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{
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"results": [
{
"id": "mp-1112494",
"created_at": "2022-09-04T14:44:30.414270Z",
"structure_string": "K2 Nb1 Au1 F6\n1.0\n0.000000 5.073610 5.073610\n5.073610 0.000000 5.073610\n5.073610 5.073610 0.000000\nK Nb Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Au\n0.808931 0.191069 0.191069 F\n0.191069 0.191069 0.808931 F\n0.191069 0.808931 0.808931 F\n0.191069 0.808931 0.191069 F\n0.808931 0.191069 0.808931 F\n0.808931 0.808931 0.191069 F\n",
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{
"id": "mp-1038899",
"created_at": "2022-09-04T14:39:20.155152Z",
"structure_string": "Mg4 Bi2\n1.0\n1.683745 6.035169 0.000000\n-1.683745 6.035169 0.000000\n0.000000 1.452385 7.711491\nMg Bi\n4 2\ndirect\n0.998854 0.998854 0.999216 Mg\n0.340279 0.340279 0.327437 Mg\n0.662202 0.662202 0.671496 Mg\n0.277164 0.277164 0.944970 Mg\n0.628371 0.628371 0.255281 Bi\n0.926463 0.926463 0.634933 Bi\n",
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"spacegroup": 8
},
{
"id": "mp-974315",
"created_at": "2022-09-04T14:48:11.628164Z",
"structure_string": "Ru2 I2\n1.0\n2.014966 -3.490024 0.000000\n2.014966 3.490024 0.000000\n0.000000 0.000000 7.428975\nRu I\n2 2\ndirect\n0.666667 0.333333 0.865312 Ru\n0.333333 0.666667 0.365312 Ru\n0.666667 0.333333 0.509688 I\n0.333333 0.666667 0.009688 I\n",
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"volume": 104.48526015649091,
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"formula_full": "Ru2 I2",
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"energy": -18.88663231,
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"updated_at": "2021-11-28T01:38:43.480000Z",
"spacegroup": 186
},
{
"id": "mp-1094988",
"created_at": "2022-09-04T14:47:26.794307Z",
"structure_string": "Mg1 Sn3\n1.0\n3.338690 0.000000 0.000000\n0.000000 5.586139 0.000000\n0.000000 0.000000 5.602334\nMg Sn\n1 3\ndirect\n0.000000 0.336178 0.500000 Mg\n0.000000 0.006330 0.000000 Sn\n0.500000 0.494350 0.000000 Sn\n0.500000 0.829808 0.500000 Sn\n",
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"density": 6.046063876950094,
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"formula_full": "Mg1 Sn3",
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"formula_anonymous": "AB3",
"energy": -13.56848606,
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"updated_at": "2021-11-28T01:38:11.199000Z",
"spacegroup": 25
},
{
"id": "mp-1104158",
"created_at": "2022-09-04T14:48:05.855255Z",
"structure_string": "Pr9 Rh6\n1.0\n6.213265 -4.473960 0.000000\n6.213265 4.473960 0.000000\n2.991718 0.000000 7.047737\nPr Rh\n9 6\ndirect\n0.000000 0.000000 0.000000 Pr\n0.796615 0.796615 0.796615 Pr\n0.203385 0.203385 0.203385 Pr\n0.165269 0.392971 0.664013 Pr\n0.664013 0.165269 0.392971 Pr\n0.392971 0.664013 0.165269 Pr\n0.834731 0.607029 0.335987 Pr\n0.335987 0.834731 0.607029 Pr\n0.607029 0.335987 0.834731 Pr\n0.956441 0.163392 0.589525 Rh\n0.589525 0.956441 0.163392 Rh\n0.163392 0.589525 0.956441 Rh\n0.043559 0.836608 0.410475 Rh\n0.410475 0.043559 0.836608 Rh\n0.836608 0.410475 0.043559 Rh\n",
"nsites": 15,
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"elements": [
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],
"chemical_system": "Pr-Rh",
"density": 7.991115988709086,
"density_atomic": 0.0382824391030295,
"volume": 391.8245637283066,
"volume_molar": 15.730817839983018,
"formula_full": "Pr9 Rh6",
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"formula_anonymous": "A2B3",
"energy": -95.95122911,
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"updated_at": "2021-11-28T01:38:25.568000Z",
"spacegroup": 148
},
{
"id": "mp-1228012",
"created_at": "2022-09-04T14:45:20.646205Z",
"structure_string": "Bi38 S54 Br6\n1.0\n8.790574 -13.519950 0.000000\n8.790574 13.519950 0.000000\n-12.003184 0.000000 10.769717\nBi S Br\n38 54 6\ndirect\n0.369419 0.884146 0.494292 Bi\n0.704434 0.221545 0.830716 Bi\n0.039554 0.556346 0.164865 Bi\n0.221545 0.830716 0.704434 Bi\n0.556346 0.164865 0.039554 Bi\n0.884146 0.494292 0.369419 Bi\n0.164865 0.039554 0.556346 Bi\n0.494292 0.369419 0.884146 Bi\n0.830716 0.704434 0.221545 Bi\n0.968135 0.452497 0.842261 Bi\n0.297652 0.781826 0.173182 Bi\n0.631386 0.113746 0.505053 Bi\n0.113746 0.505053 0.631386 Bi\n0.452497 0.842261 0.968135 Bi\n0.781826 0.173182 0.297652 Bi\n0.173182 0.297652 0.781826 Bi\n0.505053 0.631386 0.113746 Bi\n0.842261 0.968135 0.452497 Bi\n0.154523 0.154523 0.154523 Bi\n0.649393 0.649393 0.649393 Bi\n0.694038 0.937473 0.642529 Bi\n0.356885 0.591396 0.300484 Bi\n0.015397 0.261714 0.966789 Bi\n0.591396 0.300484 0.356885 Bi\n0.261714 0.966789 0.015397 Bi\n0.937473 0.642529 0.694038 Bi\n0.966789 0.015397 0.261714 Bi\n0.642529 0.694038 0.937473 Bi\n0.300484 0.356885 0.591396 Bi\n0.973964 0.739623 0.030543 Bi\n0.646621 0.401028 0.695528 Bi\n0.320805 0.076649 0.371409 Bi\n0.076649 0.371409 0.320805 Bi\n0.739623 0.030543 0.973964 Bi\n0.401028 0.695528 0.646621 Bi\n0.695528 0.646621 0.401028 Bi\n0.371409 0.320805 0.076649 Bi\n0.030543 0.973964 0.739623 Bi\n0.239365 0.636229 0.374246 S\n0.572491 0.973172 0.708610 S\n0.905670 0.307417 0.043512 S\n0.973172 0.708610 0.572491 S\n0.307417 0.043512 0.905670 S\n0.636229 0.374246 0.239365 S\n0.043512 0.905670 0.307417 S\n0.374246 0.239365 0.636229 S\n0.708610 0.572491 0.973172 S\n0.093891 0.697007 0.959188 S\n0.431250 0.030455 0.294516 S\n0.765426 0.363431 0.627815 S\n0.363431 0.627815 0.765426 S\n0.697007 0.959188 0.093891 S\n0.030455 0.294516 0.431250 S\n0.294516 0.431250 0.030455 S\n0.627815 0.765426 0.363431 S\n0.959188 0.093891 0.697007 S\n0.145801 0.533309 0.080871 S\n0.476315 0.863999 0.410471 S\n0.810572 0.198750 0.746188 S\n0.198750 0.746188 0.810572 S\n0.533309 0.080871 0.145801 S\n0.863999 0.410471 0.476315 S\n0.410471 0.476315 0.863999 S\n0.746188 0.810572 0.198750 S\n0.080871 0.145801 0.533309 S\n0.191037 0.804485 0.256513 S\n0.525145 0.136410 0.589641 S\n0.859926 0.471307 0.924786 S\n0.136410 0.589641 0.525145 S\n0.471307 0.924786 0.859926 S\n0.804485 0.256513 0.191037 S\n0.924786 0.859926 0.471307 S\n0.256513 0.191037 0.804485 S\n0.589641 0.525145 0.136410 S\n0.516106 0.704810 0.539442 S\n0.851484 0.035777 0.872120 S\n0.180902 0.361371 0.201943 S\n0.035777 0.872120 0.851484 S\n0.361371 0.201943 0.180902 S\n0.704810 0.539442 0.516106 S\n0.201943 0.180902 0.361371 S\n0.539442 0.516106 0.704810 S\n0.872120 0.851484 0.035777 S\n0.814980 0.634112 0.793070 S\n0.155546 0.968390 0.133229 S\n0.488054 0.303644 0.467176 S\n0.303644 0.467176 0.488054 S\n0.634112 0.793070 0.814980 S\n0.968390 0.133229 0.155546 S\n0.133229 0.155546 0.968390 S\n0.467176 0.488054 0.303644 S\n0.793070 0.814980 0.634112 S\n0.252136 0.584995 0.918766 Br\n0.584995 0.918766 0.252136 Br\n0.918766 0.252136 0.584995 Br\n0.086813 0.753363 0.420219 Br\n0.420219 0.086813 0.753363 Br\n0.753363 0.420219 0.086813 Br\n",
"nsites": 98,
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"elements": [
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"S",
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],
"chemical_system": "Bi-Br-S",
"density": 6.585400519777913,
"density_atomic": 0.03828242752478361,
"volume": 2559.9212572545434,
"volume_molar": 15.730822597656156,
"formula_full": "Bi38 S54 Br6",
"formula_reduced": "Bi19(S9Br)3",
"formula_anonymous": "A3B19C27",
"energy": -447.4466746999999,
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"updated_at": "2021-11-28T01:37:02.431000Z",
"spacegroup": 146
},
{
"id": "mp-864796",
"created_at": "2022-09-04T14:41:30.209958Z",
"structure_string": "Eu1 Cd1 Hg2\n1.0\n0.000000 3.738329 3.738329\n3.738329 0.000000 3.738329\n3.738329 3.738329 0.000000\nEu Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"density": 10.577194558149335,
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"volume": 104.48707097095635,
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"formula_full": "Eu1 Cd1 Hg2",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:24.531000Z",
"spacegroup": 225
},
{
"id": "mp-540672",
"created_at": "2022-09-04T14:46:08.190609Z",
"structure_string": "Ti14 Br32\n1.0\n7.279963 0.000000 0.000000\n0.000000 10.666844 0.000000\n0.000000 0.000000 15.473740\nTi Br\n14 32\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.500000 0.540037 0.764012 Ti\n0.500000 0.459963 0.235988 Ti\n0.000000 0.040037 0.735988 Ti\n0.000000 0.959963 0.264012 Ti\n0.697536 0.743055 0.860853 Ti\n0.697536 0.256945 0.139147 Ti\n0.802464 0.243055 0.639147 Ti\n0.802464 0.756945 0.360853 Ti\n0.302464 0.256945 0.139147 Ti\n0.302464 0.743055 0.860853 Ti\n0.197536 0.756945 0.360853 Ti\n0.197536 0.243055 0.639147 Ti\n0.000000 0.757908 0.980644 Br\n0.000000 0.242092 0.019356 Br\n0.500000 0.257908 0.519356 Br\n0.500000 0.742092 0.480644 Br\n0.500000 0.756299 0.992541 Br\n0.500000 0.243701 0.007459 Br\n0.000000 0.256299 0.507459 Br\n0.000000 0.743701 0.492541 Br\n0.000000 0.772952 0.752438 Br\n0.000000 0.227048 0.247562 Br\n0.500000 0.272952 0.747562 Br\n0.500000 0.727048 0.252438 Br\n0.500000 0.769950 0.726833 Br\n0.500000 0.230050 0.273167 Br\n0.000000 0.269950 0.773167 Br\n0.000000 0.730050 0.226833 Br\n0.752906 0.003374 0.871224 Br\n0.752906 0.996626 0.128776 Br\n0.747094 0.503374 0.628776 Br\n0.747094 0.496626 0.371224 Br\n0.247094 0.996626 0.128776 Br\n0.247094 0.003374 0.871224 Br\n0.252906 0.496626 0.371224 Br\n0.252906 0.503374 0.628776 Br\n0.749580 0.511800 0.874031 Br\n0.749580 0.488200 0.125969 Br\n0.750420 0.011800 0.625969 Br\n0.750420 0.988200 0.374031 Br\n0.250420 0.488200 0.125969 Br\n0.250420 0.511800 0.874031 Br\n0.249580 0.988200 0.374031 Br\n0.249580 0.011800 0.625969 Br\n",
"nsites": 46,
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"elements": [
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"Br"
],
"chemical_system": "Br-Ti",
"density": 4.459606442131166,
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"volume": 1201.6013594544415,
"volume_molar": 15.730896791395661,
"formula_full": "Ti14 Br32",
"formula_reduced": "Ti7Br16",
"formula_anonymous": "A7B16",
"energy": -233.34501820000003,
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"updated_at": "2021-11-28T01:37:26.088000Z",
"spacegroup": 58
},
{
"id": "mp-624200",
"created_at": "2022-09-04T14:43:49.164301Z",
"structure_string": "Re12 Se16 Br4\n1.0\n12.091682 0.000000 0.000000\n0.000000 6.705804 0.000000\n0.000000 4.785163 10.309077\nRe Se Br\n12 16 4\ndirect\n0.020023 0.696789 0.062583 Re\n0.065213 0.036483 0.841772 Re\n0.858676 0.971059 0.938591 Re\n0.565213 0.963517 0.658228 Re\n0.979977 0.303211 0.937417 Re\n0.641324 0.971059 0.438591 Re\n0.141324 0.028941 0.061409 Re\n0.520023 0.303211 0.437417 Re\n0.479977 0.696789 0.562583 Re\n0.434787 0.036483 0.341772 Re\n0.358676 0.028941 0.561409 Re\n0.934787 0.963517 0.158228 Re\n0.409020 0.699083 0.771541 Se\n0.440999 0.264657 0.666443 Se\n0.909020 0.300917 0.728459 Se\n0.826187 0.644268 0.155740 Se\n0.173813 0.355732 0.844260 Se\n0.326187 0.355732 0.344260 Se\n0.285309 0.768813 0.472070 Se\n0.090980 0.699083 0.271541 Se\n0.785309 0.231187 0.027930 Se\n0.559001 0.735343 0.333557 Se\n0.940999 0.735343 0.833557 Se\n0.214691 0.768813 0.972070 Se\n0.673813 0.644268 0.655740 Se\n0.714691 0.231187 0.527930 Se\n0.590980 0.300917 0.228459 Se\n0.059001 0.264657 0.166443 Se\n0.648479 0.904341 0.887105 Br\n0.148479 0.095659 0.612895 Br\n0.851521 0.904341 0.387105 Br\n0.351521 0.095659 0.112895 Br\n",
"nsites": 32,
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"elements": [
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],
"chemical_system": "Br-Re-Se",
"density": 7.58343967725156,
"density_atomic": 0.03828182399577515,
"volume": 835.9058336282926,
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"formula_full": "Re12 Se16 Br4",
"formula_reduced": "Re3Se4Br",
"formula_anonymous": "AB3C4",
"energy": -236.09539174,
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"spacegroup": 14
},
{
"id": "mp-1038860",
"created_at": "2022-09-04T14:48:03.337854Z",
"structure_string": "Ce4 Mg2\n1.0\n1.603818 6.355039 0.000000\n-1.603818 6.355039 0.000000\n0.000000 2.421322 7.689209\nCe Mg\n4 2\ndirect\n0.979794 0.979794 0.021572 Ce\n0.317638 0.317638 0.348183 Ce\n0.684589 0.684589 0.672212 Ce\n0.284272 0.284272 0.920847 Ce\n0.603001 0.603001 0.278229 Mg\n0.964038 0.964038 0.592290 Mg\n",
"nsites": 6,
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"elements": [
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}