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{
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"results": [
{
"id": "mp-1094747",
"created_at": "2022-09-04T14:42:53.278530Z",
"structure_string": "Mg4 Cd2\n1.0\n2.707848 -4.690130 0.000000\n2.707848 4.690130 0.000000\n0.000000 0.000000 5.197519\nMg Cd\n4 2\ndirect\n0.335458 0.335458 0.000000 Mg\n0.000000 0.664542 0.000000 Mg\n0.664542 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.500000 Cd\n0.333333 0.666667 0.500000 Cd\n",
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{
"id": "mp-1026650",
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"structure_string": "Rb1 Sr1 Mg14\n1.0\n6.889981 0.000000 -0.000000\n-3.444991 5.966898 0.000000\n0.000000 0.000000 10.607394\nRb Sr Mg\n1 1 14\ndirect\n0.166667 0.333333 0.125000 Rb\n0.166667 0.333333 0.625000 Sr\n0.173056 0.836528 0.125000 Mg\n0.176297 0.838148 0.625000 Mg\n0.663472 0.326944 0.125000 Mg\n0.661852 0.323703 0.625000 Mg\n0.663472 0.836528 0.125000 Mg\n0.661852 0.838148 0.625000 Mg\n0.346129 0.153871 0.378481 Mg\n0.346129 0.153871 0.871519 Mg\n0.346129 0.692260 0.378481 Mg\n0.346129 0.692260 0.871519 Mg\n0.807740 0.153871 0.378481 Mg\n0.807740 0.153871 0.871519 Mg\n0.833333 0.666667 0.375215 Mg\n0.833333 0.666667 0.874785 Mg\n",
"nsites": 16,
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"volume": 436.0892075503418,
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"formula_full": "Rb1 Sr1 Mg14",
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"updated_at": "2021-11-28T01:37:33.582000Z",
"spacegroup": 187
},
{
"id": "mp-1186042",
"created_at": "2022-09-04T14:45:23.306226Z",
"structure_string": "Na6 Ca2\n1.0\n3.819630 -6.615793 0.000000\n3.819630 6.615793 0.000000\n0.000000 0.000000 5.999172\nNa Ca\n6 2\ndirect\n0.161651 0.323302 0.250000 Na\n0.676698 0.838349 0.250000 Na\n0.161651 0.838349 0.250000 Na\n0.838349 0.676698 0.750000 Na\n0.323302 0.161651 0.750000 Na\n0.838349 0.161651 0.750000 Na\n0.333333 0.666667 0.750000 Ca\n0.666667 0.333333 0.250000 Ca\n",
"nsites": 8,
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"chemical_system": "Ca-Na",
"density": 1.1944542721869935,
"density_atomic": 0.026385508834508554,
"volume": 303.1967300754541,
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"formula_full": "Na6 Ca2",
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"updated_at": "2021-11-28T01:37:09.541000Z",
"spacegroup": 194
},
{
"id": "mp-1247180",
"created_at": "2022-09-04T14:43:24.987593Z",
"structure_string": "Mg10\n1.0\n3.421369 -0.013175 0.000664\n-0.013772 5.102642 -0.012034\n0.001858 -0.033979 14.595693\nMg\n10\ndirect\n0.518609 0.010102 0.168218 Mg\n0.018543 0.989977 0.331772 Mg\n0.018592 0.990607 0.668250 Mg\n0.518583 0.009373 0.831729 Mg\n0.018722 0.509226 0.850146 Mg\n0.518430 0.490758 0.649919 Mg\n0.518377 0.490287 0.350614 Mg\n0.518347 0.979160 0.500073 Mg\n0.018698 0.020733 0.999915 Mg\n0.018811 0.509792 0.149372 Mg\n",
"nsites": 10,
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"formula_full": "Mg10",
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"energy": -14.22901379,
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"updated_at": "2021-11-28T01:36:17.732000Z",
"spacegroup": 59
},
{
"id": "mp-852960",
"created_at": "2022-09-04T14:45:10.992132Z",
"structure_string": "Te2 P2 H2 O10\n1.0\n5.421546 0.000000 0.000000\n-0.606443 5.452398 0.000000\n-1.969083 -2.852138 7.001310\nTe P H O\n2 2 2 10\ndirect\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.563088 0.417439 0.226487 P\n0.436912 0.582561 0.773513 P\n0.969665 0.623675 0.337886 H\n0.030335 0.376325 0.662114 H\n0.886819 0.233676 0.717662 O\n0.676252 0.446658 0.362050 O\n0.348845 0.984679 0.660111 O\n0.680292 0.692896 0.057915 O\n0.261855 0.510715 0.150125 O\n0.738145 0.489285 0.849875 O\n0.319709 0.307104 0.942085 O\n0.651155 0.015321 0.339889 O\n0.323748 0.553342 0.637950 O\n0.113181 0.766324 0.282338 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"P",
"H",
"O"
],
"chemical_system": "H-O-P-Te",
"density": 3.8444772605184494,
"density_atomic": 0.07730898623688888,
"volume": 206.9617101299592,
"volume_molar": 7.789703439580826,
"formula_full": "Te2 P2 H2 O10",
"formula_reduced": "TePHO5",
"formula_anonymous": "ABCD5",
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"updated_at": "2021-11-28T01:36:50.200000Z",
"spacegroup": 2
},
{
"id": "mp-1201591",
"created_at": "2022-09-04T14:47:18.912017Z",
"structure_string": "La3 Cd33\n1.0\n9.487197 0.000000 0.000000\n0.000000 9.487197 0.000000\n0.000000 0.000000 9.487197\nLa Cd\n3 33\ndirect\n0.500000 0.000000 0.000000 La\n0.000000 0.000000 0.500000 La\n0.000000 0.500000 0.000000 La\n0.500000 0.500000 0.500000 Cd\n0.154842 0.154842 0.845158 Cd\n0.154842 0.845158 0.154842 Cd\n0.845158 0.154842 0.154842 Cd\n0.845158 0.845158 0.845158 Cd\n0.845158 0.845158 0.154842 Cd\n0.845158 0.154842 0.845158 Cd\n0.154842 0.845158 0.845158 Cd\n0.154842 0.154842 0.154842 Cd\n0.000000 0.345921 0.654079 Cd\n0.345921 0.345921 0.000000 Cd\n0.345921 0.000000 0.654079 Cd\n0.000000 0.654079 0.345921 Cd\n0.345921 0.654079 0.000000 Cd\n0.345921 0.000000 0.345921 Cd\n0.000000 0.345921 0.345921 Cd\n0.654079 0.345921 0.000000 Cd\n0.654079 0.000000 0.345921 Cd\n0.000000 0.654079 0.654079 Cd\n0.654079 0.654079 0.000000 Cd\n0.654079 0.000000 0.654079 Cd\n0.500000 0.266827 0.733173 Cd\n0.266827 0.266827 0.500000 Cd\n0.266827 0.500000 0.733173 Cd\n0.500000 0.733173 0.266827 Cd\n0.266827 0.733173 0.500000 Cd\n0.266827 0.500000 0.266827 Cd\n0.500000 0.266827 0.266827 Cd\n0.733173 0.266827 0.500000 Cd\n0.733173 0.500000 0.266827 Cd\n0.500000 0.733173 0.733173 Cd\n0.733173 0.733173 0.500000 Cd\n0.733173 0.500000 0.733173 Cd\n",
"nsites": 36,
"nelements": 2,
"elements": [
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],
"chemical_system": "Cd-La",
"density": 8.024056426801693,
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"volume": 853.9132572804297,
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"formula_full": "La3 Cd33",
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"updated_at": "2021-11-28T01:38:05.917000Z",
"spacegroup": 221
},
{
"id": "mp-1094298",
"created_at": "2022-09-04T14:41:52.714085Z",
"structure_string": "Sr1 Mg1\n1.0\n0.000000 3.499514 3.499514\n3.499514 0.000000 3.499514\n3.499514 3.499514 0.000000\nSr Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 2,
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"elements": [
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"Mg"
],
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"density": 2.1683181197218424,
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"volume": 85.71428395988642,
"volume_molar": 25.809174157452308,
"formula_full": "Sr1 Mg1",
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"updated_at": "2021-11-28T01:35:36.456000Z",
"spacegroup": 225
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{
"id": "mp-1096475",
"created_at": "2022-09-04T14:45:30.133074Z",
"structure_string": "Ba2 Tl1 Pb1\n1.0\n-6.344516 7.375057 10.578048\n6.344516 -7.375057 10.578048\n6.344516 7.375057 -10.578048\nBa Tl Pb\n2 1 1\ndirect\n0.000000 0.254479 0.254479 Ba\n0.000000 0.745521 0.745521 Ba\n0.000000 0.000000 0.000000 Tl\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"density": 0.5755645203096054,
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"volume": 1979.836847822267,
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"formula_full": "Ba2 Tl1 Pb1",
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"updated_at": "2021-11-28T01:36:57.697000Z",
"spacegroup": 71
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{
"id": "mp-1094461",
"created_at": "2022-09-04T14:41:28.314810Z",
"structure_string": "Mg2 Zn4\n1.0\n2.405044 4.408048 0.000000\n-2.405044 4.408048 0.000000\n0.000000 3.239342 4.817644\nMg Zn\n2 4\ndirect\n0.085315 0.914685 0.750000 Mg\n0.914685 0.085315 0.250000 Mg\n0.251816 0.417823 0.238189 Zn\n0.582177 0.748184 0.261811 Zn\n0.417823 0.251816 0.738189 Zn\n0.748184 0.582177 0.761811 Zn\n",
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"formula_full": "Mg2 Zn4",
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{
"id": "mp-1094788",
"created_at": "2022-09-04T14:47:25.223369Z",
"structure_string": "Mg2 Zn2\n1.0\n1.539936 -2.667247 0.000000\n1.539936 2.667247 0.000000\n0.000000 0.000000 9.160490\nMg Zn\n2 2\ndirect\n0.333333 0.666667 0.643243 Mg\n0.666667 0.333333 0.356757 Mg\n0.666667 0.333333 0.889837 Zn\n0.333333 0.666667 0.110163 Zn\n",
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"updated_at": "2021-11-28T01:38:08.635000Z",
"spacegroup": 164
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{
"id": "mp-1096709",
"created_at": "2022-09-04T14:42:06.021669Z",
"structure_string": "Cd2 Ag1 Pd1\n1.0\n-5.312973 5.763021 8.148505\n5.312973 -5.763021 8.148505\n5.312973 5.763021 -8.148505\nCd Ag Pd\n2 1 1\ndirect\n0.000000 0.245455 0.245455 Cd\n0.000000 0.754545 0.754545 Cd\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"volume": 997.9889637943868,
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"updated_at": "2021-11-28T01:35:47.213000Z",
"spacegroup": 71
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{
"id": "mp-1183366",
"created_at": "2022-09-04T14:42:38.380433Z",
"structure_string": "Ba2 Cd6\n1.0\n3.792001 -6.387719 0.000000\n3.792001 6.387719 0.000000\n0.000000 0.000000 5.324224\nBa Cd\n2 6\ndirect\n0.332760 0.667240 0.250000 Ba\n0.667240 0.332760 0.750000 Ba\n0.140552 0.281718 0.750000 Cd\n0.718282 0.859448 0.750000 Cd\n0.140084 0.859916 0.750000 Cd\n0.859448 0.718282 0.250000 Cd\n0.281718 0.140552 0.250000 Cd\n0.859916 0.140084 0.250000 Cd\n",
"nsites": 8,
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"elements": [
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"volume": 257.9292293888383,
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"formula_full": "Ba2 Cd6",
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"updated_at": "2021-11-28T01:35:50.205000Z",
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}
]
}