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{
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"results": [
{
"id": "mp-1103513",
"created_at": "2022-09-04T14:45:29.391774Z",
"structure_string": "Li3 Mg8 Si4\n1.0\n6.575961 0.000000 0.000000\n0.000000 6.575961 0.000000\n0.000000 0.000000 6.575961\nLi Mg Si\n3 8 4\ndirect\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.254064 0.254064 0.254064 Mg\n0.745936 0.745936 0.254064 Mg\n0.745936 0.254064 0.745936 Mg\n0.254064 0.745936 0.745936 Mg\n0.254064 0.254064 0.745936 Mg\n0.745936 0.745936 0.745936 Mg\n0.745936 0.254064 0.254064 Mg\n0.254064 0.745936 0.254064 Mg\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n",
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{
"id": "mp-1216545",
"created_at": "2022-09-04T14:44:09.077268Z",
"structure_string": "Tl3 Bi1\n1.0\n1.786724 -3.094697 0.000000\n1.786724 3.094697 0.000000\n0.000000 0.000000 11.512226\nTl Bi\n3 1\ndirect\n0.666667 0.333333 0.500000 Tl\n0.333333 0.666667 0.249686 Tl\n0.333333 0.666667 0.750314 Tl\n0.666667 0.333333 0.000000 Bi\n",
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{
"id": "mp-569273",
"created_at": "2022-09-04T14:47:32.234146Z",
"structure_string": "Mg88 Ir14\n1.0\n0.000000 10.049179 10.049179\n10.049179 0.000000 10.049179\n10.049179 10.049179 0.000000\nMg Ir\n88 14\ndirect\n0.519818 0.868135 0.092229 Mg\n0.442551 0.661710 0.234030 Mg\n0.855830 0.644170 0.644170 Mg\n0.784488 0.784488 0.000096 Mg\n0.661710 0.234030 0.661710 Mg\n0.519818 0.519818 0.092229 Mg\n0.661710 0.442551 0.234030 Mg\n0.234030 0.442551 0.661710 Mg\n0.438261 0.685217 0.438261 Mg\n0.280576 0.913759 0.280576 Mg\n0.051893 0.051893 0.051893 Mg\n0.180449 0.819551 0.819551 Mg\n0.089242 0.303586 0.303586 Mg\n0.868135 0.519818 0.519818 Mg\n0.234030 0.661710 0.661710 Mg\n0.665403 0.020428 0.293742 Mg\n0.525089 0.913759 0.280576 Mg\n0.661710 0.442551 0.661710 Mg\n0.092229 0.519818 0.519818 Mg\n0.293742 0.665403 0.020428 Mg\n0.784488 0.430929 0.000096 Mg\n0.685217 0.438261 0.438261 Mg\n0.844321 0.051893 0.051893 Mg\n0.519818 0.519818 0.868135 Mg\n0.180449 0.819551 0.180449 Mg\n0.234030 0.661710 0.442551 Mg\n0.051893 0.844321 0.051893 Mg\n0.438261 0.438261 0.438261 Mg\n0.092229 0.519818 0.868135 Mg\n0.868135 0.092229 0.519818 Mg\n0.661710 0.661710 0.442551 Mg\n0.020428 0.665403 0.020428 Mg\n0.438261 0.438261 0.685217 Mg\n0.293742 0.020428 0.665403 Mg\n0.665403 0.293742 0.020428 Mg\n0.498468 0.167177 0.167177 Mg\n0.784488 0.000096 0.784488 Mg\n0.430929 0.784488 0.784488 Mg\n0.000096 0.430929 0.784488 Mg\n0.303586 0.089242 0.303586 Mg\n0.784488 0.784488 0.430929 Mg\n0.280576 0.913759 0.525089 Mg\n0.819551 0.180449 0.180449 Mg\n0.855830 0.855830 0.644170 Mg\n0.430929 0.784488 0.000096 Mg\n0.819551 0.819551 0.180449 Mg\n0.167177 0.167177 0.167177 Mg\n0.644170 0.644170 0.855830 Mg\n0.303586 0.303586 0.089242 Mg\n0.280576 0.525089 0.280576 Mg\n0.784488 0.000096 0.430929 Mg\n0.519818 0.092229 0.519818 Mg\n0.167177 0.498468 0.167177 Mg\n0.293742 0.020428 0.020428 Mg\n0.020428 0.020428 0.293742 Mg\n0.525089 0.280576 0.913759 Mg\n0.819551 0.180449 0.819551 Mg\n0.020428 0.293742 0.020428 Mg\n0.661710 0.234030 0.442551 Mg\n0.665403 0.020428 0.020428 Mg\n0.020428 0.020428 0.665403 Mg\n0.280576 0.525089 0.913759 Mg\n0.868135 0.519818 0.092229 Mg\n0.644170 0.855830 0.855830 Mg\n0.519818 0.092229 0.868135 Mg\n0.280576 0.280576 0.913759 Mg\n0.913759 0.280576 0.280576 Mg\n0.913759 0.280576 0.525089 Mg\n0.525089 0.280576 0.280576 Mg\n0.167177 0.167177 0.498468 Mg\n0.020428 0.293742 0.665403 Mg\n0.442551 0.661710 0.661710 Mg\n0.020428 0.665403 0.293742 Mg\n0.855830 0.644170 0.855830 Mg\n0.784488 0.430929 0.784488 Mg\n0.000096 0.784488 0.784488 Mg\n0.644170 0.855830 0.644170 Mg\n0.180449 0.180449 0.819551 Mg\n0.051893 0.051893 0.844321 Mg\n0.430929 0.000096 0.784488 Mg\n0.280576 0.280576 0.525089 Mg\n0.092229 0.868135 0.519818 Mg\n0.661710 0.661710 0.234030 Mg\n0.913759 0.525089 0.280576 Mg\n0.442551 0.234030 0.661710 Mg\n0.519818 0.868135 0.519818 Mg\n0.000096 0.784488 0.430929 Mg\n0.303586 0.303586 0.303586 Mg\n0.413673 0.086327 0.413673 Ir\n0.249565 0.916812 0.916812 Ir\n0.651152 0.651152 0.046545 Ir\n0.651152 0.046545 0.651152 Ir\n0.916812 0.916812 0.249565 Ir\n0.916812 0.916812 0.916812 Ir\n0.916812 0.249565 0.916812 Ir\n0.086327 0.086327 0.413673 Ir\n0.086327 0.413673 0.086327 Ir\n0.046545 0.651152 0.651152 Ir\n0.651152 0.651152 0.651152 Ir\n0.413673 0.413673 0.086327 Ir\n0.413673 0.086327 0.086327 Ir\n0.086327 0.413673 0.413673 Ir\n",
"nsites": 102,
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"elements": [
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"density": 3.9515139211426757,
"density_atomic": 0.05025490192003443,
"volume": 2029.6527523285658,
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"formula_full": "Mg88 Ir14",
"formula_reduced": "Mg44Ir7",
"formula_anonymous": "A7B44",
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"updated_at": "2021-11-28T01:38:08.489000Z",
"spacegroup": 216
},
{
"id": "mp-30406",
"created_at": "2022-09-04T14:43:09.551356Z",
"structure_string": "Li2 Tl1 Au1\n1.0\n0.000000 3.337154 3.337154\n3.337154 0.000000 3.337154\n3.337154 3.337154 0.000000\nLi Tl Au\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Tl\n0.750000 0.750000 0.750000 Au\n",
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"formula_full": "Li2 Tl1 Au1",
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"updated_at": "2021-11-28T01:36:04.331000Z",
"spacegroup": 216
},
{
"id": "mp-1094950",
"created_at": "2022-09-04T14:40:34.094047Z",
"structure_string": "Mg1 Ga3\n1.0\n3.270746 0.000000 0.000000\n0.000000 4.586037 0.000000\n0.000000 0.000000 5.147397\nMg Ga\n1 3\ndirect\n0.000000 0.500000 0.336778 Mg\n0.000000 0.000000 0.987874 Ga\n0.500000 0.000000 0.506615 Ga\n0.500000 0.500000 0.835399 Ga\n",
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"formula_full": "Mg1 Ga3",
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"updated_at": "2021-11-28T01:34:58.544000Z",
"spacegroup": 25
},
{
"id": "mp-1094176",
"created_at": "2022-09-04T14:42:51.044078Z",
"structure_string": "La2 Mg4\n1.0\n1.717279 6.210483 0.000000\n-1.717279 6.210483 0.000000\n0.000000 2.009441 7.822708\nLa Mg\n2 4\ndirect\n0.643335 0.643335 0.454504 La\n0.356665 0.356665 0.545496 La\n0.315166 0.315166 0.114245 Mg\n0.022070 0.022070 0.180399 Mg\n0.977930 0.977930 0.819601 Mg\n0.684834 0.684834 0.885755 Mg\n",
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{
"id": "mp-1114169",
"created_at": "2022-09-04T14:43:53.357695Z",
"structure_string": "Rb2 Tl1 Ga1 I6\n1.0\n0.000000 6.135035 6.135035\n6.135035 0.000000 6.135035\n6.135035 6.135035 0.000000\nRb Tl Ga I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n0.769461 0.230539 0.230539 I\n0.230539 0.230539 0.769461 I\n0.230539 0.769461 0.769461 I\n0.230539 0.769461 0.230539 I\n0.769461 0.230539 0.769461 I\n0.769461 0.769461 0.230539 I\n",
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{
"id": "mp-1111269",
"created_at": "2022-09-04T14:39:45.430908Z",
"structure_string": "K2 Tl1 In1 I6\n1.0\n0.000000 6.254315 6.254315\n6.254315 0.000000 6.254315\n6.254315 6.254315 0.000000\nK Tl In I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n0.764403 0.235597 0.235597 I\n0.235597 0.235597 0.764403 I\n0.235597 0.764403 0.764403 I\n0.235597 0.764403 0.235597 I\n0.764403 0.235597 0.764403 I\n0.764403 0.764403 0.235597 I\n",
"nsites": 10,
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"elements": [
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"I"
],
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"density_atomic": 0.020437640327691433,
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"formula_full": "K2 Tl1 In1 I6",
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{
"id": "mp-581533",
"created_at": "2022-09-04T14:43:40.797493Z",
"structure_string": "Cs28 In16 Bi24\n1.0\n10.454297 0.000000 0.000000\n-0.045260 10.497275 0.000000\n-0.425700 -2.267037 28.152236\nCs In Bi\n28 16 24\ndirect\n0.518904 0.473928 0.075349 Cs\n0.625939 0.196591 0.178308 Cs\n0.954799 0.339722 0.088638 Cs\n0.301847 0.147983 0.419119 Cs\n0.481096 0.526072 0.924651 Cs\n0.817609 0.571956 0.329469 Cs\n0.374061 0.803409 0.821692 Cs\n0.747870 0.906758 0.256588 Cs\n0.982670 0.256503 0.249980 Cs\n0.252130 0.093242 0.743412 Cs\n0.100297 0.744700 0.584493 Cs\n0.881476 0.305785 0.768300 Cs\n0.182391 0.428044 0.670531 Cs\n0.899703 0.255300 0.415507 Cs\n0.716052 0.900807 0.911517 Cs\n0.653668 0.929540 0.415123 Cs\n0.832044 0.299894 0.928396 Cs\n0.045201 0.660278 0.911362 Cs\n0.017330 0.743497 0.750020 Cs\n0.283948 0.099193 0.088483 Cs\n0.520975 0.488392 0.425893 Cs\n0.675447 0.967175 0.737803 Cs\n0.479025 0.511608 0.574107 Cs\n0.346332 0.070460 0.584877 Cs\n0.698153 0.852017 0.580881 Cs\n0.324553 0.032825 0.262197 Cs\n0.118524 0.694215 0.231700 Cs\n0.167956 0.700106 0.071604 Cs\n0.772628 0.757209 0.128337 In\n0.450149 0.139553 0.958836 In\n0.901641 0.962962 0.035339 In\n0.499018 0.602479 0.204561 In\n0.965375 0.107715 0.537343 In\n0.134221 0.537628 0.454855 In\n0.549851 0.860447 0.041164 In\n0.865779 0.462372 0.545145 In\n0.500982 0.397521 0.795439 In\n0.235957 0.732215 0.364754 In\n0.416917 0.412612 0.294246 In\n0.098359 0.037038 0.964661 In\n0.764043 0.267785 0.635246 In\n0.034625 0.892285 0.462657 In\n0.227372 0.242791 0.871663 In\n0.583083 0.587388 0.705754 In\n0.610414 0.228202 0.322979 Bi\n0.863110 0.645438 0.466239 Bi\n0.308307 0.778812 0.470682 Bi\n0.304491 0.388578 0.191741 Bi\n0.777865 0.539731 0.189855 Bi\n0.222135 0.460269 0.810145 Bi\n0.479894 0.707419 0.308539 Bi\n0.389586 0.771798 0.677021 Bi\n0.215148 0.312488 0.979965 Bi\n0.136890 0.354562 0.533761 Bi\n0.655201 0.132501 0.037420 Bi\n0.025872 0.921990 0.356067 Bi\n0.974128 0.078010 0.643933 Bi\n0.165520 0.449323 0.351100 Bi\n0.784852 0.687512 0.020035 Bi\n0.834480 0.550677 0.648900 Bi\n0.695509 0.611422 0.808259 Bi\n0.344799 0.867499 0.962580 Bi\n0.520106 0.292581 0.691461 Bi\n0.509428 0.162449 0.854494 Bi\n0.039654 0.024958 0.859181 Bi\n0.490572 0.837551 0.145506 Bi\n0.960346 0.975042 0.140819 Bi\n0.691693 0.221188 0.529318 Bi\n",
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"elements": [
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"density": 5.683330061503176,
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"volume": 3089.47228200589,
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"formula_full": "Cs28 In16 Bi24",
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{
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"structure_string": "Cd1 Sn1 Au1\n1.0\n0.000000 3.368482 3.368482\n3.368482 0.000000 3.368482\n3.368482 3.368482 0.000000\nCd Sn Au\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Sn\n0.750000 0.750000 0.750000 Au\n",
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"elements": [
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],
"chemical_system": "Au-Cd-Sn",
"density": 9.299273601941351,
"density_atomic": 0.03924538249041936,
"volume": 76.44211394123536,
"volume_molar": 15.34483900486926,
"formula_full": "Cd1 Sn1 Au1",
"formula_reduced": "CdSnAu",
"formula_anonymous": "ABC",
"energy": -8.17436828,
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:32.256000Z",
"spacegroup": 216
},
{
"id": "mp-1023486",
"created_at": "2022-09-04T14:44:50.688242Z",
"structure_string": "Mg12 Mn2 Al2\n1.0\n4.873018 0.000000 0.000000\n0.000000 6.243623 0.000000\n0.000000 0.000000 10.740384\nMg Mn Al\n12 2 2\ndirect\n0.000000 0.257769 0.086760 Mg\n0.000000 0.742231 0.086760 Mg\n0.000000 0.500000 0.832603 Mg\n0.500000 0.245673 0.915043 Mg\n0.500000 0.754327 0.915043 Mg\n0.500000 0.500000 0.666495 Mg\n0.000000 0.757769 0.586760 Mg\n0.000000 0.242231 0.586760 Mg\n0.000000 0.000000 0.332603 Mg\n0.500000 0.745673 0.415043 Mg\n0.500000 0.254327 0.415043 Mg\n0.500000 0.000000 0.166495 Mg\n0.500000 0.500000 0.174461 Mn\n0.500000 0.000000 0.674461 Mn\n0.000000 0.500000 0.322836 Al\n0.000000 0.000000 0.822836 Al\n",
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"elements": [
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],
"chemical_system": "Al-Mg-Mn",
"density": 2.314633254877458,
"density_atomic": 0.0489627144098666,
"volume": 326.7792685279679,
"volume_molar": 12.29944220328288,
"formula_full": "Mg12 Mn2 Al2",
"formula_reduced": "Mg6MnAl",
"formula_anonymous": "ABC6",
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"updated_at": "2021-11-28T01:36:44.594000Z",
"spacegroup": 38
},
{
"id": "mp-1103536",
"created_at": "2022-09-04T14:44:10.424705Z",
"structure_string": "Y3 Zn11\n1.0\n-2.216598 4.415682 6.471994\n2.216598 -4.415682 6.471994\n2.216598 4.415682 -6.471994\nY Zn\n3 11\ndirect\n0.000000 0.000000 0.000000 Y\n0.293843 0.293843 0.000000 Y\n0.706157 0.706157 0.000000 Y\n0.500000 0.000000 0.500000 Zn\n0.682321 0.500000 0.182321 Zn\n0.317679 0.500000 0.817679 Zn\n0.701332 0.341630 0.359702 Zn\n0.298668 0.658370 0.640298 Zn\n0.981928 0.341630 0.640298 Zn\n0.018072 0.658370 0.359702 Zn\n0.418681 0.138404 0.280277 Zn\n0.581319 0.861596 0.719723 Zn\n0.858127 0.138404 0.719723 Zn\n0.141873 0.861596 0.280277 Zn\n",
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"nelements": 2,
"elements": [
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],
"chemical_system": "Y-Zn",
"density": 6.463065535982376,
"density_atomic": 0.05525164486150389,
"volume": 253.38612153706902,
"volume_molar": 10.899477789476407,
"formula_full": "Y3 Zn11",
"formula_reduced": "Y3Zn11",
"formula_anonymous": "A3B11",
"energy": -38.14404975,
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"energy_uncorrected": -38.14404975,
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"total_magnetization": 0.0045839,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:32.012000Z",
"spacegroup": 71
}
]
}