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{
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"results": [
{
"id": "mp-1072802",
"created_at": "2022-09-04T14:47:38.673050Z",
"structure_string": "Ca2 Zn2 Sn2\n1.0\n2.311633 -4.003866 0.000000\n2.311633 4.003866 0.000000\n0.000000 0.000000 8.184329\nCa Zn Sn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n0.333333 0.666667 0.250000 Sn\n0.666667 0.333333 0.750000 Sn\n",
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{
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"created_at": "2022-09-04T14:40:29.542935Z",
"structure_string": "Ca4 Cd3 Au5\n1.0\n4.382276 0.000000 0.000000\n0.000000 7.422106 0.000000\n0.000000 0.025667 8.834715\nCa Cd Au\n4 3 5\ndirect\n0.500000 0.542488 0.814360 Ca\n0.500000 0.036855 0.677627 Ca\n0.000000 0.464459 0.189449 Ca\n0.000000 0.948714 0.322180 Ca\n0.500000 0.142967 0.060998 Cd\n0.000000 0.362153 0.559748 Cd\n0.000000 0.858730 0.939085 Cd\n0.500000 0.749700 0.124379 Au\n0.500000 0.249076 0.372057 Au\n0.000000 0.249826 0.871222 Au\n0.000000 0.749389 0.631747 Au\n0.500000 0.645643 0.437148 Au\n",
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"formula_full": "Ca4 Cd3 Au5",
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"spacegroup": 6
},
{
"id": "mp-567306",
"created_at": "2022-09-04T14:47:57.225030Z",
"structure_string": "Li6 Ga14\n1.0\n6.319155 -4.286670 0.000000\n6.319155 4.286670 0.000000\n3.411244 0.000000 6.831593\nLi Ga\n6 14\ndirect\n0.881202 0.470775 0.881202 Li\n0.470775 0.881202 0.881202 Li\n0.529225 0.118798 0.118798 Li\n0.881202 0.881202 0.470775 Li\n0.118798 0.118798 0.529225 Li\n0.118798 0.529225 0.118798 Li\n0.490518 0.175089 0.490518 Ga\n0.703957 0.178535 0.703957 Ga\n0.296043 0.296043 0.821465 Ga\n0.509482 0.824911 0.509482 Ga\n0.703957 0.703957 0.178535 Ga\n0.824911 0.509482 0.509482 Ga\n0.296043 0.821465 0.296043 Ga\n0.075918 0.075918 0.075918 Ga\n0.509482 0.509482 0.824911 Ga\n0.821465 0.296043 0.296043 Ga\n0.175089 0.490518 0.490518 Ga\n0.178535 0.703957 0.703957 Ga\n0.490518 0.490518 0.175089 Ga\n0.924082 0.924082 0.924082 Ga\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Ga-Li",
"density": 4.5663253238057,
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"volume": 370.11018814726503,
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"formula_full": "Li6 Ga14",
"formula_reduced": "Li3Ga7",
"formula_anonymous": "A3B7",
"energy": -58.13941431,
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"spacegroup": 166
},
{
"id": "mp-1058019",
"created_at": "2022-09-04T14:48:12.315022Z",
"structure_string": "Br1 N1\n1.0\n0.000000 2.442381 2.442381\n2.442381 0.000000 2.442381\n2.442381 2.442381 0.000000\nBr N\n1 1\ndirect\n0.500000 0.500000 0.500000 Br\n0.000000 0.000000 0.000000 N\n",
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"formula_full": "Br1 N1",
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"energy": -5.81391963,
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"spacegroup": 225
},
{
"id": "mp-1111783",
"created_at": "2022-09-04T14:41:57.711745Z",
"structure_string": "Cs1 Rb2 Au1 Br6\n1.0\n0.000000 5.981331 5.981331\n5.981331 0.000000 5.981331\n5.981331 5.981331 0.000000\nCs Rb Au Br\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Au\n0.777265 0.222735 0.222735 Br\n0.222735 0.222735 0.777265 Br\n0.222735 0.777265 0.777265 Br\n0.222735 0.777265 0.222735 Br\n0.777265 0.222735 0.777265 Br\n0.777265 0.777265 0.222735 Br\n",
"nsites": 10,
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"elements": [
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"Br"
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"density_atomic": 0.02336557618618904,
"volume": 427.98003012272454,
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"formula_full": "Cs1 Rb2 Au1 Br6",
"formula_reduced": "CsRb2AuBr6",
"formula_anonymous": "ABC2D6",
"energy": -29.0683332,
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"updated_at": "2021-11-28T01:35:30.219000Z",
"spacegroup": 225
},
{
"id": "mp-1111743",
"created_at": "2022-09-04T14:46:55.670848Z",
"structure_string": "Na2 Al1 Hg1 Br6\n1.0\n0.000000 5.476206 5.476206\n5.476206 0.000000 5.476206\n5.476206 5.476206 0.000000\nNa Al Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Hg\n0.768505 0.231495 0.231495 Br\n0.231495 0.231495 0.768505 Br\n0.231495 0.768505 0.768505 Br\n0.231495 0.768505 0.231495 Br\n0.768505 0.231495 0.768505 Br\n0.768505 0.768505 0.231495 Br\n",
"nsites": 10,
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"elements": [
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"Al",
"Hg",
"Br"
],
"chemical_system": "Al-Br-Hg-Na",
"density": 3.806802739860191,
"density_atomic": 0.030446030218398316,
"volume": 328.45004515423074,
"volume_molar": 19.77972404547133,
"formula_full": "Na2 Al1 Hg1 Br6",
"formula_reduced": "Na2AlHgBr6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:37:48.844000Z",
"spacegroup": 225
},
{
"id": "mp-978988",
"created_at": "2022-09-04T14:44:11.811692Z",
"structure_string": "Tb1 Tm1 Hg2\n1.0\n0.000000 3.710871 3.710871\n3.710871 0.000000 3.710871\n3.710871 3.710871 0.000000\nTb Tm Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 11.845206189937034,
"density_atomic": 0.03913834197511886,
"volume": 102.20157007527023,
"volume_molar": 15.386806022157028,
"formula_full": "Tb1 Tm1 Hg2",
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"formula_anonymous": "ABC2",
"energy": -11.62621376,
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"updated_at": "2021-11-28T01:36:30.732000Z",
"spacegroup": 225
},
{
"id": "mp-1247838",
"created_at": "2022-09-04T14:45:53.321756Z",
"structure_string": "Al4 Se6\n1.0\n24.880681 0.019323 0.054757\n12.445726 7.316565 0.067552\n8.330696 0.098343 15.663395\nAl Se\n4 6\ndirect\n0.785855 0.353290 0.607830 Al\n0.947014 0.666284 0.159815 Al\n0.133989 0.318524 0.607755 Al\n0.472558 0.328093 0.607674 Al\n0.992734 0.666910 0.020937 Se\n0.420470 0.320258 0.745695 Se\n0.600034 0.666586 0.199626 Se\n0.759763 0.327185 0.745783 Se\n0.646837 0.666451 0.059485 Se\n0.074078 0.353086 0.745401 Se\n",
"nsites": 10,
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"elements": [
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],
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"density": 0.33960900432402724,
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"volume": 2844.1901468546585,
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"formula_full": "Al4 Se6",
"formula_reduced": "Al2Se3",
"formula_anonymous": "A2B3",
"energy": -29.06484262,
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"spacegroup": 1
},
{
"id": "mp-1120726",
"created_at": "2022-09-04T14:45:35.469018Z",
"structure_string": "Rb6 Bi4 I18\n1.0\n7.438658 4.308751 0.000000\n-7.438658 4.308751 0.000000\n0.000000 0.535323 21.925147\nRb Bi I\n6 4 18\ndirect\n0.997235 0.002765 0.750000 Rb\n0.666575 0.330867 0.076604 Rb\n0.002765 0.997235 0.250000 Rb\n0.330867 0.666575 0.576604 Rb\n0.333425 0.669133 0.923396 Rb\n0.669133 0.333425 0.423396 Rb\n0.654535 0.323971 0.656210 Bi\n0.345465 0.676029 0.343790 Bi\n0.323971 0.654535 0.156210 Bi\n0.676029 0.345465 0.843790 Bi\n0.648366 0.813806 0.074570 I\n0.351634 0.186194 0.925430 I\n0.495817 0.998150 0.757157 I\n0.187360 0.855609 0.417278 I\n0.855609 0.187360 0.917278 I\n0.813806 0.648366 0.574570 I\n0.812640 0.144391 0.582722 I\n0.308250 0.149625 0.589623 I\n0.504183 0.001850 0.242843 I\n0.001850 0.504183 0.742843 I\n0.144391 0.812640 0.082722 I\n0.998150 0.495817 0.257157 I\n0.496547 0.503453 0.750000 I\n0.850375 0.691750 0.910377 I\n0.149625 0.308250 0.089623 I\n0.691750 0.850375 0.410377 I\n0.503453 0.496547 0.250000 I\n0.186194 0.351634 0.425430 I\n",
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"volume": 1405.4600285561066,
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"formula_full": "Rb6 Bi4 I18",
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{
"id": "mp-1079229",
"created_at": "2022-09-04T14:45:04.781508Z",
"structure_string": "Mg6 Pd2\n1.0\n2.341052 -4.054821 0.000000\n2.341052 4.054821 0.000000\n0.000000 0.000000 8.329678\nMg Pd\n6 2\ndirect\n0.000000 0.000000 0.250000 Mg\n0.000000 0.000000 0.750000 Mg\n0.333333 0.666667 0.923681 Mg\n0.666667 0.333333 0.076319 Mg\n0.666667 0.333333 0.423681 Mg\n0.333333 0.666667 0.576319 Mg\n0.333333 0.666667 0.250000 Pd\n0.666667 0.333333 0.750000 Pd\n",
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"volume": 158.13971668264196,
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"formula_full": "Mg6 Pd2",
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"spacegroup": 194
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{
"id": "mp-1093550",
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"structure_string": "Ca1 Sb1 Pd2\n1.0\n-4.968552 6.008016 8.578464\n4.968552 -6.008016 8.578464\n4.968552 6.008016 -8.578464\nCa Sb Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Sb\n0.000000 0.246030 0.246030 Pd\n0.000000 0.753970 0.753970 Pd\n",
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"volume": 1024.3077164047697,
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{
"id": "mp-1187991",
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"structure_string": "Yb6 P2\n1.0\n6.621897 0.008710 -0.002964\n-3.303406 5.741928 0.001827\n-0.002356 0.000338 5.212722\nYb P\n6 2\ndirect\n0.175372 0.351001 0.250021 Yb\n0.649129 0.824751 0.250073 Yb\n0.175425 0.824662 0.249937 Yb\n0.824482 0.648664 0.749966 Yb\n0.351281 0.175477 0.749925 Yb\n0.824437 0.175527 0.750085 Yb\n0.333261 0.666701 0.749897 P\n0.666617 0.333220 0.250093 P\n",
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]
}