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{
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"results": [
{
"id": "mp-1183653",
"created_at": "2022-09-04T14:39:07.840376Z",
"structure_string": "Cd6 Os2\n1.0\n2.990935 -5.180451 0.000000\n2.990935 5.180451 0.000000\n0.000000 0.000000 4.859414\nCd Os\n6 2\ndirect\n0.827480 0.172520 0.750000 Cd\n0.345041 0.172520 0.750000 Cd\n0.827480 0.654959 0.750000 Cd\n0.172520 0.827480 0.250000 Cd\n0.654959 0.827480 0.250000 Cd\n0.172520 0.345041 0.250000 Cd\n0.666667 0.333333 0.250000 Os\n0.333333 0.666667 0.750000 Os\n",
"nsites": 8,
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"elements": [
"Cd",
"Os"
],
"chemical_system": "Cd-Os",
"density": 11.632756899183695,
"density_atomic": 0.05312531836201177,
"volume": 150.58733286990608,
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"formula_full": "Cd6 Os2",
"formula_reduced": "Cd3Os",
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"energy": -24.1213708,
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"updated_at": "2021-11-28T01:34:26.776000Z",
"spacegroup": 194
},
{
"id": "mp-556313",
"created_at": "2022-09-04T14:39:07.834075Z",
"structure_string": "V8 Cd4 O24\n1.0\n4.969669 0.000000 0.000000\n0.000000 5.855154 0.000000\n0.000000 0.000000 14.382157\nV Cd O\n8 4 24\ndirect\n0.221215 0.182711 0.332508 V\n0.221215 0.682711 0.167492 V\n0.721215 0.317289 0.167492 V\n0.278785 0.182711 0.667492 V\n0.278785 0.682711 0.832508 V\n0.778785 0.317289 0.832508 V\n0.721215 0.817289 0.332508 V\n0.778785 0.817289 0.667492 V\n0.250000 0.218024 0.000000 Cd\n0.750000 0.281976 0.500000 Cd\n0.750000 0.781976 0.000000 Cd\n0.250000 0.718024 0.500000 Cd\n0.894044 0.650896 0.246156 O\n0.386770 0.880318 0.909858 O\n0.386770 0.380318 0.590142 O\n0.481574 0.421987 0.893712 O\n0.018426 0.921987 0.393712 O\n0.518426 0.078013 0.393712 O\n0.113230 0.880318 0.090142 O\n0.981574 0.078013 0.606288 O\n0.105956 0.349104 0.753844 O\n0.113230 0.380318 0.409858 O\n0.886770 0.619682 0.590142 O\n0.481574 0.921987 0.606288 O\n0.894044 0.150896 0.253844 O\n0.018426 0.421987 0.106288 O\n0.518426 0.578013 0.106288 O\n0.981574 0.578013 0.893712 O\n0.613230 0.119682 0.090142 O\n0.394044 0.849104 0.253844 O\n0.105956 0.849104 0.746156 O\n0.886770 0.119682 0.909858 O\n0.613230 0.619682 0.409858 O\n0.394044 0.349104 0.246156 O\n0.605956 0.650896 0.753844 O\n0.605956 0.150896 0.746156 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"V",
"Cd",
"O"
],
"chemical_system": "Cd-O-V",
"density": 4.924788869237227,
"density_atomic": 0.08602262465957443,
"volume": 418.49455468798175,
"volume_molar": 7.000647543401511,
"formula_full": "V8 Cd4 O24",
"formula_reduced": "V2CdO6",
"formula_anonymous": "AB2C6",
"energy": -272.1621361,
"energy_per_atom": -7.560059336111111,
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"energy_uncorrected": -242.0741361,
"band_gap": 2.2767,
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"is_magnetic": false,
"total_magnetization": 4.37e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.991000Z",
"spacegroup": 60
},
{
"id": "mp-12787",
"created_at": "2022-09-04T14:39:07.833039Z",
"structure_string": "Si6 O12\n1.0\n2.517228 7.049813 0.000000\n-2.517228 7.049813 0.000000\n0.000000 5.620053 6.948767\nSi O\n6 12\ndirect\n0.066816 0.599249 0.658567 Si\n0.400751 0.933184 0.841433 Si\n0.933184 0.400751 0.341433 Si\n0.599249 0.066816 0.158567 Si\n0.979341 0.020659 0.250000 Si\n0.020659 0.979341 0.750000 Si\n0.861596 0.280742 0.298184 O\n0.719258 0.138404 0.201816 O\n0.138404 0.719258 0.701816 O\n0.280742 0.861596 0.798184 O\n0.068967 0.734399 0.433628 O\n0.265601 0.931033 0.066372 O\n0.678987 0.754067 0.299835 O\n0.245933 0.321013 0.200165 O\n0.321013 0.245933 0.700165 O\n0.754067 0.678987 0.799835 O\n0.734399 0.068967 0.933628 O\n0.931033 0.265601 0.566372 O\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.427300008191157,
"density_atomic": 0.07298516744537828,
"volume": 246.62545322611072,
"volume_molar": 8.251184412924639,
"formula_full": "Si6 O12",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -150.55007267,
"energy_per_atom": -8.363892926111111,
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"band_gap": 5.6273,
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"updated_at": "2021-11-28T01:34:34.181000Z",
"spacegroup": 15
},
{
"id": "mp-1203751",
"created_at": "2022-09-04T14:39:07.829244Z",
"structure_string": "Dy4 Mo6 H4 Se4 O34\n1.0\n7.305384 0.000000 0.000000\n0.000000 6.863923 0.000000\n0.000000 2.429252 14.160619\nDy Mo H Se O\n4 6 4 4 34\ndirect\n0.250000 0.387193 0.541025 Dy\n0.750000 0.612807 0.458975 Dy\n0.250000 0.744316 0.122046 Dy\n0.750000 0.255684 0.877954 Dy\n0.004399 0.210223 0.137715 Mo\n0.504399 0.789777 0.862285 Mo\n0.995601 0.789777 0.862285 Mo\n0.495601 0.210223 0.137715 Mo\n0.750000 0.129836 0.332193 Mo\n0.250000 0.870164 0.667807 Mo\n0.356696 0.246901 0.360292 H\n0.856696 0.753099 0.639708 H\n0.643304 0.753099 0.639708 H\n0.143304 0.246901 0.360292 H\n0.250000 0.789425 0.382555 Se\n0.750000 0.210575 0.617445 Se\n0.750000 0.747264 0.189314 Se\n0.250000 0.252736 0.810686 Se\n0.073312 0.648819 0.444367 O\n0.573312 0.351181 0.555633 O\n0.926688 0.351181 0.555633 O\n0.426688 0.648819 0.444367 O\n0.250000 0.713168 0.275527 O\n0.750000 0.286832 0.724473 O\n0.750000 0.800590 0.301401 O\n0.250000 0.199410 0.698599 O\n0.939902 0.884715 0.141922 O\n0.439902 0.115285 0.858078 O\n0.060098 0.115285 0.858078 O\n0.560098 0.884715 0.141922 O\n0.250000 0.093525 0.129272 O\n0.750000 0.906475 0.870728 O\n0.933478 0.238410 0.018587 O\n0.433478 0.761590 0.981413 O\n0.066522 0.761590 0.981413 O\n0.566522 0.238410 0.018587 O\n0.074105 0.453145 0.145367 O\n0.574105 0.546855 0.854633 O\n0.925895 0.546855 0.854633 O\n0.425895 0.453145 0.145367 O\n0.996867 0.123116 0.286216 O\n0.496867 0.876884 0.713784 O\n0.003133 0.876884 0.713784 O\n0.503133 0.123116 0.286216 O\n0.750000 0.230651 0.177690 O\n0.250000 0.769349 0.822310 O\n0.750000 0.370270 0.363319 O\n0.250000 0.629730 0.636681 O\n0.750000 0.972267 0.443087 O\n0.250000 0.027733 0.556913 O\n0.250000 0.298225 0.391171 O\n0.750000 0.701775 0.608829 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
"Dy",
"Mo",
"H",
"Se",
"O"
],
"chemical_system": "Dy-H-Mo-O-Se",
"density": 4.886433436356867,
"density_atomic": 0.07323280240175785,
"volume": 710.064319466106,
"volume_molar": 8.223283231689418,
"formula_full": "Dy4 Mo6 H4 Se4 O34",
"formula_reduced": "Dy2Mo3H2Se2O17",
"formula_anonymous": "A2B2C2D3E17",
"energy": -391.5935793,
"energy_per_atom": -7.53064575576923,
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"energy_uncorrected": -349.0235793,
"band_gap": 1.6412,
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"updated_at": "2021-11-28T01:34:30.179000Z",
"spacegroup": 11
},
{
"id": "mp-754820",
"created_at": "2022-09-04T14:39:07.827540Z",
"structure_string": "Li12 Co4 P4 C4 O28\n1.0\n-0.002101 0.003180 6.383578\n8.591695 0.031373 -0.002712\n0.832084 9.784815 0.004672\nLi Co P C O\n12 4 4 4 28\ndirect\n0.264028 0.109198 0.388696 Li\n0.266285 0.107106 0.888751 Li\n0.768089 0.891582 0.110164 Li\n0.765001 0.891865 0.612513 Li\n0.478908 0.283254 0.121368 Li\n0.478975 0.283608 0.621397 Li\n0.989599 0.716236 0.377231 Li\n0.980354 0.716188 0.878469 Li\n0.741422 0.358156 0.390621 Li\n0.741547 0.356725 0.889702 Li\n0.242221 0.643739 0.112333 Li\n0.241451 0.642736 0.608237 Li\n0.995682 0.267614 0.627673 Co\n0.495143 0.733097 0.872129 Co\n0.996308 0.267618 0.127850 Co\n0.503360 0.740035 0.370474 Co\n0.249700 0.408687 0.362043 P\n0.247604 0.408560 0.861974 P\n0.746771 0.590883 0.138136 P\n0.745712 0.591585 0.637451 P\n0.762309 0.041518 0.351918 C\n0.763092 0.040939 0.851964 C\n0.258621 0.957208 0.149373 C\n0.263531 0.959692 0.647877 C\n0.760647 0.064753 0.478088 O\n0.759983 0.065892 0.978096 O\n0.259346 0.933618 0.022877 O\n0.262485 0.935629 0.521491 O\n0.243699 0.100793 0.187687 O\n0.244808 0.102871 0.686420 O\n0.741266 0.897775 0.313061 O\n0.744982 0.897368 0.814144 O\n0.780476 0.155792 0.257009 O\n0.779669 0.155764 0.756755 O\n0.268152 0.840866 0.244040 O\n0.278538 0.844323 0.742733 O\n0.055577 0.317261 0.424867 O\n0.054941 0.316056 0.924920 O\n0.555010 0.684913 0.075839 O\n0.553253 0.684540 0.575806 O\n0.440518 0.309185 0.412000 O\n0.439863 0.310983 0.912262 O\n0.939758 0.687796 0.087940 O\n0.938571 0.688618 0.586131 O\n0.746691 0.421083 0.095727 O\n0.746325 0.421250 0.596116 O\n0.253299 0.578107 0.403970 O\n0.247977 0.578505 0.903955 O\n0.231059 0.414539 0.202321 O\n0.229661 0.415133 0.702382 O\n0.728205 0.583517 0.297745 O\n0.729522 0.585241 0.797273 O\n",
"nsites": 52,
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"elements": [
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"Co",
"P",
"C",
"O"
],
"chemical_system": "C-Co-Li-O-P",
"density": 2.906223616572278,
"density_atomic": 0.09692654608230523,
"volume": 536.4887340135299,
"volume_molar": 6.213097446891687,
"formula_full": "Li12 Co4 P4 C4 O28",
"formula_reduced": "Li3CoPCO7",
"formula_anonymous": "ABCD3E7",
"energy": -366.53949181,
"energy_per_atom": -7.048836380961538,
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"updated_at": "2021-11-28T01:34:24.708000Z",
"spacegroup": 4
},
{
"id": "mp-1522343",
"created_at": "2022-09-04T14:39:07.824597Z",
"structure_string": "Na1 Sr1 Sb1 W1 O6\n1.0\n0.000000 -4.194252 -4.194252\n4.194252 0.000000 -4.194252\n4.194252 -4.194252 -0.000000\nNa Sr Sb W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 W\n0.732402 0.267598 0.267598 O\n0.267598 0.732402 0.732402 O\n0.732402 0.267598 0.732402 O\n0.267598 0.732402 0.267598 O\n0.732402 0.732402 0.267598 O\n0.267598 0.267598 0.732402 O\n",
"nsites": 10,
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"elements": [
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"W",
"O"
],
"chemical_system": "Na-O-Sb-Sr-W",
"density": 5.763686439429554,
"density_atomic": 0.06776515615876678,
"volume": 147.56846389567863,
"volume_molar": 8.886780613167549,
"formula_full": "Na1 Sr1 Sb1 W1 O6",
"formula_reduced": "NaSrSbWO6",
"formula_anonymous": "ABCDE6",
"energy": -72.05149136,
"energy_per_atom": -7.205149136,
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"updated_at": "2021-11-28T01:34:42.894000Z",
"spacegroup": 216
},
{
"id": "mp-1238387",
"created_at": "2022-09-04T14:39:07.824398Z",
"structure_string": "Cd6 P12 H24 O48\n1.0\n6.997280 -7.634851 0.000000\n6.997280 7.634851 0.000000\n-1.333236 0.000000 10.270120\nCd P H O\n6 12 24 48\ndirect\n0.660988 0.279845 0.867038 Cd\n0.867038 0.660988 0.279845 Cd\n0.279845 0.867038 0.660988 Cd\n0.339012 0.720155 0.132962 Cd\n0.132962 0.339012 0.720155 Cd\n0.720155 0.132962 0.339012 Cd\n0.392405 0.021320 0.284052 P\n0.284052 0.392405 0.021320 P\n0.021320 0.284052 0.392405 P\n0.607595 0.978680 0.715948 P\n0.715948 0.607595 0.978680 P\n0.978680 0.715948 0.607595 P\n0.217814 0.109377 0.479779 P\n0.479779 0.217814 0.109377 P\n0.109377 0.479779 0.217814 P\n0.782186 0.890623 0.520221 P\n0.520221 0.782186 0.890623 P\n0.890623 0.520221 0.782186 P\n0.757438 0.326050 0.567486 H\n0.567486 0.757438 0.326050 H\n0.326050 0.567486 0.757438 H\n0.242562 0.673950 0.432514 H\n0.432514 0.242562 0.673950 H\n0.673950 0.432514 0.242562 H\n0.535117 0.609080 0.300136 H\n0.300136 0.535117 0.609080 H\n0.609080 0.300136 0.535117 H\n0.464883 0.390920 0.699864 H\n0.699864 0.464883 0.390920 H\n0.390920 0.699864 0.464883 H\n0.293729 0.068703 0.875809 H\n0.875809 0.293729 0.068703 H\n0.068703 0.875809 0.293729 H\n0.706271 0.931297 0.124191 H\n0.124191 0.706271 0.931297 H\n0.931297 0.124191 0.706271 H\n0.853673 0.953954 0.175754 H\n0.175754 0.853673 0.953954 H\n0.953954 0.175754 0.853673 H\n0.146327 0.046046 0.824246 H\n0.824246 0.146327 0.046046 H\n0.046046 0.824246 0.146327 H\n0.903472 0.251026 0.296180 O\n0.296180 0.903472 0.251026 O\n0.251026 0.296180 0.903472 O\n0.096528 0.748974 0.703820 O\n0.703820 0.096528 0.748974 O\n0.748974 0.703820 0.096528 O\n0.997494 0.670703 0.469298 O\n0.469298 0.997494 0.670703 O\n0.670703 0.469298 0.997494 O\n0.002506 0.329297 0.530702 O\n0.530702 0.002506 0.329297 O\n0.329297 0.530702 0.002506 O\n0.205036 0.597990 0.255475 O\n0.255475 0.205036 0.597990 O\n0.597990 0.255475 0.205036 O\n0.794964 0.402010 0.744525 O\n0.744525 0.794964 0.402010 O\n0.402010 0.744525 0.794964 O\n0.969623 0.498461 0.177962 O\n0.177962 0.969623 0.498461 O\n0.498461 0.177962 0.969623 O\n0.030377 0.501539 0.822038 O\n0.822038 0.030377 0.501539 O\n0.501539 0.822038 0.030377 O\n0.390842 0.338255 0.121411 O\n0.121411 0.390842 0.338255 O\n0.338255 0.121411 0.390842 O\n0.609158 0.661745 0.878589 O\n0.878589 0.609158 0.661745 O\n0.661745 0.878589 0.609158 O\n0.385652 0.102826 0.157587 O\n0.157587 0.385652 0.102826 O\n0.102826 0.157587 0.385652 O\n0.614348 0.897174 0.842413 O\n0.842413 0.614348 0.897174 O\n0.897174 0.842413 0.614348 O\n0.492296 0.690424 0.309401 O\n0.309401 0.492296 0.690424 O\n0.690424 0.309401 0.492296 O\n0.507704 0.309576 0.690599 O\n0.690599 0.507704 0.309576 O\n0.309576 0.690599 0.507704 O\n0.000531 0.151869 0.777162 O\n0.777162 0.000531 0.151869 O\n0.151869 0.777162 0.000531 O\n0.999469 0.848131 0.222838 O\n0.222838 0.999469 0.848131 O\n0.848131 0.222838 0.999469 O\n",
"nsites": 90,
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"elements": [
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"O"
],
"chemical_system": "Cd-H-O-P",
"density": 2.781846746361043,
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"volume": 1097.3251483821005,
"volume_molar": 7.342496114494328,
"formula_full": "Cd6 P12 H24 O48",
"formula_reduced": "CdP2(HO2)4",
"formula_anonymous": "AB2C4D8",
"energy": -566.89196692,
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"updated_at": "2021-11-28T01:34:33.816000Z",
"spacegroup": 148
},
{
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