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{
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"results": [
{
"id": "mp-1188009",
"created_at": "2022-09-04T14:40:14.688541Z",
"structure_string": "Zr1 Cd1 Ag2\n1.0\n0.000000 3.394775 3.394775\n3.394775 0.000000 3.394775\n3.394775 3.394775 0.000000\nZr Cd Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n",
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{
"id": "mp-977462",
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"structure_string": "Zr1 Cd1 Au2\n1.0\n0.000000 3.398492 3.398492\n3.398492 0.000000 3.398492\n3.398492 3.398492 0.000000\nZr Cd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
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"density": 12.64002052257875,
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"volume": 78.50345150404702,
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"total_magnetization": 3.12e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.994000Z",
"spacegroup": 225
},
{
"id": "mp-728418",
"created_at": "2022-09-04T14:43:35.700167Z",
"structure_string": "Zr3 Cd3 C24 O48\n1.0\n4.578048 -7.929411 0.000000\n4.578048 7.929411 0.000000\n0.000000 0.000000 24.011934\nZr Cd C O\n3 3 24 48\ndirect\n0.500000 0.500000 0.666667 Zr\n0.500000 0.000000 0.000000 Zr\n0.000000 0.500000 0.333333 Zr\n0.000000 0.500000 0.833333 Cd\n0.500000 0.500000 0.166667 Cd\n0.500000 0.000000 0.500000 Cd\n0.321631 0.621690 0.748907 C\n0.378310 0.699941 0.082240 C\n0.300059 0.678369 0.415573 C\n0.321631 0.699941 0.917760 C\n0.378310 0.678369 0.584427 C\n0.300059 0.621690 0.251093 C\n0.207500 0.415040 0.747664 C\n0.584960 0.792460 0.080997 C\n0.207540 0.792500 0.414330 C\n0.207500 0.792460 0.919003 C\n0.584960 0.792500 0.585670 C\n0.207540 0.415040 0.252336 C\n0.792500 0.584960 0.747664 C\n0.415040 0.207540 0.080997 C\n0.792460 0.207500 0.414330 C\n0.792500 0.207540 0.919003 C\n0.415040 0.207500 0.585670 C\n0.792460 0.584960 0.252336 C\n0.678369 0.378310 0.748907 C\n0.621690 0.300059 0.082240 C\n0.699941 0.321631 0.415573 C\n0.678369 0.300059 0.917760 C\n0.621690 0.321631 0.584427 C\n0.699941 0.378310 0.251093 C\n0.453330 0.675008 0.719163 O\n0.324992 0.778322 0.052497 O\n0.221678 0.546670 0.385830 O\n0.453330 0.778322 0.947503 O\n0.324992 0.546670 0.614170 O\n0.221678 0.675008 0.280837 O\n0.268360 0.697439 0.777190 O\n0.302561 0.570920 0.110523 O\n0.429080 0.731640 0.443856 O\n0.268360 0.570920 0.889477 O\n0.302561 0.731640 0.556144 O\n0.429080 0.697439 0.222810 O\n0.919077 0.655071 0.777370 O\n0.344929 0.264007 0.110704 O\n0.735993 0.080923 0.444037 O\n0.919077 0.264007 0.889296 O\n0.344929 0.080923 0.555963 O\n0.735993 0.655071 0.222630 O\n0.267042 0.350687 0.714376 O\n0.649313 0.916355 0.047710 O\n0.083645 0.732958 0.381043 O\n0.267042 0.916355 0.952290 O\n0.649313 0.732958 0.618957 O\n0.083645 0.350687 0.285624 O\n0.080923 0.344929 0.777370 O\n0.655071 0.735993 0.110704 O\n0.264007 0.919077 0.444037 O\n0.080923 0.735993 0.889296 O\n0.655071 0.919077 0.555963 O\n0.264007 0.344929 0.222630 O\n0.546670 0.324992 0.719163 O\n0.675008 0.221678 0.052497 O\n0.778322 0.453330 0.385830 O\n0.546670 0.221678 0.947503 O\n0.675008 0.453330 0.614170 O\n0.778322 0.324992 0.280837 O\n0.731640 0.302561 0.777190 O\n0.697439 0.429080 0.110523 O\n0.570920 0.268360 0.443856 O\n0.731640 0.429080 0.889477 O\n0.697439 0.268360 0.556144 O\n0.570920 0.302561 0.222810 O\n0.732958 0.649313 0.714376 O\n0.350687 0.083645 0.047710 O\n0.916355 0.267042 0.381043 O\n0.732958 0.083645 0.952290 O\n0.350687 0.267042 0.618957 O\n0.916355 0.649313 0.285624 O\n",
"nsites": 78,
"nelements": 4,
"elements": [
"Zr",
"Cd",
"C",
"O"
],
"chemical_system": "C-Cd-O-Zr",
"density": 1.587965044769892,
"density_atomic": 0.04474208260167377,
"volume": 1743.3251977654272,
"volume_molar": 13.459679142818256,
"formula_full": "Zr3 Cd3 C24 O48",
"formula_reduced": "ZrCd(CO2)8",
"formula_anonymous": "ABC8D16",
"energy": -617.50242137,
"energy_per_atom": -7.916697709871794,
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"updated_at": "2021-11-28T01:36:16.106000Z",
"spacegroup": 181
},
{
"id": "mp-11293",
"created_at": "2022-09-04T14:39:59.570186Z",
"structure_string": "Zr1 Cd1 Cu2\n1.0\n0.000000 3.205921 3.205921\n3.205921 0.000000 3.205921\n3.205921 3.205921 0.000000\nZr Cd Cu\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Cd\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 4,
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"elements": [
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"Cd",
"Cu"
],
"chemical_system": "Cd-Cu-Zr",
"density": 8.33355496711117,
"density_atomic": 0.0606976038369819,
"volume": 65.9004597733869,
"volume_molar": 9.92154612260134,
"formula_full": "Zr1 Cd1 Cu2",
"formula_reduced": "ZrCdCu2",
"formula_anonymous": "ABC2",
"energy": -18.26008186,
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"total_magnetization": 3.34e-05,
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"updated_at": "2021-11-28T01:34:45.281000Z",
"spacegroup": 225
},
{
"id": "mp-1203397",
"created_at": "2022-09-04T14:42:07.168433Z",
"structure_string": "Zr4 Cd4 H40 C24 O68\n1.0\n17.125539 0.000000 0.000000\n0.000000 9.041459 0.000000\n0.000000 2.751512 9.706458\nZr Cd H C O\n4 4 40 24 68\ndirect\n0.404601 0.807756 0.887107 Zr\n0.904601 0.192244 0.612893 Zr\n0.595399 0.192244 0.112893 Zr\n0.095399 0.807756 0.387107 Zr\n0.381680 0.443838 0.478655 Cd\n0.881680 0.556162 0.021345 Cd\n0.618320 0.556162 0.521345 Cd\n0.118320 0.443838 0.978655 Cd\n0.447138 0.113727 0.015568 H\n0.947138 0.886273 0.484432 H\n0.552862 0.886273 0.984432 H\n0.052862 0.113727 0.515568 H\n0.435679 0.111463 0.175688 H\n0.935679 0.888537 0.324312 H\n0.564321 0.888537 0.824312 H\n0.064321 0.111463 0.675688 H\n0.201580 0.423943 0.497040 H\n0.701580 0.576057 0.002960 H\n0.798420 0.576057 0.502960 H\n0.298420 0.423943 0.997040 H\n0.225881 0.356269 0.376592 H\n0.725881 0.643731 0.123408 H\n0.774119 0.643731 0.623408 H\n0.274119 0.356269 0.876592 H\n0.248205 0.764333 0.985231 H\n0.748205 0.235667 0.514769 H\n0.751795 0.235667 0.014769 H\n0.251795 0.764333 0.485231 H\n0.275275 0.926906 0.008667 H\n0.775275 0.073094 0.491333 H\n0.724725 0.073094 0.991333 H\n0.224725 0.926906 0.508667 H\n0.293486 0.020333 0.193173 H\n0.793486 0.979667 0.306827 H\n0.706514 0.979667 0.806827 H\n0.206514 0.020333 0.693173 H\n0.266859 0.150121 0.063792 H\n0.766859 0.849879 0.436208 H\n0.733141 0.849879 0.936208 H\n0.233141 0.150121 0.563792 H\n0.603471 0.921241 0.615032 H\n0.103471 0.078759 0.884968 H\n0.396529 0.078759 0.384968 H\n0.896529 0.921241 0.115032 H\n0.602276 0.081051 0.653839 H\n0.102276 0.918949 0.846161 H\n0.397724 0.918949 0.346161 H\n0.897724 0.081051 0.153839 H\n0.561808 0.385783 0.309223 C\n0.061808 0.614217 0.190777 C\n0.438192 0.614217 0.690777 C\n0.938192 0.385783 0.809223 C\n0.650556 0.352623 0.323652 C\n0.150556 0.647377 0.176348 C\n0.349444 0.647377 0.676348 C\n0.849444 0.352623 0.823652 C\n0.404135 0.699953 0.201401 C\n0.904135 0.300047 0.298599 C\n0.595865 0.300047 0.798599 C\n0.095865 0.699953 0.701401 C\n0.377241 0.555777 0.159030 C\n0.877241 0.444223 0.340970 C\n0.622759 0.444223 0.840970 C\n0.122759 0.555777 0.659030 C\n0.888184 0.841860 0.741699 C\n0.388184 0.158140 0.758301 C\n0.111816 0.158140 0.258301 C\n0.611816 0.841860 0.241699 C\n0.408125 0.093360 0.635785 C\n0.908125 0.906640 0.864215 C\n0.591875 0.906640 0.364215 C\n0.091875 0.093360 0.135785 C\n0.528524 0.449343 0.389545 O\n0.028524 0.550657 0.110455 O\n0.471476 0.550657 0.610455 O\n0.971476 0.449343 0.889545 O\n0.470811 0.658867 0.786913 O\n0.970811 0.341133 0.713087 O\n0.529189 0.341133 0.213087 O\n0.029189 0.658867 0.286913 O\n0.321216 0.712896 0.762583 O\n0.821216 0.287104 0.737417 O\n0.678784 0.287104 0.237417 O\n0.178784 0.712896 0.262583 O\n0.311318 0.612689 0.582314 O\n0.811318 0.387311 0.917686 O\n0.688682 0.387311 0.417686 O\n0.188682 0.612689 0.082314 O\n0.924129 0.185679 0.399288 O\n0.424129 0.814321 0.100712 O\n0.075871 0.814321 0.600712 O\n0.575871 0.185679 0.899288 O\n0.903182 0.299999 0.174840 O\n0.403182 0.700001 0.325160 O\n0.096818 0.700001 0.825160 O\n0.596818 0.299999 0.674840 O\n0.375531 0.574477 0.027455 O\n0.875531 0.425523 0.472545 O\n0.624469 0.425523 0.972545 O\n0.124469 0.574477 0.527455 O\n0.857201 0.562507 0.251683 O\n0.357201 0.437493 0.248317 O\n0.142799 0.437493 0.748317 O\n0.642799 0.562507 0.751683 O\n0.896176 0.941775 0.623020 O\n0.396176 0.058225 0.876980 O\n0.103824 0.058225 0.376980 O\n0.603824 0.941775 0.123020 O\n0.366632 0.293724 0.737581 O\n0.866632 0.706276 0.762419 O\n0.633368 0.706276 0.262419 O\n0.133368 0.293724 0.237581 O\n0.410130 0.180965 0.515134 O\n0.910130 0.819035 0.984866 O\n0.589870 0.819035 0.484866 O\n0.089870 0.180965 0.015134 O\n0.577876 0.050577 0.331241 O\n0.077876 0.949423 0.168759 O\n0.422124 0.949423 0.668759 O\n0.922124 0.050577 0.831241 O\n0.469059 0.152910 0.090189 O\n0.969059 0.847090 0.409811 O\n0.530941 0.847090 0.909811 O\n0.030941 0.152910 0.590189 O\n0.241092 0.358121 0.469780 O\n0.741092 0.641879 0.030220 O\n0.758908 0.641879 0.530220 O\n0.258908 0.358121 0.969780 O\n0.282876 0.854257 0.948498 O\n0.782876 0.145743 0.551502 O\n0.717124 0.145743 0.051502 O\n0.217124 0.854257 0.448498 O\n0.260428 0.039468 0.110470 O\n0.760428 0.960532 0.389530 O\n0.739572 0.960532 0.889530 O\n0.239572 0.039468 0.610470 O\n0.615169 0.971345 0.689006 O\n0.115169 0.028655 0.810994 O\n0.384831 0.028655 0.310994 O\n0.884831 0.971345 0.189006 O\n",
"nsites": 140,
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"density": 2.4650143320037197,
"density_atomic": 0.09315034969273664,
"volume": 1502.9465854052123,
"volume_molar": 6.464968494336821,
"formula_full": "Zr4 Cd4 H40 C24 O68",
"formula_reduced": "ZrCdH10C6O17",
"formula_anonymous": "ABC6D10E17",
"energy": -957.50122865,
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"updated_at": "2021-11-28T01:35:32.278000Z",
"spacegroup": 14
},
{
"id": "mp-1245655",
"created_at": "2022-09-04T14:41:22.691079Z",
"structure_string": "Zr2 Cd2 N4\n1.0\n3.869008 0.000000 0.000000\n0.000000 3.869008 0.000000\n0.000000 0.000000 8.486532\nZr Cd N\n2 2 4\ndirect\n0.750000 0.750000 0.607550 Zr\n0.250000 0.250000 0.392450 Zr\n0.750000 0.750000 0.115631 Cd\n0.250000 0.250000 0.884369 Cd\n0.750000 0.250000 0.500000 N\n0.250000 0.750000 0.500000 N\n0.750000 0.750000 0.853664 N\n0.250000 0.250000 0.146336 N\n",
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"density": 6.055902709232412,
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"volume": 127.03678919047208,
"volume_molar": 9.562917827543366,
"formula_full": "Zr2 Cd2 N4",
"formula_reduced": "ZrCdN2",
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"spacegroup": 129
},
{
"id": "mp-1245550",
"created_at": "2022-09-04T14:45:00.780488Z",
"structure_string": "Zr2 Cd8 N8\n1.0\n6.052054 -0.017390 -0.340389\n2.239747 5.599041 0.150143\n1.178278 2.829839 8.613267\nZr Cd N\n2 8 8\ndirect\n0.721416 0.838427 0.775177 Zr\n0.278584 0.161573 0.224823 Zr\n0.712782 0.632492 0.195123 Cd\n0.287218 0.367508 0.804877 Cd\n0.759104 0.230391 0.000008 Cd\n0.240896 0.769609 0.999992 Cd\n0.755358 0.473966 0.572370 Cd\n0.244642 0.526034 0.427630 Cd\n0.253535 0.921612 0.585874 Cd\n0.746465 0.078388 0.414126 Cd\n0.966355 0.702307 0.613810 N\n0.033645 0.297693 0.386190 N\n0.848986 0.836446 0.981520 N\n0.151014 0.163554 0.018480 N\n0.477786 0.651140 0.811623 N\n0.522214 0.348860 0.188377 N\n0.460348 0.785174 0.369075 N\n0.539652 0.214826 0.630925 N\n",
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},
{
"id": "mp-1016845",
"created_at": "2022-09-04T14:44:55.719988Z",
"structure_string": "Zr1 Cd1 O3\n1.0\n4.159472 0.000000 0.000000\n0.000000 4.159472 0.000000\n0.000000 0.000000 4.159472\nZr Cd O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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{
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