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{
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"results": [
{
"id": "mp-1235436",
"created_at": "2022-09-04T14:41:09.479657Z",
"structure_string": "Li1 Sc4 Si4 O14\n1.0\n5.815617 -0.006337 3.356551\n1.932564 5.485129 3.356551\n0.000000 0.000000 6.713101\nLi Sc Si O\n1 4 4 14\ndirect\n0.626387 0.626387 0.623613 Li\n0.999977 0.499737 0.000143 Sc\n0.499737 0.999977 0.000143 Sc\n0.999970 0.999970 0.499581 Sc\n0.999970 0.999970 0.000479 Sc\n0.493273 0.019869 0.493429 Si\n0.019869 0.493273 0.493429 Si\n0.493838 0.493838 0.018545 Si\n0.493838 0.493838 0.493780 Si\n0.427771 0.822773 0.822223 O\n0.179650 0.570545 0.570780 O\n0.822773 0.427771 0.822223 O\n0.823480 0.823480 0.426520 O\n0.427816 0.427816 0.822184 O\n0.427771 0.822773 0.427232 O\n0.179650 0.570545 0.179024 O\n0.570545 0.179650 0.570780 O\n0.125462 0.125462 0.124538 O\n0.874800 0.874800 0.875200 O\n0.822773 0.427771 0.427232 O\n0.570978 0.570978 0.179022 O\n0.179126 0.179126 0.570874 O\n0.570545 0.179650 0.179024 O\n",
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"formula_full": "Li1 Sc4 Si4 O14",
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{
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"structure_string": "Hf1 Mg14 Co1\n1.0\n6.354302 0.151098 0.000000\n-3.046297 5.276340 0.000000\n0.000000 0.000000 10.081022\nHf Mg Co\n1 14 1\ndirect\n0.139130 0.819564 0.125000 Hf\n0.161794 0.330896 0.625000 Mg\n0.168659 0.834329 0.625000 Mg\n0.640729 0.331355 0.125000 Mg\n0.661653 0.327108 0.625000 Mg\n0.640729 0.809373 0.125000 Mg\n0.661653 0.834544 0.625000 Mg\n0.335139 0.169996 0.364373 Mg\n0.335139 0.169996 0.885627 Mg\n0.335139 0.665145 0.364373 Mg\n0.335139 0.665145 0.885627 Mg\n0.864440 0.182221 0.347329 Mg\n0.864440 0.182221 0.902671 Mg\n0.841605 0.670803 0.380858 Mg\n0.841605 0.670803 0.869142 Mg\n0.173007 0.336503 0.125000 Co\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.799750993305148,
"density_atomic": 0.046697436567062336,
"volume": 342.63122724140004,
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"formula_full": "Hf1 Mg14 Co1",
"formula_reduced": "HfMg14Co",
"formula_anonymous": "ABC14",
"energy": -38.09501081,
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"updated_at": "2021-11-28T01:35:12.974000Z",
"spacegroup": 38
},
{
"id": "mp-1195497",
"created_at": "2022-09-04T14:41:09.464323Z",
"structure_string": "Cd4 H28 C12 N4 O24\n1.0\n7.124428 0.000000 0.000000\n0.000000 9.731254 0.000000\n0.000000 0.000000 11.132104\nCd H C N O\n4 28 12 4 24\ndirect\n0.601136 0.004612 0.968055 Cd\n0.398864 0.995388 0.468055 Cd\n0.898864 0.504612 0.468055 Cd\n0.101136 0.495388 0.968055 Cd\n0.541937 0.259935 0.814548 H\n0.458063 0.740065 0.314548 H\n0.958063 0.759935 0.314548 H\n0.041937 0.240065 0.814548 H\n0.627007 0.727553 0.090757 H\n0.372993 0.272447 0.590757 H\n0.872993 0.227553 0.590757 H\n0.127007 0.772447 0.090757 H\n0.263350 0.539938 0.667628 H\n0.736650 0.460062 0.167628 H\n0.236650 0.039938 0.167628 H\n0.763350 0.960062 0.667628 H\n0.311131 0.696592 0.616145 H\n0.688869 0.303408 0.116145 H\n0.188869 0.196592 0.116145 H\n0.811131 0.803408 0.616145 H\n0.779926 0.016611 0.328345 H\n0.220074 0.983389 0.828345 H\n0.720074 0.516611 0.828345 H\n0.279926 0.483389 0.328345 H\n0.491419 0.592673 0.662614 H\n0.508581 0.407327 0.162614 H\n0.008581 0.092673 0.162614 H\n0.991419 0.907327 0.662614 H\n0.339216 0.662875 0.763533 H\n0.660784 0.337125 0.263533 H\n0.160784 0.162875 0.263533 H\n0.839216 0.837125 0.763533 H\n0.684608 0.031066 0.250770 C\n0.315392 0.968934 0.750770 C\n0.815392 0.531066 0.750770 C\n0.184608 0.468934 0.250770 C\n0.743486 0.707023 0.026743 C\n0.256514 0.292977 0.526743 C\n0.756514 0.207023 0.526743 C\n0.243486 0.792977 0.026743 C\n0.439187 0.290579 0.884747 C\n0.560813 0.709421 0.384747 C\n0.060813 0.790579 0.384747 C\n0.939187 0.209421 0.884747 C\n0.352243 0.623638 0.677804 N\n0.647757 0.376362 0.177804 N\n0.147757 0.123638 0.177804 N\n0.852243 0.876362 0.677804 N\n0.423618 0.212269 0.975915 O\n0.576382 0.787731 0.475915 O\n0.076382 0.712269 0.475915 O\n0.923618 0.287731 0.975915 O\n0.772921 0.794593 0.944555 O\n0.227079 0.205407 0.444555 O\n0.727079 0.294593 0.444555 O\n0.272921 0.705407 0.944555 O\n0.764554 0.044604 0.148276 O\n0.235446 0.955396 0.648276 O\n0.735446 0.544604 0.648276 O\n0.264554 0.455396 0.148276 O\n0.348800 0.400031 0.864335 O\n0.651200 0.599969 0.364335 O\n0.151200 0.900031 0.364335 O\n0.848800 0.099969 0.864335 O\n0.489845 0.966759 0.769307 O\n0.510155 0.033241 0.269307 O\n0.010155 0.466759 0.269307 O\n0.989845 0.533241 0.769307 O\n0.332753 0.903882 0.045822 O\n0.667247 0.096118 0.545822 O\n0.167247 0.403882 0.545822 O\n0.832753 0.596118 0.045822 O\n",
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"C",
"N",
"O"
],
"chemical_system": "C-Cd-H-N-O",
"density": 2.2849697797016693,
"density_atomic": 0.09329028743550008,
"volume": 771.7845231185512,
"volume_molar": 6.45527088140193,
"formula_full": "Cd4 H28 C12 N4 O24",
"formula_reduced": "CdH7C3NO6",
"formula_anonymous": "ABC3D6E7",
"energy": -440.04408539,
"energy_per_atom": -6.111723408194445,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:23.135000Z",
"spacegroup": 33
},
{
"id": "mp-28734",
"created_at": "2022-09-04T14:41:09.468163Z",
"structure_string": "Zr6 Co1 Cl15\n1.0\n-5.203389 5.203389 5.203389\n5.203389 -5.203389 5.203389\n5.203389 5.203389 -5.203389\nZr Co Cl\n6 1 15\ndirect\n0.238362 0.238362 0.000000 Zr\n0.761638 0.761638 0.000000 Zr\n0.761638 0.000000 0.761638 Zr\n0.000000 0.761638 0.761638 Zr\n0.000000 0.238362 0.238362 Zr\n0.238362 0.000000 0.238362 Zr\n0.000000 0.000000 0.000000 Co\n0.754585 0.509170 0.754585 Cl\n0.500000 0.500000 0.000000 Cl\n0.000000 0.500000 0.500000 Cl\n0.500000 0.000000 0.500000 Cl\n0.245415 0.000000 0.754585 Cl\n0.000000 0.245415 0.754585 Cl\n0.754585 0.000000 0.245415 Cl\n0.509170 0.754585 0.754585 Cl\n0.000000 0.754585 0.245415 Cl\n0.245415 0.245415 0.490830 Cl\n0.754585 0.245415 0.000000 Cl\n0.490830 0.245415 0.245415 Cl\n0.245415 0.490830 0.245415 Cl\n0.754585 0.754585 0.509170 Cl\n0.245415 0.754585 0.000000 Cl\n",
"nsites": 22,
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"elements": [
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],
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"density": 3.353513318764718,
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"volume": 563.5323795597253,
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"formula_full": "Zr6 Co1 Cl15",
"formula_reduced": "Zr6CoCl15",
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"spacegroup": 229
},
{
"id": "mp-1193410",
"created_at": "2022-09-04T14:41:09.468831Z",
"structure_string": "Ba4 Dy8 S16\n1.0\n4.063684 0.000000 0.000000\n0.000000 12.346092 0.000000\n0.000000 0.000000 14.589096\nBa Dy S\n4 8 16\ndirect\n0.250000 0.758999 0.337182 Ba\n0.250000 0.258999 0.162818 Ba\n0.750000 0.241001 0.662818 Ba\n0.750000 0.741001 0.837182 Ba\n0.250000 0.435285 0.390896 Dy\n0.250000 0.935285 0.109104 Dy\n0.750000 0.564715 0.609104 Dy\n0.750000 0.064715 0.890896 Dy\n0.250000 0.419547 0.898959 Dy\n0.250000 0.919547 0.601041 Dy\n0.750000 0.580453 0.101041 Dy\n0.750000 0.080453 0.398959 Dy\n0.250000 0.205267 0.837394 S\n0.250000 0.705267 0.662606 S\n0.750000 0.794733 0.162606 S\n0.750000 0.294733 0.337394 S\n0.250000 0.122781 0.524269 S\n0.250000 0.622781 0.975731 S\n0.750000 0.877219 0.475731 S\n0.750000 0.377219 0.024269 S\n0.250000 0.525054 0.216497 S\n0.250000 0.025054 0.283503 S\n0.750000 0.474946 0.783503 S\n0.750000 0.974946 0.716497 S\n0.250000 0.418100 0.576295 S\n0.250000 0.918100 0.923705 S\n0.750000 0.581900 0.423705 S\n0.750000 0.081900 0.076295 S\n",
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{
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"structure_string": "Cs1 Gd1 S2\n1.0\n8.146534 -2.080444 0.000000\n8.146534 2.080444 0.000000\n7.615235 0.000000 3.564051\nCs Gd S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Gd\n0.772568 0.772568 0.772568 S\n0.227432 0.227432 0.227432 S\n",
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{
"id": "mp-759523",
"created_at": "2022-09-04T14:41:09.478489Z",
"structure_string": "Li4 V2 Fe2 P8 O28\n1.0\n8.237392 0.000000 0.000000\n0.000000 7.175169 0.000000\n0.000000 3.575868 9.101659\nLi V Fe P O\n4 2 2 8 28\ndirect\n0.362727 0.575740 0.750791 Li\n0.861150 0.926510 0.748981 Li\n0.361150 0.073490 0.251019 Li\n0.862727 0.424260 0.249209 Li\n0.999665 0.527829 0.742832 V\n0.499665 0.472171 0.257168 V\n0.499812 0.973726 0.758391 Fe\n0.999812 0.026274 0.241609 Fe\n0.782474 0.149430 0.937024 P\n0.679872 0.539629 0.938583 P\n0.180801 0.961746 0.560891 P\n0.784658 0.651795 0.435329 P\n0.284658 0.348205 0.564671 P\n0.680801 0.038254 0.439109 P\n0.179872 0.460371 0.061417 P\n0.282474 0.850570 0.062976 P\n0.651657 0.326056 0.921247 O\n0.932605 0.239361 0.842519 O\n0.178178 0.497578 0.896513 O\n0.843968 0.623129 0.870476 O\n0.537782 0.666042 0.852374 O\n0.323193 0.952962 0.900963 O\n0.693075 0.008741 0.876186 O\n0.198195 0.490481 0.624677 O\n0.825304 0.550932 0.597863 O\n0.038736 0.834529 0.648356 O\n0.346128 0.879046 0.629575 O\n0.679047 0.002919 0.603499 O\n0.434192 0.255824 0.658510 O\n0.152361 0.174397 0.579017 O\n0.652361 0.825603 0.420983 O\n0.934192 0.744176 0.341490 O\n0.179047 0.997081 0.396501 O\n0.846128 0.120954 0.370425 O\n0.538736 0.165471 0.351644 O\n0.325304 0.449068 0.402137 O\n0.698195 0.509519 0.375323 O\n0.193075 0.991259 0.123814 O\n0.823193 0.047038 0.099037 O\n0.037782 0.333958 0.147626 O\n0.343968 0.376871 0.129524 O\n0.678178 0.502422 0.103487 O\n0.432605 0.760639 0.157481 O\n0.151657 0.673944 0.078753 O\n",
"nsites": 44,
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"formula_full": "Li4 V2 Fe2 P8 O28",
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{
"id": "mp-758427",
"created_at": "2022-09-04T14:41:09.588917Z",
"structure_string": "Li4 Cu6 C6 O18\n1.0\n6.241909 0.000000 0.000000\n0.000000 8.190346 0.000000\n0.000000 4.075815 7.121801\nLi Cu C O\n4 6 6 18\ndirect\n0.000000 0.675136 0.027149 Li\n0.500000 0.027943 0.296806 Li\n0.500000 0.297631 0.675093 Li\n0.000000 0.295957 0.676231 Li\n0.248076 0.978049 0.655437 Cu\n0.751924 0.978049 0.655437 Cu\n0.752556 0.664041 0.355316 Cu\n0.247444 0.664041 0.355316 Cu\n0.254394 0.361586 0.988030 Cu\n0.745606 0.361586 0.988030 Cu\n0.000000 0.662330 0.672018 C\n0.500000 0.663934 0.664480 C\n0.250018 0.001687 0.996919 C\n0.749982 0.001687 0.996919 C\n0.249995 0.333858 0.335007 C\n0.750005 0.333858 0.335007 C\n0.731576 0.934095 0.175220 O\n0.268424 0.934095 0.175220 O\n0.000000 0.843419 0.587333 O\n0.500000 0.848639 0.575620 O\n0.000000 0.573534 0.576046 O\n0.500000 0.578348 0.564543 O\n0.772294 0.892843 0.926260 O\n0.227706 0.892843 0.926260 O\n0.000000 0.563723 0.856268 O\n0.500000 0.568425 0.844557 O\n0.253531 0.185466 0.884259 O\n0.746469 0.185466 0.884259 O\n0.230811 0.512766 0.227317 O\n0.769189 0.512766 0.227317 O\n0.266293 0.223403 0.266247 O\n0.733707 0.223403 0.266247 O\n0.252636 0.262342 0.518178 O\n0.747364 0.262342 0.518178 O\n",
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"formula_full": "Li4 Cu6 C6 O18",
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},
{
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