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{
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"results": [
{
"id": "mp-961706",
"created_at": "2022-09-04T14:44:54.137507Z",
"structure_string": "Ti1 Si1 Pt1\n1.0\n0.000000 2.949761 2.949761\n2.949761 0.000000 2.949761\n2.949761 2.949761 0.000000\nTi Si Pt\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Si\n0.750000 0.750000 0.750000 Pt\n",
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{
"id": "mp-559777",
"created_at": "2022-09-04T14:44:55.624486Z",
"structure_string": "Na10 Ca4 Al2 P8 O32\n1.0\n7.049698 5.607770 0.000000\n-7.049698 5.607770 0.000000\n0.000000 5.203706 9.259408\nNa Ca Al P O\n10 4 2 8 32\ndirect\n0.579284 0.320619 0.557294 Na\n0.772278 0.743895 0.382169 Na\n0.320619 0.579284 0.057294 Na\n0.887217 0.242522 0.724873 Na\n0.815632 0.073582 0.513203 Na\n0.073582 0.815632 0.013203 Na\n0.281127 0.268782 0.370644 Na\n0.743895 0.772278 0.882169 Na\n0.268782 0.281127 0.870644 Na\n0.242522 0.887217 0.224873 Na\n0.014430 0.800024 0.571182 Ca\n0.800024 0.014430 0.071182 Ca\n0.551406 0.331442 0.030031 Ca\n0.331442 0.551406 0.530031 Ca\n0.408131 0.926256 0.666952 Al\n0.926256 0.408131 0.166952 Al\n0.472129 0.968087 0.368950 P\n0.014455 0.502711 0.395192 P\n0.068153 0.129274 0.215803 P\n0.554440 0.643190 0.709631 P\n0.643190 0.554440 0.209631 P\n0.968087 0.472129 0.868950 P\n0.129274 0.068153 0.715803 P\n0.502711 0.014455 0.895192 P\n0.480630 0.174901 0.906463 O\n0.201679 0.919750 0.738471 O\n0.274316 0.233444 0.614114 O\n0.607408 0.897859 0.313938 O\n0.174901 0.480630 0.406463 O\n0.037793 0.534305 0.231395 O\n0.567212 0.531658 0.367737 O\n0.045881 0.510277 0.976959 O\n0.459206 0.099495 0.244746 O\n0.509853 0.512931 0.150790 O\n0.661095 0.993575 0.914996 O\n0.730102 0.776957 0.612656 O\n0.233444 0.274316 0.114114 O\n0.727945 0.418693 0.205046 O\n0.998986 0.024108 0.653688 O\n0.531658 0.567212 0.867737 O\n0.024108 0.998986 0.153688 O\n0.776957 0.730102 0.112656 O\n0.510277 0.045881 0.476959 O\n0.299884 0.822729 0.458841 O\n0.066692 0.043681 0.366301 O\n0.897859 0.607408 0.813938 O\n0.822729 0.299884 0.958841 O\n0.993575 0.661095 0.414996 O\n0.919750 0.201679 0.238471 O\n0.418693 0.727945 0.705046 O\n0.346052 0.860022 0.999174 O\n0.043681 0.066692 0.866301 O\n0.860022 0.346052 0.499174 O\n0.099495 0.459206 0.744746 O\n0.534305 0.037793 0.731395 O\n0.512931 0.509853 0.650790 O\n",
"nsites": 56,
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"elements": [
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"formula_full": "Na10 Ca4 Al2 P8 O32",
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"updated_at": "2021-11-28T01:36:41.098000Z",
"spacegroup": 9
},
{
"id": "mp-1188220",
"created_at": "2022-09-04T14:44:27.801540Z",
"structure_string": "Si6 O12\n1.0\n-4.495790 4.495790 4.495790\n4.495790 -4.495790 4.495790\n4.495790 4.495790 -4.495790\nSi O\n6 12\ndirect\n0.500000 0.750000 0.250000 Si\n0.750000 0.500000 0.250000 Si\n0.250000 0.750000 0.500000 Si\n0.250000 0.500000 0.750000 Si\n0.500000 0.250000 0.750000 Si\n0.750000 0.250000 0.500000 Si\n0.662575 0.366513 0.000000 O\n0.296062 0.633487 0.633487 O\n0.662575 0.000000 0.366513 O\n0.366513 0.662575 0.000000 O\n0.000000 0.662575 0.366513 O\n0.633487 0.296062 0.633487 O\n0.633487 0.633487 0.296062 O\n0.000000 0.366513 0.662575 O\n0.366513 0.000000 0.662575 O\n0.337425 0.337425 0.703938 O\n0.703938 0.337425 0.337425 O\n0.337425 0.703938 0.337425 O\n",
"nsites": 18,
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"elements": [
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"chemical_system": "O-Si",
"density": 1.6469609857779863,
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"volume": 363.4779268029263,
"volume_molar": 12.160640213112215,
"formula_full": "Si6 O12",
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"energy": -150.59833632,
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"updated_at": "2021-11-28T01:36:42.796000Z",
"spacegroup": 217
},
{
"id": "mp-1039186",
"created_at": "2022-09-04T14:44:28.306519Z",
"structure_string": "Mg6 Cd6\n1.0\n4.974291 0.000000 0.000000\n0.000000 9.640728 0.000000\n0.000000 0.000000 5.473542\nMg Cd\n6 6\ndirect\n-0.000000 0.169312 0.160908 Mg\n0.000000 0.330688 0.660908 Mg\n0.500000 0.500000 0.842844 Mg\n-0.000000 0.669312 0.660908 Mg\n0.000000 0.830688 0.160908 Mg\n0.500000 0.000000 0.342844 Mg\n0.000000 0.500000 0.158689 Cd\n0.500000 0.332833 0.338326 Cd\n0.500000 0.167167 0.838326 Cd\n0.000000 0.000000 0.658689 Cd\n0.500000 0.832833 0.838326 Cd\n0.500000 0.667167 0.338326 Cd\n",
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"elements": [
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"density": 5.189317201386956,
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"volume": 262.48801168131604,
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"formula_full": "Mg6 Cd6",
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"formula_anonymous": "AB",
"energy": -16.02158789,
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"updated_at": "2021-11-28T01:36:35.979000Z",
"spacegroup": 38
},
{
"id": "mp-1200853",
"created_at": "2022-09-04T14:44:45.792944Z",
"structure_string": "Er8 Hf4 S20\n1.0\n7.213734 0.000000 0.000000\n0.000000 7.679367 0.000000\n0.000000 0.000000 11.517384\nEr Hf S\n8 4 20\ndirect\n0.523792 0.002756 0.321508 Er\n0.976208 0.497244 0.821508 Er\n0.476208 0.502756 0.678492 Er\n0.023792 0.997244 0.178492 Er\n0.476208 0.997244 0.678492 Er\n0.023792 0.502756 0.178492 Er\n0.523792 0.497244 0.321508 Er\n0.976208 0.002756 0.821508 Er\n0.075440 0.750000 0.494167 Hf\n0.424560 0.750000 0.994167 Hf\n0.924560 0.250000 0.505833 Hf\n0.575440 0.250000 0.005833 Hf\n0.838543 0.536345 0.595364 S\n0.661457 0.963655 0.095364 S\n0.161457 0.036345 0.404636 S\n0.338543 0.463655 0.904636 S\n0.161457 0.463655 0.404636 S\n0.338543 0.036345 0.904636 S\n0.838543 0.963655 0.595364 S\n0.661457 0.536345 0.095364 S\n0.832134 0.750000 0.318908 S\n0.667866 0.750000 0.818908 S\n0.167866 0.250000 0.681092 S\n0.332134 0.250000 0.181092 S\n0.447613 0.750000 0.497215 S\n0.052387 0.750000 0.997215 S\n0.552387 0.250000 0.502785 S\n0.947613 0.250000 0.002785 S\n0.188839 0.750000 0.707466 S\n0.311161 0.750000 0.207466 S\n0.811161 0.250000 0.292534 S\n0.688839 0.250000 0.792534 S\n",
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],
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"volume": 638.0274944011527,
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"formula_full": "Er8 Hf4 S20",
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"spacegroup": 62
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{
"id": "mp-775804",
"created_at": "2022-09-04T14:44:42.505385Z",
"structure_string": "Li12 Sb4 S12\n1.0\n11.924756 0.000000 0.000000\n0.000000 4.154212 0.000000\n0.000000 3.703281 12.179939\nLi Sb S\n12 4 12\ndirect\n0.450505 0.890278 0.613325 Li\n0.973336 0.814439 0.625385 Li\n0.223305 0.425519 0.017258 Li\n0.049495 0.890278 0.113325 Li\n0.526664 0.814439 0.125385 Li\n0.723305 0.574481 0.482742 Li\n0.276695 0.425519 0.517258 Li\n0.473336 0.185561 0.874615 Li\n0.950505 0.109722 0.886675 Li\n0.776695 0.574481 0.982742 Li\n0.026664 0.185561 0.374615 Li\n0.549495 0.109722 0.386675 Li\n0.693430 0.522120 0.748818 Sb\n0.806570 0.522120 0.248818 Sb\n0.193430 0.477880 0.751182 Sb\n0.306570 0.477880 0.251182 Sb\n0.654798 0.982423 0.575502 S\n0.587087 0.662238 0.897535 S\n0.845202 0.982423 0.075502 S\n0.881583 0.682018 0.803205 S\n0.912913 0.662238 0.397535 S\n0.618417 0.682018 0.303205 S\n0.381583 0.317982 0.696795 S\n0.087087 0.337762 0.602465 S\n0.118417 0.317982 0.196795 S\n0.154798 0.017577 0.924498 S\n0.412913 0.337762 0.102465 S\n0.345202 0.017577 0.424498 S\n",
"nsites": 28,
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"elements": [
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],
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"volume": 603.3693854564401,
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"formula_full": "Li12 Sb4 S12",
"formula_reduced": "Li3SbS3",
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"spacegroup": 14
},
{
"id": "mp-1034931",
"created_at": "2022-09-04T14:44:41.915838Z",
"structure_string": "Sr1 Mg14 Zn1 O16\n1.0\n8.652150 0.000000 0.000000\n0.000000 8.652150 -0.000000\n0.000000 -0.000000 4.401781\nSr Mg Zn O\n1 14 1 16\ndirect\n0.500000 0.500000 0.000000 Sr\n-0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n-0.000000 0.248635 0.500000 Mg\n-0.000000 0.751365 0.500000 Mg\n0.500000 0.240498 0.500000 Mg\n0.500000 0.759502 0.500000 Mg\n0.248635 0.000000 0.500000 Mg\n0.240498 0.500000 0.500000 Mg\n0.751365 0.000000 0.500000 Mg\n0.759502 0.500000 0.500000 Mg\n0.244237 0.244237 0.000000 Mg\n0.244237 0.755763 0.000000 Mg\n0.755763 0.244237 -0.000000 Mg\n0.755763 0.755763 -0.000000 Mg\n-0.000000 0.000000 0.000000 Zn\n0.248940 0.000000 0.000000 O\n0.228585 0.500000 0.000000 O\n0.751060 0.000000 -0.000000 O\n0.771415 0.500000 0.000000 O\n0.249707 0.249707 0.500000 O\n0.249707 0.750293 0.500000 O\n0.750293 0.249707 0.500000 O\n0.750293 0.750293 0.500000 O\n-0.000000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.248940 0.000000 O\n-0.000000 0.751060 -0.000000 O\n0.500000 0.228585 0.000000 O\n0.500000 0.771415 0.000000 O\n",
"nsites": 32,
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"elements": [
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],
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"density": 3.775914698556066,
"density_atomic": 0.09711212707000844,
"volume": 329.51600346402773,
"volume_molar": 6.201224236040695,
"formula_full": "Sr1 Mg14 Zn1 O16",
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"formula_anonymous": "ABC14D16",
"energy": -196.75864186,
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"spacegroup": 123
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{
"id": "mp-804",
"created_at": "2022-09-04T14:44:26.521828Z",
"structure_string": "Ga2 N2\n1.0\n1.608145 -2.785389 0.000000\n1.608145 2.785389 0.000000\n0.000000 0.000000 5.239962\nGa N\n2 2\ndirect\n0.666667 0.333333 0.499120 Ga\n0.333333 0.666667 0.999120 Ga\n0.666667 0.333333 0.875880 N\n0.333333 0.666667 0.375880 N\n",
"nsites": 4,
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"elements": [
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],
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"density": 5.923650599411056,
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"volume": 46.9428220153705,
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"formula_full": "Ga2 N2",
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"energy": -25.35644937,
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{
"id": "mp-756536",
"created_at": "2022-09-04T14:44:25.949122Z",
"structure_string": "Li4 Ti6 Mn2 O16\n1.0\n-2.988194 1.725310 4.879865\n2.988273 -5.175971 0.000064\n9.323683 5.383163 0.146646\nLi Ti Mn O\n4 6 2 16\ndirect\n0.116609 0.058248 0.174852 Li\n0.116510 0.558283 0.674862 Li\n0.883467 0.441687 0.325173 Li\n0.883382 0.941722 0.825204 Li\n0.500145 0.000246 0.499872 Ti\n0.499880 0.499793 0.999837 Ti\n0.499993 0.500149 0.500107 Ti\n0.500409 0.000097 0.000134 Ti\n0.000159 0.999840 0.500068 Ti\n0.000287 0.500202 0.000063 Ti\n0.500197 0.750080 0.250067 Mn\n0.499919 0.249956 0.750012 Mn\n0.263115 0.131517 0.394708 O\n0.263080 0.631520 0.894690 O\n0.736764 0.368353 0.105274 O\n0.736792 0.868358 0.605282 O\n0.708717 0.354340 0.604265 O\n0.708782 0.854458 0.104235 O\n0.249788 0.895510 0.604272 O\n0.249796 0.395488 0.104248 O\n0.249787 0.354407 0.604238 O\n0.249835 0.854287 0.104270 O\n0.749956 0.145595 0.895664 O\n0.750173 0.645614 0.395759 O\n0.750047 0.604518 0.895708 O\n0.750014 0.104470 0.395706 O\n0.291145 0.145649 0.895722 O\n0.291250 0.645613 0.395707 O\n",
"nsites": 28,
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"volume": 315.5113656803676,
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"formula_full": "Li4 Ti6 Mn2 O16",
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{
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{
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{
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"formula_full": "Dy2 B2 O6",
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}