cd\n0.594825 0.594825 0.000000 Cd\n0.766240 0.913159 0.452738 Cd\n0.863716 0.778983 0.319352 Cd\n0.547262 0.460421 0.313502 Cd\n0.455636 0.915267 0.136284 Cd\n0.000000 0.649479 0.000000 Cd\n0.000000 0.000000 0.649479 Cd\n0.686498 0.146918 0.233760 Cd\n0.540369 0.221017 0.084733 Cd\n0.459631 0.544364 0.680648 Cd\n0.460421 0.313502 0.547262 Cd\n0.592128 0.341966 0.940935 Cd\n0.146918 0.233760 0.686498 Cd\n0.500000 0.191258 0.691258 Cd\n0.092525 0.854581 0.760665 Cd\n0.407872 0.348807 0.749838 Cd\n0.250162 0.598969 0.658034 Cd\n0.405175 0.405175 0.000000 Cd\n0.233760 0.686498 0.146918 Cd\n0.854581 0.760665 0.092525 Cd\n0.000000 0.000000 0.866638 Cd\n0.500000 0.808742 0.308742 Cd\n0.915267 0.136284 0.455636 Cd\n0.866638 0.000000 0.000000 Cd\n0.658034 0.250162 0.598969 Cd\n0.401031 0.651193 0.059065 Cd\n0.651193 0.059065 0.401031 Cd\n0.000000 0.405175 0.405175 Cd\n0.594825 0.000000 0.594825 Cd\n0.749838 0.407872 0.348807 Cd\n0.136284 0.455636 0.915267 Cd\n0.084733 0.540369 0.221017 Cd\n0.649479 0.000000 0.000000 Cd\n0.000000 0.866638 0.000000 Cd\n0.913159 0.452738 0.766240 Cd\n0.686282 0.686282 0.686282 Cd\n0.544364 0.680648 0.459631 Cd\n0.000000 0.594825 0.594825 Cd\n0.598969 0.658034 0.250162 Cd\n0.341966 0.940935 0.592128 Cd\n0.853082 0.539579 0.086841 Cd\n",
"nsites": 84,
"nelements": 2,
"elements": [
"Yb",
"Cd"
],
"chemical_system": "Cd-Yb",
"density": 8.535826990041079,
"density_atomic": 0.042457240607569766,
"volume": 1978.4611246031734,
"volume_molar": 14.184013548271679,
"formula_full": "Yb12 Cd72",
"formula_reduced": "YbCd6",
"formula_anonymous": "AB6",
"energy": -102.66256461999998,
"energy_per_atom": -1.2221733883333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -102.66256461999998,
"band_gap": 0.0,
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"total_magnetization": 0.5014734,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:52.334000Z",
"spacegroup": 197
},
{
"id": "mp-1186877",
"created_at": "2022-09-04T14:40:14.756227Z",
"structure_string": "Rb3 Tm1\n1.0\n6.414985 0.000000 0.000000\n0.000000 6.414985 0.000000\n0.000000 0.000000 6.414985\nRb Tm\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Tm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Tm"
],
"chemical_system": "Rb-Tm",
"density": 2.6754445119309835,
"density_atomic": 0.015152107947365214,
"volume": 263.98967152920505,
"volume_molar": 39.74457402837593,
"formula_full": "Rb3 Tm1",
"formula_reduced": "Rb3Tm",
"formula_anonymous": "AB3",
"energy": -4.88620849,
"energy_per_atom": -1.2215521225,
"energy_above_hull": null,
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"decomposes_to": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:58.361000Z",
"spacegroup": 221
}
]
}