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{
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"results": [
{
"id": "mp-1095976",
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"structure_string": "Mg2 Ga1 Cu1\n1.0\n-5.246919 5.264858 7.174421\n5.246919 -5.264858 7.174421\n5.246919 5.264858 -7.174421\nMg Ga Cu\n2 1 1\ndirect\n0.000000 0.239444 0.239444 Mg\n0.000000 0.760556 0.760556 Mg\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n",
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{
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"spacegroup": 191
},
{
"id": "mp-541787",
"created_at": "2022-09-04T14:46:26.280767Z",
"structure_string": "Na32 Hg12\n1.0\n17.749236 -4.646475 0.000000\n17.749236 4.646475 0.000000\n16.532861 0.000000 7.955478\nNa Hg\n32 12\ndirect\n0.209672 0.858439 0.486374 Na\n0.858439 0.486374 0.209672 Na\n0.486374 0.209672 0.858439 Na\n0.641561 0.290328 0.013626 Na\n0.290328 0.013626 0.641561 Na\n0.013626 0.641561 0.290328 Na\n0.790328 0.141561 0.513626 Na\n0.141561 0.513626 0.790328 Na\n0.513626 0.790328 0.141561 Na\n0.358439 0.709672 0.986374 Na\n0.709672 0.986374 0.358439 Na\n0.986374 0.358439 0.709672 Na\n0.633916 0.879401 0.143268 Na\n0.879401 0.143268 0.633916 Na\n0.143268 0.633916 0.879401 Na\n0.620599 0.866084 0.356732 Na\n0.866084 0.356732 0.620599 Na\n0.356732 0.620599 0.866084 Na\n0.366084 0.120599 0.856732 Na\n0.120599 0.856732 0.366084 Na\n0.856732 0.366084 0.120599 Na\n0.379401 0.133916 0.643268 Na\n0.133916 0.643268 0.379401 Na\n0.643268 0.379401 0.133916 Na\n0.561401 0.561401 0.561401 Na\n0.938599 0.938599 0.938599 Na\n0.438599 0.438599 0.438599 Na\n0.061401 0.061401 0.061401 Na\n0.219731 0.219731 0.219731 Na\n0.280269 0.280269 0.280269 Na\n0.780269 0.780269 0.780269 Na\n0.719731 0.719731 0.719731 Na\n0.065432 0.434568 0.750000 Hg\n0.434568 0.750000 0.065432 Hg\n0.750000 0.065432 0.434568 Hg\n0.934568 0.565432 0.250000 Hg\n0.565432 0.250000 0.934568 Hg\n0.250000 0.934568 0.565432 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.841940 0.841940 0.841940 Hg\n0.658060 0.658060 0.658060 Hg\n0.158060 0.158060 0.158060 Hg\n0.341940 0.341940 0.341940 Hg\n",
"nsites": 44,
"nelements": 2,
"elements": [
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],
"chemical_system": "Hg-Na",
"density": 3.9770380916752948,
"density_atomic": 0.03353151168498114,
"volume": 1312.198519809285,
"volume_molar": 17.95964588944355,
"formula_full": "Na32 Hg12",
"formula_reduced": "Na8Hg3",
"formula_anonymous": "A3B8",
"energy": -53.62618717,
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"updated_at": "2021-11-28T01:37:39.938000Z",
"spacegroup": 167
},
{
"id": "mp-1097330",
"created_at": "2022-09-04T14:47:20.571978Z",
"structure_string": "Sr1 Tl2 In1\n1.0\n-6.577767 6.721689 10.026176\n6.577767 -6.721689 10.026176\n6.577767 6.721689 -10.026176\nSr Tl In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.273763 0.273763 Tl\n0.000000 0.726237 0.726237 Tl\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"Tl",
"In"
],
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"density": 0.5723787422742197,
"density_atomic": 0.002255837312218072,
"volume": 1773.1775152113983,
"volume_molar": 266.958114726752,
"formula_full": "Sr1 Tl2 In1",
"formula_reduced": "SrTl2In",
"formula_anonymous": "ABC2",
"energy": -4.87765456,
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"updated_at": "2021-11-28T01:38:02.851000Z",
"spacegroup": 71
},
{
"id": "mp-1096590",
"created_at": "2022-09-04T14:39:32.832138Z",
"structure_string": "K2 Cd1 Au1\n1.0\n-6.570318 6.816685 9.279438\n6.570318 -6.816685 9.279438\n6.570318 6.816685 -9.279438\nK Cd Au\n2 1 1\ndirect\n0.726526 0.000000 0.726526 K\n0.273474 0.000000 0.273474 K\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"Cd",
"Au"
],
"chemical_system": "Au-Cd-K",
"density": 0.38713518206762276,
"density_atomic": 0.0024061279072136806,
"volume": 1662.4220133966355,
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"formula_full": "K2 Cd1 Au1",
"formula_reduced": "K2CdAu",
"formula_anonymous": "ABC2",
"energy": -4.87964889,
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"updated_at": "2021-11-28T01:34:27.068000Z",
"spacegroup": 71
},
{
"id": "mp-974745",
"created_at": "2022-09-04T14:41:07.674907Z",
"structure_string": "Rb3 Tm1\n1.0\n-3.144555 3.144555 6.609496\n3.144555 -3.144555 6.609496\n3.144555 3.144555 -6.609496\nRb Tm\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Tm\n",
"nsites": 4,
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"elements": [
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"density": 2.701693998796022,
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"volume": 261.42476468986655,
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"formula_full": "Rb3 Tm1",
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"updated_at": "2021-11-28T01:35:08.300000Z",
"spacegroup": 139
},
{
"id": "mp-1097609",
"created_at": "2022-09-04T14:40:07.702774Z",
"structure_string": "Li1 Ca2 Pb1\n1.0\n-6.521356 6.657798 9.409206\n6.521356 -6.657798 9.409206\n6.521356 6.657798 -9.409206\nLi Ca Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.260227 0.260227 Ca\n0.000000 0.739773 0.739773 Ca\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ca-Li-Pb",
"density": 0.299056634110469,
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"volume": 1634.1107668009854,
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"formula_full": "Li1 Ca2 Pb1",
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"energy": -4.88444986,
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"updated_at": "2021-11-28T01:34:50.188000Z",
"spacegroup": 71
},
{
"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,
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],
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"density": 2.6754445119309835,
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"volume": 263.98967152920505,
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"formula_full": "Rb3 Tm1",
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"updated_at": "2021-11-28T01:34:58.361000Z",
"spacegroup": 221
},
{
"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,
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"elements": [
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],
"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,
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"spacegroup": 197
},
{
"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",
"energy": -4.88922279,
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"updated_at": "2021-11-28T01:35:06.907000Z",
"spacegroup": 71
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{
"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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"volume": 1788.8701228818854,
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"formula_full": "Sr2 Tl1 Pb1",
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{
"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": [
"Sr",
"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,
"energy_per_atom": -1.226116708452381,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.99380351,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029434,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.061000Z",
"spacegroup": 71
}
]
}