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{
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"results": [
{
"id": "mp-672339",
"created_at": "2022-09-04T14:46:54.391862Z",
"structure_string": "Ag2 Hg7 P8 I6\n1.0\n5.615503 6.718143 0.000000\n-5.615503 6.718143 0.000000\n0.000000 1.874693 8.325103\nAg Hg P I\n2 7 8 6\ndirect\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.364502 0.729593 0.234506 Hg\n0.727963 0.727963 0.867762 Hg\n0.635498 0.270407 0.765494 Hg\n0.272037 0.272037 0.132238 Hg\n0.270407 0.635498 0.765494 Hg\n0.000000 0.000000 0.000000 Hg\n0.729593 0.364502 0.234506 Hg\n0.236402 0.921504 0.421023 P\n0.438412 0.438412 0.934327 P\n0.561588 0.561588 0.065673 P\n0.085273 0.085273 0.257768 P\n0.078496 0.763598 0.578977 P\n0.921504 0.236402 0.421023 P\n0.763598 0.078496 0.578977 P\n0.914727 0.914727 0.742232 P\n0.962415 0.359922 0.851739 I\n0.646234 0.646234 0.535070 I\n0.037585 0.640078 0.148261 I\n0.359922 0.962415 0.851739 I\n0.640078 0.037585 0.148261 I\n0.353766 0.353766 0.464930 I\n",
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{
"id": "mp-31104",
"created_at": "2022-09-04T14:41:04.047982Z",
"structure_string": "K16 Bi16\n1.0\n7.415831 0.000000 0.000000\n0.000000 13.721500 0.000000\n0.000000 5.779193 13.370590\nK Bi\n16 16\ndirect\n0.860525 0.445999 0.848755 K\n0.360525 0.054001 0.151245 K\n0.139475 0.554001 0.151245 K\n0.639475 0.945999 0.848755 K\n0.572181 0.308232 0.653845 K\n0.072181 0.191768 0.346155 K\n0.427819 0.691768 0.346155 K\n0.927819 0.808232 0.653845 K\n0.801312 0.460922 0.395288 K\n0.301312 0.039078 0.604712 K\n0.198688 0.539078 0.604712 K\n0.698688 0.960922 0.395288 K\n0.617750 0.352710 0.120133 K\n0.117750 0.147290 0.879867 K\n0.382250 0.647290 0.879867 K\n0.882250 0.852710 0.120133 K\n0.797301 0.113020 0.578488 Bi\n0.297301 0.386980 0.421512 Bi\n0.202699 0.886980 0.421512 Bi\n0.702699 0.613020 0.578488 Bi\n0.564299 0.226697 0.392959 Bi\n0.064299 0.273303 0.607041 Bi\n0.435701 0.773303 0.607041 Bi\n0.935701 0.726697 0.392959 Bi\n0.871910 0.129146 0.110458 Bi\n0.371910 0.370854 0.889542 Bi\n0.128090 0.870854 0.889542 Bi\n0.628090 0.629146 0.110458 Bi\n0.128898 0.316782 0.073761 Bi\n0.628898 0.183218 0.926239 Bi\n0.871102 0.683218 0.926239 Bi\n0.371102 0.816782 0.073761 Bi\n",
"nsites": 32,
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"elements": [
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"density": 4.8444733577709425,
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"volume": 1360.542102370894,
"volume_molar": 25.604300157449547,
"formula_full": "K16 Bi16",
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"spacegroup": 14
},
{
"id": "mp-1100468",
"created_at": "2022-09-04T14:45:27.514267Z",
"structure_string": "Mg8 Si4\n1.0\n7.893619 0.000000 0.000000\n0.000000 4.671683 0.000000\n0.000000 0.072675 6.131747\nMg Si\n8 4\ndirect\n0.414379 0.241541 0.756189 Mg\n0.747570 0.260567 0.498659 Mg\n0.585621 0.758459 0.243811 Mg\n0.247570 0.739433 0.001341 Mg\n0.252430 0.739433 0.501341 Mg\n0.914379 0.758459 0.743811 Mg\n0.752430 0.260567 0.998659 Mg\n0.085621 0.241541 0.256189 Mg\n0.078479 0.255447 0.753934 Si\n0.421521 0.255447 0.253934 Si\n0.921521 0.744553 0.246066 Si\n0.578479 0.744553 0.746066 Si\n",
"nsites": 12,
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"density": 2.2529171357095628,
"density_atomic": 0.05306980507284369,
"volume": 226.1172805049648,
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"formula_full": "Mg8 Si4",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy": -34.19991442,
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"updated_at": "2021-11-28T01:36:57.247000Z",
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},
{
"id": "mp-1112131",
"created_at": "2022-09-04T14:39:59.623687Z",
"structure_string": "Cs2 Rb1 As1 I6\n1.0\n0.000000 6.368682 6.368682\n6.368682 0.000000 6.368682\n6.368682 6.368682 0.000000\nCs Rb As I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 As\n0.773808 0.226192 0.226192 I\n0.226192 0.226192 0.773808 I\n0.226192 0.773808 0.773808 I\n0.226192 0.773808 0.226192 I\n0.773808 0.226192 0.773808 I\n0.773808 0.773808 0.226192 I\n",
"nsites": 10,
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"elements": [
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"As",
"I"
],
"chemical_system": "As-Cs-I-Rb",
"density": 3.8172492340089135,
"density_atomic": 0.019356253954182404,
"volume": 516.6288902631002,
"volume_molar": 31.11211897846983,
"formula_full": "Cs2 Rb1 As1 I6",
"formula_reduced": "Cs2RbAsI6",
"formula_anonymous": "ABC2D6",
"energy": -28.49855636,
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"updated_at": "2021-11-28T01:35:06.730000Z",
"spacegroup": 225
},
{
"id": "mp-571637",
"created_at": "2022-09-04T14:45:53.062341Z",
"structure_string": "K24 Cd24 Te36\n1.0\n16.051397 0.000000 0.000000\n0.000000 13.497927 0.000000\n0.000000 1.142194 14.522745\nK Cd Te\n24 24 36\ndirect\n0.961341 0.142518 0.560648 K\n0.770281 0.733787 0.267993 K\n0.024577 0.642832 0.046457 K\n0.054917 0.980632 0.122588 K\n0.526492 0.474822 0.145234 K\n0.554917 0.019368 0.377412 K\n0.473508 0.525178 0.854766 K\n0.026492 0.525178 0.354766 K\n0.524577 0.357168 0.453543 K\n0.529618 0.247684 0.766834 K\n0.229719 0.266213 0.732007 K\n0.538659 0.142518 0.060648 K\n0.475423 0.642832 0.546457 K\n0.029618 0.752316 0.733166 K\n0.945083 0.019368 0.877412 K\n0.270281 0.266213 0.232007 K\n0.970382 0.247684 0.266834 K\n0.975423 0.357168 0.953543 K\n0.729719 0.733787 0.767993 K\n0.470382 0.752316 0.233166 K\n0.973508 0.474822 0.645234 K\n0.461341 0.857482 0.939352 K\n0.445083 0.980632 0.622588 K\n0.038659 0.857482 0.439352 K\n0.246274 0.681177 0.886525 Cd\n0.791308 0.631373 0.019336 Cd\n0.291308 0.368627 0.480664 Cd\n0.253726 0.681177 0.386525 Cd\n0.750225 0.177557 0.904537 Cd\n0.729844 0.442778 0.318682 Cd\n0.309447 0.137655 0.990876 Cd\n0.270156 0.557222 0.681318 Cd\n0.770156 0.442778 0.818682 Cd\n0.290707 0.008395 0.322831 Cd\n0.229844 0.557222 0.181318 Cd\n0.209293 0.008395 0.822831 Cd\n0.249775 0.822443 0.095463 Cd\n0.749775 0.177557 0.404537 Cd\n0.809447 0.862345 0.509124 Cd\n0.190553 0.137655 0.490876 Cd\n0.709293 0.991605 0.677169 Cd\n0.790707 0.991605 0.177169 Cd\n0.746274 0.318823 0.613475 Cd\n0.250225 0.822443 0.595463 Cd\n0.708692 0.631373 0.519336 Cd\n0.208692 0.368627 0.980664 Cd\n0.753726 0.318823 0.113475 Cd\n0.690553 0.862345 0.009124 Cd\n0.155085 0.509946 0.832499 Te\n0.122625 0.067497 0.325307 Te\n0.861530 0.262249 0.761505 Te\n0.888969 0.584724 0.862322 Te\n0.879462 0.670274 0.483067 Te\n0.139885 0.843920 0.932908 Te\n0.620538 0.670274 0.983067 Te\n0.111031 0.415276 0.137678 Te\n0.860115 0.156080 0.067092 Te\n0.634393 0.835430 0.560053 Te\n0.344915 0.509946 0.332499 Te\n0.638470 0.262249 0.261505 Te\n0.611031 0.584724 0.362322 Te\n0.347614 0.648135 0.050448 Te\n0.844915 0.490054 0.167501 Te\n0.365607 0.164570 0.439947 Te\n0.648773 0.013574 0.862652 Te\n0.655085 0.490054 0.667501 Te\n0.865607 0.835430 0.060053 Te\n0.361530 0.737751 0.738495 Te\n0.388969 0.415276 0.637678 Te\n0.152386 0.648135 0.550448 Te\n0.877375 0.932503 0.674693 Te\n0.622625 0.932503 0.174693 Te\n0.377375 0.067497 0.825307 Te\n0.360115 0.843920 0.432908 Te\n0.379462 0.329726 0.016933 Te\n0.120538 0.329726 0.516933 Te\n0.652386 0.351865 0.949552 Te\n0.351227 0.986426 0.137348 Te\n0.847614 0.351865 0.449552 Te\n0.639885 0.156080 0.567092 Te\n0.148773 0.986426 0.637348 Te\n0.134393 0.164570 0.939947 Te\n0.138470 0.737751 0.238495 Te\n0.851227 0.013574 0.362652 Te\n",
"nsites": 84,
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"elements": [
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"Cd",
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],
"chemical_system": "Cd-K-Te",
"density": 4.343211511741299,
"density_atomic": 0.026696274726637742,
"volume": 3146.506426838055,
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"formula_full": "K24 Cd24 Te36",
"formula_reduced": "K2Cd2Te3",
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"energy": -239.32810235,
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"spacegroup": 14
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{
"id": "mp-722281",
"created_at": "2022-09-04T14:44:05.765662Z",
"structure_string": "Pb1 N2 Cl6\n1.0\n0.000000 5.071977 5.071977\n5.071977 0.000000 5.071977\n5.071977 5.071977 0.000000\nPb N Cl\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Pb\n0.750000 0.750000 0.750000 N\n0.250000 0.250000 0.250000 N\n0.746725 0.746725 0.253275 Cl\n0.253275 0.746725 0.253275 Cl\n0.746725 0.253275 0.253275 Cl\n0.253275 0.253275 0.746725 Cl\n0.746725 0.253275 0.746725 Cl\n0.253275 0.746725 0.746725 Cl\n",
"nsites": 9,
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"elements": [
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"N",
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],
"chemical_system": "Cl-N-Pb",
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"volume": 260.95271643670657,
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"formula_full": "Pb1 N2 Cl6",
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"energy": -25.64205319,
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"spacegroup": 225
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{
"id": "mp-989388",
"created_at": "2022-09-04T14:39:33.787792Z",
"structure_string": "Rb2 S1 Cl6 F1\n1.0\n0.000000 5.019538 5.019538\n5.019538 0.000000 5.019538\n5.019538 5.019538 0.000000\nRb S Cl F\n2 1 6 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 S\n0.229588 0.770412 0.770412 Cl\n0.229588 0.770412 0.229588 Cl\n0.770412 0.229588 0.770412 Cl\n0.770412 0.770412 0.229588 Cl\n0.229588 0.229588 0.770412 Cl\n0.770412 0.229588 0.229588 Cl\n0.500000 0.500000 0.500000 F\n",
"nsites": 10,
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"elements": [
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],
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"density": 2.8538719957964522,
"density_atomic": 0.03953472891360699,
"volume": 252.94216691993603,
"volume_molar": 15.232533333312707,
"formula_full": "Rb2 S1 Cl6 F1",
"formula_reduced": "Rb2SCl6F",
"formula_anonymous": "ABC2D6",
"energy": -28.48988542,
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{
"id": "mp-1094250",
"created_at": "2022-09-04T14:40:17.995634Z",
"structure_string": "Mg3 Sn3\n1.0\n1.643635 6.636565 0.000000\n-1.643635 6.636565 0.000000\n0.000000 1.924735 6.814471\nMg Sn\n3 3\ndirect\n0.613582 0.613582 0.279014 Mg\n0.327993 0.327993 0.335656 Mg\n0.278041 0.278041 0.936956 Mg\n0.994204 0.994204 0.017018 Sn\n0.943872 0.943872 0.601129 Sn\n0.675641 0.675641 0.663560 Sn\n",
"nsites": 6,
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"elements": [
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"spacegroup": 8
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{
"id": "mp-1185701",
"created_at": "2022-09-04T14:46:06.357350Z",
"structure_string": "Mg16 Al12 Re1\n1.0\n7.719300 -4.456740 3.151392\n-0.162744 8.443680 2.885632\n-7.393813 -4.080899 2.885632\nMg Al Re\n16 12 1\ndirect\n0.007403 0.359800 0.000000 Mg\n0.569629 0.259281 0.000000 Mg\n0.987178 0.000001 0.000001 Mg\n0.318822 0.597135 0.000001 Mg\n0.569629 0.000000 0.259281 Mg\n0.680063 0.673764 0.274231 Mg\n0.006299 0.600468 0.326236 Mg\n0.007403 0.000000 0.359800 Mg\n0.405833 0.725770 0.399533 Mg\n0.721688 0.402867 0.402867 Mg\n0.318822 0.000000 0.597135 Mg\n0.006299 0.326237 0.600467 Mg\n0.647603 0.640199 0.640198 Mg\n0.680063 0.274232 0.673764 Mg\n0.405833 0.399534 0.725770 Mg\n0.310348 0.740720 0.740720 Mg\n0.652698 0.806995 0.000000 Al\n0.811047 0.611546 0.000001 Al\n0.367414 0.362516 0.182273 Al\n0.185140 0.817726 0.180241 Al\n0.845702 0.193006 0.193005 Al\n0.367414 0.182273 0.362516 Al\n0.199501 0.388456 0.388456 Al\n0.811047 0.000000 0.611546 Al\n0.004899 0.819759 0.637486 Al\n0.652698 0.000000 0.806995 Al\n0.004899 0.637486 0.819759 Al\n0.185140 0.180242 0.817726 Al\n0.269497 0.999999 0.000000 Re\n",
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"elements": [
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"density": 2.6148438919719044,
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"volume": 570.818480538624,
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"formula_full": "Mg16 Al12 Re1",
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"spacegroup": 160
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{
"id": "mp-11831",
"created_at": "2022-09-04T14:47:27.589500Z",
"structure_string": "Yb2 Zn2 Sn2\n1.0\n2.330962 -4.037344 0.000000\n2.330962 4.037344 0.000000\n0.000000 0.000000 7.455995\nYb Zn Sn\n2 2 2\ndirect\n0.000000 0.000000 0.251831 Yb\n0.000000 0.000000 0.751831 Yb\n0.666667 0.333333 0.566106 Zn\n0.333333 0.666667 0.066106 Zn\n0.666667 0.333333 0.971763 Sn\n0.333333 0.666667 0.471763 Sn\n",
"nsites": 6,
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{
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{
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}