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{
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"results": [
{
"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",
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},
{
"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",
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"elements": [
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"spacegroup": 225
},
{
"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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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:44.912000Z",
"spacegroup": 215
},
{
"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,
"nelements": 4,
"elements": [
"Cs",
"Er",
"C",
"I"
],
"chemical_system": "C-Cs-Er-I",
"density": 9.20446103651657,
"density_atomic": 0.0415004427161325,
"volume": 481.9225697615362,
"volume_molar": 14.511027752624454,
"formula_full": "Cs1 Er6 C1 I12",
"formula_reduced": "CsEr6CI12",
"formula_anonymous": "ABC6D12",
"energy": -24.57328724,
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"total_magnetization": 0.0714136,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.241000Z",
"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",
"nsites": 4,
"nelements": 2,
"elements": [
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"Zn"
],
"chemical_system": "Na-Zn",
"density": 1.9418403814063174,
"density_atomic": 0.034809297132230174,
"volume": 114.91182900950825,
"volume_molar": 17.30038023210775,
"formula_full": "Na3 Zn1",
"formula_reduced": "Na3Zn",
"formula_anonymous": "AB3",
"energy": -4.91752153,
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"updated_at": "2021-11-28T01:35:37.521000Z",
"spacegroup": 221
},
{
"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,
"nelements": 3,
"elements": [
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"Xe",
"F"
],
"chemical_system": "F-Sb-Xe",
"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-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",
"nsites": 4,
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"elements": [
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],
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"density": 1.9154680276758698,
"density_atomic": 0.034336548132946,
"volume": 116.49394646522403,
"volume_molar": 17.53857358253709,
"formula_full": "Na3 Zn1",
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"updated_at": "2021-11-28T01:37:58.845000Z",
"spacegroup": 139
},
{
"id": "mp-1194397",
"created_at": "2022-09-04T14:43:24.503102Z",
"structure_string": "Be2 Zn26\n1.0\n0.000000 6.098973 6.098973\n6.098973 0.000000 6.098973\n6.098973 6.098973 0.000000\nBe Zn\n2 26\ndirect\n0.250000 0.250000 0.250000 Be\n0.750000 0.750000 0.750000 Be\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.802034 0.561251 0.197966 Zn\n0.197966 0.438749 0.802034 Zn\n0.561251 0.802034 0.438749 Zn\n0.438749 0.197966 0.561251 Zn\n0.302034 0.938749 0.697966 Zn\n0.697966 0.061251 0.302034 Zn\n0.938749 0.302034 0.061251 Zn\n0.061251 0.697966 0.938749 Zn\n0.197966 0.802034 0.561251 Zn\n0.802034 0.197966 0.438749 Zn\n0.438749 0.561251 0.802034 Zn\n0.561251 0.438749 0.197966 Zn\n0.697966 0.302034 0.938749 Zn\n0.302034 0.697966 0.061251 Zn\n0.061251 0.938749 0.302034 Zn\n0.938749 0.061251 0.697966 Zn\n0.561251 0.197966 0.802034 Zn\n0.438749 0.802034 0.197966 Zn\n0.802034 0.438749 0.561251 Zn\n0.197966 0.561251 0.438749 Zn\n0.938749 0.697966 0.302034 Zn\n0.061251 0.302034 0.697966 Zn\n0.302034 0.061251 0.938749 Zn\n0.697966 0.938749 0.061251 Zn\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "Be-Zn",
"density": 6.289824465849093,
"density_atomic": 0.06171033491444367,
"volume": 453.73275058091497,
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"formula_full": "Be2 Zn26",
"formula_reduced": "BeZn13",
"formula_anonymous": "AB13",
"energy": -34.47201448,
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"updated_at": "2021-11-28T01:36:14.209000Z",
"spacegroup": 226
},
{
"id": "mp-1093963",
"created_at": "2022-09-04T14:48:24.083077Z",
"structure_string": "Na2 Hg1 Sb1\n1.0\n-6.068814 6.096222 8.622665\n6.068814 -6.096222 8.622665\n6.068814 6.096222 -8.622665\nNa Hg Sb\n2 1 1\ndirect\n0.240799 0.000000 0.240799 Na\n0.759201 0.000000 0.759201 Na\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"elements": [
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"Hg",
"Sb"
],
"chemical_system": "Hg-Na-Sb",
"density": 0.47931336663680835,
"density_atomic": 0.00313468485239465,
"volume": 1276.0453405529165,
"volume_molar": 192.11311642379496,
"formula_full": "Na2 Hg1 Sb1",
"formula_reduced": "Na2HgSb",
"formula_anonymous": "ABC2",
"energy": -4.9271922,
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"updated_at": "2021-11-28T01:39:43.596000Z",
"spacegroup": 71
},
{
"id": "mp-770023",
"created_at": "2022-09-04T14:42:05.254715Z",
"structure_string": "Ag20 Hg30\n1.0\n8.932206 0.000000 0.000000\n-3.033333 8.426501 0.000000\n-0.141173 -0.148128 14.602694\nAg Hg\n20 30\ndirect\n0.004005 0.668697 0.999826 Ag\n0.813385 0.181484 0.825894 Ag\n0.645817 0.640958 0.002216 Ag\n0.357190 0.358162 0.999421 Ag\n0.682961 0.325873 0.675605 Ag\n0.663724 0.991955 0.001791 Ag\n0.171441 0.169435 0.834157 Ag\n0.496164 0.163098 0.504147 Ag\n0.666171 0.669420 0.670642 Ag\n0.855180 0.854352 0.500498 Ag\n0.141332 0.144404 0.498558 Ag\n0.179293 0.821084 0.822702 Ag\n0.327888 0.678346 0.678300 Ag\n0.667450 0.306721 0.320922 Ag\n0.825144 0.182831 0.174338 Ag\n0.165158 0.502350 0.501779 Ag\n0.665408 0.671291 0.332752 Ag\n0.166802 0.165505 0.170421 Ag\n0.318957 0.678019 0.320546 Ag\n0.179169 0.824548 0.176386 Ag\n0.000176 0.230875 0.999223 Hg\n0.791663 0.520915 0.839011 Hg\n0.878478 0.880163 0.880607 Hg\n0.373333 0.073789 0.703914 Hg\n0.982072 0.611683 0.653767 Hg\n0.448762 0.475442 0.816451 Hg\n0.352286 0.718111 0.983394 Hg\n0.825949 0.188110 0.465701 Hg\n0.998047 0.949740 0.683347 Hg\n0.542089 0.878078 0.817989 Hg\n0.114430 0.479979 0.845389 Hg\n0.731574 0.497363 0.497214 Hg\n0.256355 0.014762 0.993009 Hg\n0.383912 0.387683 0.613859 Hg\n0.020546 0.288847 0.659786 Hg\n0.000571 0.679264 0.367308 Hg\n0.673685 0.000927 0.633247 Hg\n0.316872 0.020896 0.338459 Hg\n0.506074 0.749880 0.490184 Hg\n0.380816 0.380832 0.382768 Hg\n0.852407 0.539235 0.180092 Hg\n0.483582 0.113043 0.158596 Hg\n0.923841 0.987239 0.316219 Hg\n0.491873 0.452801 0.182971 Hg\n0.221793 0.854584 0.526409 Hg\n0.685161 0.322641 0.004569 Hg\n0.048614 0.358430 0.317464 Hg\n0.889967 0.883375 0.115189 Hg\n0.545549 0.810057 0.177480 Hg\n0.174800 0.501745 0.132389 Hg\n",
"nsites": 50,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Ag-Hg",
"density": 12.350975691893154,
"density_atomic": 0.045491579127467915,
"volume": 1099.104514703687,
"volume_molar": 13.237924194994187,
"formula_full": "Ag20 Hg30",
"formula_reduced": "Ag2Hg3",
"formula_anonymous": "A2B3",
"energy": -61.64558409000001,
"energy_per_atom": -1.2329116818,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:36.262000Z",
"spacegroup": 1
},
{
"id": "mp-1186850",
"created_at": "2022-09-04T14:41:03.542470Z",
"structure_string": "Rb3 Lu1\n1.0\n6.425565 0.000000 0.000000\n0.000000 6.425565 0.000000\n0.000000 0.000000 6.425565\nRb Lu\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 Lu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Lu"
],
"chemical_system": "Lu-Rb",
"density": 2.700010636316077,
"density_atomic": 0.015077385106638412,
"volume": 265.2979924376172,
"volume_molar": 39.94154634511867,
"formula_full": "Rb3 Lu1",
"formula_reduced": "Rb3Lu",
"formula_anonymous": "AB3",
"energy": -4.93764193,
"energy_per_atom": -1.2344104825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.93764193,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8706416,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.165000Z",
"spacegroup": 221
},
{
"id": "mp-1093798",
"created_at": "2022-09-04T14:40:23.624710Z",
"structure_string": "Mg1 Zr1 Zn2\n1.0\n-5.671327 5.863030 8.168669\n5.671327 -5.863030 8.168669\n5.671327 5.863030 -8.168669\nMg Zr Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zr\n0.000000 0.251637 0.251637 Zn\n0.000000 0.748363 0.748363 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zr",
"Zn"
],
"chemical_system": "Mg-Zn-Zr",
"density": 0.3765115300544824,
"density_atomic": 0.0036816448871463915,
"volume": 1086.4708907600163,
"volume_molar": 163.57201589498504,
"formula_full": "Mg1 Zr1 Zn2",
"formula_reduced": "MgZrZn2",
"formula_anonymous": "ABC2",
"energy": -4.94451163,
"energy_per_atom": -1.2361279075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.94451163,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8112164,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.400000Z",
"spacegroup": 71
}
]
}