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{
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"results": [
{
"id": "mp-1094400",
"created_at": "2022-09-04T14:48:03.503671Z",
"structure_string": "Mg6 Ti6\n1.0\n4.866373 0.000000 0.000000\n0.000000 5.243211 0.000000\n0.000000 0.000000 9.174152\nMg Ti\n6 6\ndirect\n0.000000 0.998749 0.911789 Mg\n0.000000 0.007321 0.583919 Mg\n0.500000 0.334530 0.908752 Mg\n0.000000 0.507321 0.416081 Mg\n0.000000 0.498749 0.088211 Mg\n0.500000 0.834530 0.091248 Mg\n0.000000 0.012996 0.264352 Ti\n0.500000 0.331427 0.572827 Ti\n0.500000 0.315036 0.267008 Ti\n0.000000 0.512996 0.735648 Ti\n0.500000 0.815036 0.732992 Ti\n0.500000 0.831427 0.427173 Ti\n",
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{
"id": "mp-1042498",
"created_at": "2022-09-04T14:48:04.565458Z",
"structure_string": "Co8 Te16 O56\n1.0\n15.664691 0.000000 0.000000\n0.000000 7.034666 0.000000\n0.000000 2.685547 11.581590\nCo Te O\n8 16 56\ndirect\n0.661409 0.362541 0.082202 Co\n0.161409 0.637459 0.417798 Co\n0.338591 0.637459 0.917798 Co\n0.838591 0.362541 0.582202 Co\n0.759653 0.005285 0.254152 Co\n0.259653 0.994715 0.245848 Co\n0.240347 0.994715 0.745848 Co\n0.740347 0.005285 0.754152 Co\n0.861551 0.149253 0.977468 Te\n0.006731 0.581309 0.696390 Te\n0.493269 0.581309 0.196390 Te\n0.993269 0.418691 0.303610 Te\n0.706077 0.476577 0.803901 Te\n0.206077 0.523423 0.696099 Te\n0.293923 0.523423 0.196099 Te\n0.793923 0.476577 0.303901 Te\n0.506731 0.418691 0.803610 Te\n0.138813 0.119645 0.478549 Te\n0.638813 0.880355 0.021451 Te\n0.861187 0.880355 0.521451 Te\n0.361551 0.850747 0.522532 Te\n0.638449 0.149253 0.477468 Te\n0.138449 0.850747 0.022532 Te\n0.361187 0.119645 0.978549 Te\n0.961792 0.270009 0.935706 O\n0.461792 0.729991 0.564294 O\n0.038208 0.729991 0.064294 O\n0.538208 0.270009 0.435706 O\n0.816285 0.974083 0.898947 O\n0.316285 0.025917 0.601053 O\n0.183715 0.025917 0.101053 O\n0.683715 0.974083 0.398947 O\n0.851855 0.034821 0.132328 O\n0.351855 0.965179 0.367672 O\n0.148145 0.965179 0.867672 O\n0.648145 0.034821 0.632328 O\n0.299816 0.347969 0.943413 O\n0.799816 0.652031 0.556587 O\n0.700184 0.652031 0.056587 O\n0.200184 0.347969 0.443413 O\n0.363491 0.988928 0.131142 O\n0.863491 0.011072 0.368858 O\n0.636509 0.011072 0.868858 O\n0.136509 0.988928 0.631142 O\n0.336929 0.948608 0.882556 O\n0.446077 0.630258 0.828489 O\n0.836929 0.051392 0.617444 O\n0.163071 0.948608 0.382556 O\n0.460788 0.270606 0.714155 O\n0.960788 0.729394 0.785845 O\n0.539212 0.729394 0.285845 O\n0.039212 0.270606 0.214155 O\n0.475038 0.217302 0.955183 O\n0.975038 0.782698 0.544817 O\n0.524962 0.782698 0.044817 O\n0.024962 0.217302 0.455183 O\n0.895042 0.527370 0.202465 O\n0.395042 0.472630 0.297535 O\n0.104958 0.472630 0.797535 O\n0.604958 0.527370 0.702465 O\n0.743385 0.307666 0.221252 O\n0.243385 0.692334 0.278748 O\n0.256615 0.692334 0.778748 O\n0.756615 0.307666 0.721252 O\n0.732708 0.348356 0.452501 O\n0.232708 0.651644 0.047499 O\n0.267292 0.651644 0.547499 O\n0.767292 0.348356 0.952501 O\n0.743453 0.712920 0.285626 O\n0.243453 0.287080 0.214374 O\n0.256547 0.287080 0.714374 O\n0.756547 0.712920 0.785626 O\n0.889522 0.420927 0.415272 O\n0.389522 0.579073 0.084728 O\n0.110478 0.579073 0.584728 O\n0.610478 0.420927 0.915272 O\n0.053923 0.630258 0.328489 O\n0.553923 0.369742 0.171511 O\n0.946077 0.369742 0.671511 O\n0.663071 0.051392 0.117444 O\n",
"nsites": 80,
"nelements": 3,
"elements": [
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"Te",
"O"
],
"chemical_system": "Co-O-Te",
"density": 4.43554172584471,
"density_atomic": 0.06268396880414365,
"volume": 1276.2433765156188,
"volume_molar": 9.607146571743419,
"formula_full": "Co8 Te16 O56",
"formula_reduced": "CoTe2O7",
"formula_anonymous": "AB2C7",
"energy": -469.50602992,
"energy_per_atom": -5.868825374,
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"updated_at": "2021-11-28T01:38:25.550000Z",
"spacegroup": 14
},
{
"id": "mp-1193246",
"created_at": "2022-09-04T14:48:02.688977Z",
"structure_string": "V4 Cd2 O20\n1.0\n2.797449 0.000000 -6.405021\n6.747053 5.158112 0.000000\n6.747053 -5.158112 0.000000\nV Cd O\n4 2 20\ndirect\n0.540921 0.390024 0.323540 V\n0.040921 0.323540 0.390024 V\n0.942925 0.113905 0.176152 V\n0.442925 0.176152 0.113905 V\n0.746985 0.748472 0.252277 Cd\n0.246985 0.252277 0.748472 Cd\n0.569325 0.582938 0.223791 O\n0.069325 0.223791 0.582938 O\n0.913945 0.529353 0.400520 O\n0.413945 0.400520 0.529353 O\n0.668122 0.230819 0.154039 O\n0.168122 0.154039 0.230819 O\n0.812547 0.266491 0.354971 O\n0.312547 0.354971 0.266491 O\n0.564432 0.967893 0.115743 O\n0.064432 0.115743 0.967893 O\n0.930943 0.914946 0.266311 O\n0.430943 0.266311 0.914946 O\n0.107263 0.692754 0.964700 O\n0.607263 0.964700 0.692754 O\n0.787048 0.936017 0.704214 O\n0.287048 0.704214 0.936017 O\n0.397409 0.783965 0.534485 O\n0.897409 0.534485 0.783965 O\n0.720936 0.544078 0.776003 O\n0.220936 0.776003 0.544078 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"V",
"Cd",
"O"
],
"chemical_system": "Cd-O-V",
"density": 2.788236148486211,
"density_atomic": 0.05832005229486105,
"volume": 445.81578679913196,
"volume_molar": 10.326020850517397,
"formula_full": "V4 Cd2 O20",
"formula_reduced": "V2CdO10",
"formula_anonymous": "AB2C10",
"energy": -169.90204780000002,
"energy_per_atom": -6.534694146153847,
"energy_above_hull": null,
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"band_gap": 1.533,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.459000Z",
"spacegroup": 9
},
{
"id": "mp-1233874",
"created_at": "2022-09-04T14:48:02.783002Z",
"structure_string": "Mg1 Mn6 Nb4 O18\n1.0\n5.332338 -0.025585 -0.435356\n-2.680281 4.856805 0.104330\n-1.183161 -0.361564 15.211005\nMg Mn Nb O\n1 6 4 18\ndirect\n0.757037 0.708744 0.450823 Mg\n0.627390 0.327889 0.685481 Mn\n0.611826 0.283163 0.978491 Mn\n0.561497 0.107987 0.481818 Mn\n0.226240 0.627399 0.561597 Mn\n0.297867 0.630076 0.005038 Mn\n0.692944 0.362914 0.178363 Mn\n0.883849 0.931398 0.869736 Nb\n0.024196 0.978561 0.134896 Nb\n0.973617 0.002364 0.668931 Nb\n0.097392 0.105366 0.330067 Nb\n0.355352 0.304117 0.085343 O\n0.596763 0.635843 0.920238 O\n0.014734 0.305987 0.237536 O\n0.386056 0.110349 0.235976 O\n0.963651 0.634118 0.085795 O\n0.661279 0.744994 0.568246 O\n0.747950 0.056704 0.754744 O\n0.942691 0.250420 0.930411 O\n0.143833 0.784014 0.435490 O\n0.293318 0.021452 0.607219 O\n0.319630 0.307540 0.735867 O\n0.874156 0.304814 0.600374 O\n0.867122 0.767815 0.241363 O\n0.230544 0.931532 0.921655 O\n0.688899 0.001166 0.081284 O\n0.811800 0.055781 0.398362 O\n0.444324 0.359981 0.404723 O\n0.912378 0.699175 0.745672 O\n",
"nsites": 29,
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"elements": [
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"Mn",
"Nb",
"O"
],
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"density": 4.313551290440259,
"density_atomic": 0.07432579276380878,
"volume": 390.1741094394472,
"volume_molar": 8.102356579144814,
"formula_full": "Mg1 Mn6 Nb4 O18",
"formula_reduced": "MgMn6Nb4O18",
"formula_anonymous": "AB4C6D18",
"energy": -257.89450569,
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"updated_at": "2021-11-28T01:38:23.172000Z",
"spacegroup": 1
},
{
"id": "mp-1096230",
"created_at": "2022-09-04T14:48:02.805375Z",
"structure_string": "Mg2 Hg1 Bi1\n1.0\n-5.494396 6.098573 8.618872\n5.494396 -6.098573 8.618872\n5.494396 6.098573 -8.618872\nMg Hg Bi\n2 1 1\ndirect\n0.000000 0.250068 0.250068 Mg\n0.000000 0.749932 0.749932 Mg\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"Bi"
],
"chemical_system": "Bi-Hg-Mg",
"density": 0.6586079946456661,
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"volume": 1155.2037933577506,
"volume_molar": 173.91999625215814,
"formula_full": "Mg2 Hg1 Bi1",
"formula_reduced": "Mg2HgBi",
"formula_anonymous": "ABC2",
"energy": -3.81743606,
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"updated_at": "2021-11-28T01:38:23.793000Z",
"spacegroup": 71
},
{
"id": "mp-1038444",
"created_at": "2022-09-04T14:48:02.819301Z",
"structure_string": "Hf1 Mg30 Ga1 O32\n1.0\n8.620108 0.000000 0.000000\n0.000000 8.620108 0.000000\n0.000000 0.000000 8.652930\nHf Mg Ga O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Hf\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.256956 0.243318 Mg\n0.000000 0.256956 0.756682 Mg\n0.000000 0.743044 0.243318 Mg\n0.000000 0.743044 0.756682 Mg\n0.500000 0.250945 0.248567 Mg\n0.500000 0.250945 0.751433 Mg\n0.500000 0.749055 0.248567 Mg\n0.500000 0.749055 0.751433 Mg\n0.256956 0.000000 0.243318 Mg\n0.256956 0.000000 0.756682 Mg\n0.250945 0.500000 0.248567 Mg\n0.250945 0.500000 0.751433 Mg\n0.743044 0.000000 0.243318 Mg\n0.743044 0.000000 0.756682 Mg\n0.749055 0.500000 0.248567 Mg\n0.749055 0.500000 0.751433 Mg\n0.250947 0.250947 0.000000 Mg\n0.254790 0.254790 0.500000 Mg\n0.250947 0.749053 0.000000 Mg\n0.254790 0.745210 0.500000 Mg\n0.749053 0.250947 0.000000 Mg\n0.745210 0.254790 0.500000 Mg\n0.749053 0.749053 0.000000 Mg\n0.745210 0.745210 0.500000 Mg\n0.000000 0.000000 0.000000 Ga\n0.271828 0.000000 0.000000 O\n0.252160 0.000000 0.500000 O\n0.252820 0.500000 0.000000 O\n0.250429 0.500000 0.500000 O\n0.728172 0.000000 0.000000 O\n0.747840 0.000000 0.500000 O\n0.747180 0.500000 0.000000 O\n0.749571 0.500000 0.500000 O\n0.248816 0.248816 0.250771 O\n0.248816 0.248816 0.749229 O\n0.248816 0.751184 0.250771 O\n0.248816 0.751184 0.749229 O\n0.751184 0.248816 0.250771 O\n0.751184 0.248816 0.749229 O\n0.751184 0.751184 0.250771 O\n0.751184 0.751184 0.749229 O\n0.000000 0.000000 0.267016 O\n0.000000 0.000000 0.732984 O\n0.000000 0.500000 0.253879 O\n0.000000 0.500000 0.746121 O\n0.500000 0.000000 0.253879 O\n0.500000 0.000000 0.746121 O\n0.500000 0.500000 0.251198 O\n0.500000 0.500000 0.748802 O\n0.000000 0.271828 0.000000 O\n0.000000 0.252160 0.500000 O\n0.000000 0.728172 0.000000 O\n0.000000 0.747840 0.500000 O\n0.500000 0.252820 0.000000 O\n0.500000 0.250429 0.500000 O\n0.500000 0.747180 0.000000 O\n0.500000 0.749571 0.500000 O\n",
"nsites": 64,
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"elements": [
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],
"chemical_system": "Ga-Hf-Mg-O",
"density": 3.846408934380122,
"density_atomic": 0.09953856362830847,
"volume": 642.9668830563534,
"volume_molar": 6.0500579277872175,
"formula_full": "Hf1 Mg30 Ga1 O32",
"formula_reduced": "HfMg30GaO32",
"formula_anonymous": "ABC30D32",
"energy": -407.6944144,
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"updated_at": "2021-11-28T01:38:18.484000Z",
"spacegroup": 123
},
{
"id": "mp-1186461",
"created_at": "2022-09-04T14:48:08.984167Z",
"structure_string": "Pm2 Ga1 Hg1\n1.0\n0.000000 3.761354 3.761354\n3.761354 0.000000 3.761354\n3.761354 3.761354 0.000000\nPm Ga Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ga-Hg-Pm",
"density": 8.742128253414329,
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"volume": 106.42964722697357,
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"formula_full": "Pm2 Ga1 Hg1",
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"formula_anonymous": "ABC2",
"energy": -14.84777779,
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"spacegroup": 225
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{
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