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{
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"results": [
{
"id": "mp-978533",
"created_at": "2022-09-04T14:48:08.522592Z",
"structure_string": "Si1 Hg3\n1.0\n-2.158251 2.158251 4.975199\n2.158251 -2.158251 4.975199\n2.158251 2.158251 -4.975199\nSi Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
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{
"id": "mp-1039217",
"created_at": "2022-09-04T14:43:56.365586Z",
"structure_string": "Mg2 Cd4\n1.0\n1.576268 -2.730176 0.000000\n1.576268 2.730176 0.000000\n0.000000 0.000000 15.673068\nMg Cd\n2 4\ndirect\n0.333333 0.666667 0.750000 Mg\n0.666667 0.333333 0.250000 Mg\n0.666667 0.333333 0.915215 Cd\n0.666667 0.333333 0.584785 Cd\n0.333333 0.666667 0.415215 Cd\n0.333333 0.666667 0.084785 Cd\n",
"nsites": 6,
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"spacegroup": 194
},
{
"id": "mp-1096231",
"created_at": "2022-09-04T14:43:07.690306Z",
"structure_string": "Li1 Mg2 Cu1\n1.0\n-5.444042 5.510813 7.695358\n5.444042 -5.510813 7.695358\n5.444042 5.510813 -7.695358\nLi Mg Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.735261 0.000000 0.735261 Mg\n0.264739 0.000000 0.264739 Mg\n0.500000 0.000000 0.500000 Cu\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cu-Li-Mg",
"density": 0.214152899119336,
"density_atomic": 0.00433145722597345,
"volume": 923.476740348288,
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"formula_full": "Li1 Mg2 Cu1",
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"total_magnetization": 8.4e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.595000Z",
"spacegroup": 71
},
{
"id": "mp-1039175",
"created_at": "2022-09-04T14:41:12.305651Z",
"structure_string": "Mg2 Cd4\n1.0\n1.560386 -2.702668 0.000000\n1.560386 2.702668 0.000000\n0.000000 0.000000 15.959181\nMg Cd\n2 4\ndirect\n0.000000 0.000000 0.166253 Mg\n0.000000 0.000000 0.833747 Mg\n0.000000 0.000000 0.500000 Cd\n0.666667 0.333333 0.330833 Cd\n0.666667 0.333333 0.000000 Cd\n0.666667 0.333333 0.669167 Cd\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Cd-Mg",
"density": 6.146594326837088,
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"volume": 134.60628570805065,
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"formula_full": "Mg2 Cd4",
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"formula_anonymous": "AB2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.853000Z",
"spacegroup": 187
},
{
"id": "mp-1172909",
"created_at": "2022-09-04T14:43:02.805785Z",
"structure_string": "Be12 Cl24\n1.0\n24.728142 -0.000000 -0.000000\n0.000000 24.728142 -0.000000\n0.000000 0.000000 24.728142\nBe Cl\n12 24\ndirect\n-0.000000 0.750000 0.500000 Be\n-0.000000 0.500000 0.250000 Be\n0.250000 0.500000 0.000000 Be\n0.500000 0.000000 0.750000 Be\n0.500000 0.000000 0.250000 Be\n0.500000 0.250000 0.000000 Be\n-0.000000 0.250000 0.500000 Be\n0.500000 0.750000 0.000000 Be\n0.000000 0.500000 0.750000 Be\n0.750000 0.000000 0.500000 Be\n0.750000 0.500000 0.000000 Be\n0.250000 0.000000 0.500000 Be\n0.138475 0.064440 0.138475 Cl\n0.361525 0.638475 0.435560 Cl\n0.435560 0.361525 0.638475 Cl\n0.861525 0.064440 0.861525 Cl\n0.564440 0.638475 0.638475 Cl\n0.935560 0.861525 0.138475 Cl\n0.138475 0.138475 0.064440 Cl\n0.435560 0.638475 0.361525 Cl\n0.935560 0.138475 0.861525 Cl\n0.638475 0.361525 0.435560 Cl\n0.361525 0.564440 0.361525 Cl\n0.638475 0.435560 0.361525 Cl\n0.138475 0.935560 0.861525 Cl\n0.861525 0.861525 0.064440 Cl\n0.861525 0.935560 0.138475 Cl\n0.861525 0.138475 0.935560 Cl\n0.064440 0.138475 0.138475 Cl\n0.361525 0.361525 0.564440 Cl\n0.361525 0.435560 0.638475 Cl\n0.638475 0.638475 0.564440 Cl\n0.138475 0.861525 0.935560 Cl\n0.638475 0.564440 0.638475 Cl\n0.564440 0.361525 0.361525 Cl\n0.064440 0.861525 0.861525 Cl\n",
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"density": 0.10531772797396952,
"density_atomic": 0.0023808281171929556,
"volume": 15120.78916576503,
"volume_molar": 252.94311321811108,
"formula_full": "Be12 Cl24",
"formula_reduced": "BeCl2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.408000Z",
"spacegroup": 217
},
{
"id": "mp-978652",
"created_at": "2022-09-04T14:45:25.840091Z",
"structure_string": "Si2 Hg6\n1.0\n3.499025 -6.060489 0.000000\n3.499025 6.060489 0.000000\n0.000000 0.000000 4.508998\nSi Hg\n2 6\ndirect\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n0.176257 0.352513 0.250000 Hg\n0.647487 0.823743 0.250000 Hg\n0.176257 0.823743 0.250000 Hg\n0.823743 0.647487 0.750000 Hg\n0.352513 0.176257 0.750000 Hg\n0.823743 0.176257 0.750000 Hg\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Hg-Si",
"density": 10.93843695564398,
"density_atomic": 0.0418335996520079,
"volume": 191.23384233123295,
"volume_molar": 14.395463957429143,
"formula_full": "Si2 Hg6",
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"updated_at": "2021-11-28T01:37:02.743000Z",
"spacegroup": 194
},
{
"id": "mp-1095730",
"created_at": "2022-09-04T14:39:58.996071Z",
"structure_string": "Tl2 Cd1 In1\n1.0\n-6.038936 6.254932 8.846123\n6.038936 -6.254932 8.846123\n6.038936 6.254932 -8.846123\nTl Cd In\n2 1 1\ndirect\n0.000000 0.255709 0.255709 Tl\n0.000000 0.744291 0.744291 Tl\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"volume": 1336.583158982687,
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"formula_full": "Tl2 Cd1 In1",
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"updated_at": "2021-11-28T01:34:43.187000Z",
"spacegroup": 71
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{
"id": "mp-1100149",
"created_at": "2022-09-04T14:39:17.914783Z",
"structure_string": "Cs1 Rb1 Mg6\n1.0\n3.185670 -8.361789 0.000000\n3.185670 8.361789 0.000000\n0.000000 0.000000 5.549269\nCs Rb Mg\n1 1 6\ndirect\n0.314564 0.685436 0.500000 Cs\n0.815688 0.184312 0.500000 Rb\n0.323397 0.174441 0.500000 Mg\n0.825559 0.676603 0.500000 Mg\n0.220592 0.272171 0.000000 Mg\n0.727829 0.779408 0.000000 Mg\n0.638466 0.361534 0.000000 Mg\n0.133908 0.866092 0.000000 Mg\n",
"nsites": 8,
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"elements": [
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"Mg"
],
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"density": 2.0456303250030876,
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"volume": 295.64174942596134,
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"formula_full": "Cs1 Rb1 Mg6",
"formula_reduced": "CsRbMg6",
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"energy": -9.27478075,
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"updated_at": "2021-11-28T01:34:24.691000Z",
"spacegroup": 38
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{
"id": "mp-1096468",
"created_at": "2022-09-04T14:42:20.324862Z",
"structure_string": "Li1 Zn2 Cu1\n1.0\n-4.662553 5.057437 6.532385\n4.662553 -5.057437 6.532385\n4.662553 5.057437 -6.532385\nLi Zn Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.741262 0.000000 0.741262 Zn\n0.258738 0.000000 0.258738 Zn\n0.500000 0.000000 0.500000 Cu\n",
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"volume": 616.1493962592459,
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"formula_full": "Li1 Zn2 Cu1",
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{
"id": "mp-1096496",
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"structure_string": "Na1 Zn2 Au1\n1.0\n-5.457809 5.861990 8.271718\n5.457809 -5.861990 8.271718\n5.457809 5.861990 -8.271718\nNa Zn Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.266889 0.266889 Zn\n0.000000 0.733111 0.733111 Zn\n0.000000 0.500000 0.500000 Au\n",
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"formula_full": "Na1 Zn2 Au1",
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{
"id": "mp-1427168",
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"structure_string": "Mo2 Cl10\n1.0\n6.468354 0.000000 0.000000\n-3.130598 6.207553 0.000000\n-0.220754 -3.695451 8.745751\nMo Cl\n2 10\ndirect\n0.391017 0.000658 0.714265 Mo\n0.608983 0.999342 0.285735 Mo\n0.772393 0.221583 0.461509 Cl\n0.759108 0.782005 0.354251 Cl\n0.227607 0.778417 0.538491 Cl\n0.595682 0.234431 0.835057 Cl\n0.240892 0.217995 0.645749 Cl\n0.404318 0.765569 0.164943 Cl\n0.977401 0.229315 0.077456 Cl\n0.554853 0.774443 0.737955 Cl\n0.445147 0.225557 0.262045 Cl\n0.022599 0.770685 0.922544 Cl\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Cl-Mo",
"density": 2.583785232779673,
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"volume": 351.1650813193873,
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"formula_full": "Mo2 Cl10",
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"updated_at": "2021-11-28T01:34:23.727000Z",
"spacegroup": 2
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{
"id": "mp-1093904",
"created_at": "2022-09-04T14:39:11.015889Z",
"structure_string": "Rb1 Na2 Bi1\n1.0\n-6.919010 7.225098 10.180580\n6.919010 -7.225098 10.180580\n6.919010 7.225098 -10.180580\nRb Na Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.276311 0.276311 Na\n0.000000 0.723689 0.723689 Na\n0.000000 0.500000 0.500000 Bi\n",
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"volume": 2035.730168763272,
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"formula_full": "Rb1 Na2 Bi1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:40.386000Z",
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}
]
}