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{
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"results": [
{
"id": "mp-1372858",
"created_at": "2022-09-04T14:45:30.437186Z",
"structure_string": "Sr2 Mg2 Cr2 P4 O16\n1.0\n5.659491 0.000000 0.000000\n-1.026370 6.770428 0.000000\n-1.985987 -3.497431 8.468462\nSr Mg Cr P O\n2 2 2 4 16\ndirect\n0.202562 0.747893 0.054569 Sr\n0.797438 0.252107 0.945431 Sr\n0.344293 0.743563 0.648435 Mg\n0.655707 0.256437 0.351565 Mg\n0.092506 0.295095 0.548462 Cr\n0.907494 0.704905 0.451538 Cr\n0.155635 0.188257 0.235185 P\n0.844365 0.811743 0.764815 P\n0.539444 0.724562 0.298256 P\n0.460556 0.275438 0.701744 P\n0.930579 0.665286 0.889962 O\n0.440537 0.264944 0.212764 O\n0.901364 0.042132 0.760165 O\n0.265455 0.420092 0.687791 O\n0.559463 0.735056 0.787236 O\n0.450312 0.155169 0.585728 O\n0.549688 0.844831 0.414272 O\n0.388922 0.129368 0.872776 O\n0.098636 0.957868 0.239835 O\n0.611078 0.870632 0.127224 O\n0.069421 0.334714 0.110038 O\n0.971596 0.188830 0.395242 O\n0.028404 0.811170 0.604758 O\n0.268156 0.575731 0.353199 O\n0.734545 0.579908 0.312209 O\n0.731844 0.424269 0.646801 O\n",
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"elements": [
"Sr",
"Mg",
"Cr",
"P",
"O"
],
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"density": 3.6217395761460964,
"density_atomic": 0.08012634032490802,
"volume": 324.48755171609474,
"volume_molar": 7.515806581931162,
"formula_full": "Sr2 Mg2 Cr2 P4 O16",
"formula_reduced": "SrMgCr(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -110.67353581000002,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.652000Z",
"spacegroup": 2
},
{
"id": "mp-1277428",
"created_at": "2022-09-04T14:45:30.506372Z",
"structure_string": "V6 O12\n1.0\n1.204102 -2.242044 4.326258\n8.058349 -2.146799 -3.766583\n1.257214 4.833810 0.067476\nV O\n6 12\ndirect\n0.997836 0.000162 0.003530 V\n0.496424 0.500081 0.502382 V\n0.554787 0.739212 0.930339 V\n0.438658 0.261452 0.075648 V\n0.930412 0.760629 0.579330 V\n0.062755 0.239245 0.426634 V\n0.310698 0.117061 0.291740 O\n0.798707 0.615935 0.801313 O\n0.192699 0.383869 0.204291 O\n0.683959 0.883073 0.715675 O\n0.087079 0.144610 0.748447 O\n0.576455 0.641729 0.259399 O\n0.770034 0.136527 0.104364 O\n0.262402 0.639888 0.619047 O\n0.416899 0.358316 0.746740 O\n0.907483 0.855279 0.258611 O\n0.731337 0.359608 0.388187 O\n0.223881 0.863325 0.901818 O\n",
"nsites": 18,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 3.8654418232000545,
"density_atomic": 0.08419876019358341,
"volume": 213.77986990088408,
"volume_molar": 7.152291489986729,
"formula_full": "V6 O12",
"formula_reduced": "VO2",
"formula_anonymous": "AB2",
"energy": -157.44183443999998,
"energy_per_atom": -8.74676858,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:04.865000Z",
"spacegroup": 2
},
{
"id": "mp-1215714",
"created_at": "2022-09-04T14:45:31.093781Z",
"structure_string": "Zn16 Pd8\n1.0\n3.738833 -3.795792 0.000000\n3.738833 3.795792 0.000000\n0.000000 0.000000 12.325293\nZn Pd\n16 8\ndirect\n0.721727 0.278273 0.992234 Zn\n0.278273 0.721727 0.992234 Zn\n0.500000 0.000000 0.833259 Zn\n0.000000 0.500000 0.166797 Zn\n0.500000 0.000000 0.166797 Zn\n0.000000 0.500000 0.833259 Zn\n0.000000 0.000000 0.833371 Zn\n0.000000 0.000000 0.171013 Zn\n0.721953 0.721953 0.335154 Zn\n0.278047 0.278047 0.335154 Zn\n0.281910 0.281910 0.670173 Zn\n0.718090 0.718090 0.670173 Zn\n0.000000 0.000000 0.497265 Zn\n0.500000 0.000000 0.500102 Zn\n0.000000 0.500000 0.500102 Zn\n0.500000 0.500000 0.163270 Zn\n0.786655 0.213345 0.661648 Pd\n0.213345 0.786655 0.661648 Pd\n0.776320 0.223680 0.333722 Pd\n0.223680 0.776320 0.333722 Pd\n0.500000 0.500000 0.502823 Pd\n0.500000 0.500000 0.831074 Pd\n0.780518 0.780518 0.007502 Pd\n0.219482 0.219482 0.007502 Pd\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Zn",
"Pd"
],
"chemical_system": "Pd-Zn",
"density": 9.008606502965733,
"density_atomic": 0.06860338111650624,
"volume": 349.8369848454234,
"volume_molar": 8.778198190804693,
"formula_full": "Zn16 Pd8",
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"updated_at": "2021-11-28T01:37:00.551000Z",
"spacegroup": 35
},
{
"id": "mp-720868",
"created_at": "2022-09-04T14:45:31.865699Z",
"structure_string": "Ca4 Cd2 H48 Cl12 O24\n1.0\n10.256310 0.000000 0.000000\n0.000000 8.841955 0.000000\n0.000000 5.077988 11.692367\nCa Cd H Cl O\n4 2 48 12 24\ndirect\n0.539052 0.260960 0.867045 Ca\n0.039052 0.739040 0.632955 Ca\n0.460948 0.739040 0.132955 Ca\n0.960948 0.260960 0.367045 Ca\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.348736 0.164138 0.724662 H\n0.848736 0.835862 0.775338 H\n0.651264 0.835862 0.275338 H\n0.151264 0.164138 0.224662 H\n0.299403 0.063591 0.851676 H\n0.799403 0.936409 0.648324 H\n0.700597 0.936409 0.148324 H\n0.200597 0.063591 0.351676 H\n0.526494 0.552279 0.632845 H\n0.026494 0.447721 0.867155 H\n0.473506 0.447721 0.367155 H\n0.973506 0.552279 0.132845 H\n0.472990 0.402988 0.610456 H\n0.972990 0.597012 0.889544 H\n0.527010 0.597012 0.389544 H\n0.027010 0.402988 0.110456 H\n0.401911 0.572215 0.880119 H\n0.901911 0.427785 0.619881 H\n0.598089 0.427785 0.119881 H\n0.098089 0.572215 0.380119 H\n0.306785 0.419652 0.926978 H\n0.806785 0.580348 0.573022 H\n0.693215 0.580348 0.073022 H\n0.193215 0.419652 0.426978 H\n0.684019 0.193996 0.669984 H\n0.184019 0.806004 0.830016 H\n0.315981 0.806004 0.330016 H\n0.815981 0.193996 0.169984 H\n0.787022 0.181727 0.762714 H\n0.287022 0.818273 0.737286 H\n0.212978 0.818273 0.237286 H\n0.712978 0.181727 0.262714 H\n0.652369 0.612620 0.796731 H\n0.152369 0.387380 0.703269 H\n0.347631 0.387380 0.203269 H\n0.847631 0.612620 0.296731 H\n0.775483 0.497259 0.833467 H\n0.275483 0.502741 0.666533 H\n0.224517 0.502741 0.166533 H\n0.724517 0.497259 0.333467 H\n0.465925 0.104756 0.125143 H\n0.965925 0.895244 0.374857 H\n0.534075 0.895244 0.874857 H\n0.034075 0.104756 0.625143 H\n0.342124 0.111297 0.053484 H\n0.842124 0.888703 0.446516 H\n0.657876 0.888703 0.946516 H\n0.157876 0.111297 0.553484 H\n0.501302 0.831308 0.728133 Cl\n0.001302 0.168692 0.771867 Cl\n0.498698 0.168692 0.271867 Cl\n0.998698 0.831308 0.228133 Cl\n0.639838 0.760636 0.472016 Cl\n0.139838 0.239364 0.027984 Cl\n0.360162 0.239364 0.527984 Cl\n0.860162 0.760636 0.972016 Cl\n0.719818 0.155337 0.514046 Cl\n0.219818 0.844663 0.985954 Cl\n0.280182 0.844663 0.485954 Cl\n0.780182 0.155337 0.014046 Cl\n0.353412 0.158474 0.803074 O\n0.853412 0.841526 0.696926 O\n0.646588 0.841526 0.196926 O\n0.146588 0.158474 0.303074 O\n0.473455 0.451617 0.667604 O\n0.973455 0.548383 0.832396 O\n0.526545 0.548383 0.332396 O\n0.026545 0.451617 0.167604 O\n0.398818 0.452258 0.907791 O\n0.898818 0.547742 0.592209 O\n0.601182 0.547742 0.092209 O\n0.101182 0.452258 0.407791 O\n0.693459 0.201675 0.744859 O\n0.193459 0.798325 0.755141 O\n0.306541 0.798325 0.255141 O\n0.806541 0.201675 0.244859 O\n0.680162 0.497308 0.824999 O\n0.180162 0.502692 0.675001 O\n0.319838 0.502692 0.175001 O\n0.819838 0.497308 0.324999 O\n0.436784 0.091043 0.055279 O\n0.936784 0.908957 0.444721 O\n0.563216 0.908957 0.944721 O\n0.063216 0.091043 0.555279 O\n",
"nsites": 90,
"nelements": 5,
"elements": [
"Ca",
"Cd",
"H",
"Cl",
"O"
],
"chemical_system": "Ca-Cd-Cl-H-O",
"density": 1.9465082023886338,
"density_atomic": 0.08487907373431576,
"volume": 1060.332023435052,
"volume_molar": 7.094965219401669,
"formula_full": "Ca4 Cd2 H48 Cl12 O24",
"formula_reduced": "Ca2CdH24(ClO2)6",
"formula_anonymous": "AB2C6D12E24",
"energy": -446.5127867,
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"updated_at": "2021-11-28T01:37:05.277000Z",
"spacegroup": 14
},
{
"id": "mp-1181965",
"created_at": "2022-09-04T14:45:31.964004Z",
"structure_string": "Cs8 V8 S8 O48\n1.0\n6.691026 0.000000 0.000000\n0.000000 10.871241 0.000000\n0.000000 0.000000 17.876114\nCs V S O\n8 8 8 48\ndirect\n0.749556 0.478793 0.410847 Cs\n0.250444 0.978793 0.089153 Cs\n0.249556 0.478793 0.089153 Cs\n0.250444 0.521207 0.589153 Cs\n0.249556 0.021207 0.589153 Cs\n0.750444 0.978793 0.410847 Cs\n0.749556 0.021207 0.910847 Cs\n0.750444 0.521207 0.910847 Cs\n0.994519 0.724200 0.248241 V\n0.494519 0.724200 0.251759 V\n0.005481 0.275800 0.751759 V\n0.494519 0.775800 0.751759 V\n0.505481 0.224200 0.248241 V\n0.994519 0.775800 0.748241 V\n0.505481 0.275800 0.748241 V\n0.005481 0.224200 0.251759 V\n0.261455 0.220686 0.403010 S\n0.238545 0.779314 0.903010 S\n0.738545 0.779314 0.596990 S\n0.761455 0.220686 0.096990 S\n0.761455 0.279314 0.596990 S\n0.738545 0.720686 0.096990 S\n0.238545 0.720686 0.403010 S\n0.261455 0.279314 0.903010 S\n0.422812 0.739684 0.857040 O\n0.757118 0.281482 0.273084 O\n0.742882 0.718518 0.773084 O\n0.233544 0.706330 0.970720 O\n0.945265 0.244603 0.644446 O\n0.266456 0.293670 0.470720 O\n0.257118 0.218518 0.726916 O\n0.733544 0.793670 0.029280 O\n0.257282 0.087694 0.413947 O\n0.733544 0.706330 0.529280 O\n0.502603 0.424805 0.746775 O\n0.242882 0.781482 0.226916 O\n0.922812 0.739684 0.642960 O\n0.002603 0.424805 0.753225 O\n0.054735 0.755397 0.355554 O\n0.502603 0.075195 0.246775 O\n0.077188 0.260316 0.357040 O\n0.742718 0.587694 0.086053 O\n0.242882 0.718518 0.726916 O\n0.742882 0.781482 0.273084 O\n0.577188 0.239684 0.642960 O\n0.002603 0.075195 0.253225 O\n0.445265 0.244603 0.855554 O\n0.266456 0.206330 0.970720 O\n0.077188 0.239684 0.857040 O\n0.233544 0.793670 0.470720 O\n0.922812 0.760316 0.142960 O\n0.757282 0.412306 0.586053 O\n0.554735 0.755397 0.144446 O\n0.257282 0.412306 0.913947 O\n0.766456 0.206330 0.529280 O\n0.945265 0.255397 0.144446 O\n0.497397 0.924805 0.753225 O\n0.742718 0.912306 0.586053 O\n0.997397 0.924805 0.746775 O\n0.422812 0.760316 0.357040 O\n0.997397 0.575195 0.246775 O\n0.242718 0.912306 0.913947 O\n0.757282 0.087694 0.086053 O\n0.445265 0.255397 0.355554 O\n0.257118 0.281482 0.226916 O\n0.554735 0.744603 0.644446 O\n0.054735 0.744603 0.855554 O\n0.757118 0.218518 0.773084 O\n0.577188 0.260316 0.142960 O\n0.766456 0.293670 0.029280 O\n0.242718 0.587694 0.413947 O\n0.497397 0.575195 0.253225 O\n",
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],
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"formula_full": "Cs8 V8 S8 O48",
"formula_reduced": "CsVSO6",
"formula_anonymous": "ABCD6",
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"spacegroup": 61
},
{
"id": "mp-1232039",
"created_at": "2022-09-04T14:45:32.076368Z",
"structure_string": "La16 Mg8 Se32\n1.0\n8.294822 0.000000 0.000000\n0.000000 13.761350 0.000000\n0.000000 0.000000 13.820957\nLa Mg Se\n16 8 32\ndirect\n0.886545 0.685167 0.108915 La\n0.113455 0.185167 0.891085 La\n0.886545 0.185167 0.391085 La\n0.113455 0.685167 0.608915 La\n0.385018 0.325481 0.126642 La\n0.614982 0.825481 0.873358 La\n0.385018 0.825481 0.373358 La\n0.614982 0.325481 0.626642 La\n0.631407 0.993865 0.135110 La\n0.368593 0.493865 0.864890 La\n0.631407 0.493865 0.364890 La\n0.368593 0.993865 0.635110 La\n0.131023 0.992790 0.135719 La\n0.868977 0.492790 0.864281 La\n0.131023 0.492790 0.364281 La\n0.868977 0.992790 0.635719 La\n0.385083 0.693585 0.111868 Mg\n0.614917 0.193585 0.888132 Mg\n0.385083 0.193585 0.388132 Mg\n0.614917 0.693585 0.611868 Mg\n0.880158 0.320178 0.125962 Mg\n0.119842 0.820178 0.874038 Mg\n0.880158 0.820178 0.374038 Mg\n0.119842 0.320178 0.625962 Mg\n0.883507 0.880145 0.009897 Se\n0.116493 0.380145 0.990103 Se\n0.883507 0.380145 0.490103 Se\n0.116493 0.880145 0.509897 Se\n0.384702 0.128882 0.026836 Se\n0.615298 0.628882 0.973164 Se\n0.384702 0.628882 0.473164 Se\n0.615298 0.128882 0.526836 Se\n0.373146 0.866875 0.026410 Se\n0.626854 0.366875 0.973590 Se\n0.373146 0.366875 0.473590 Se\n0.626854 0.866875 0.526410 Se\n0.874491 0.140858 0.048413 Se\n0.125509 0.640858 0.951587 Se\n0.874491 0.640858 0.451587 Se\n0.125509 0.140858 0.548413 Se\n0.881934 0.494949 0.208944 Se\n0.118066 0.994949 0.791056 Se\n0.881934 0.994949 0.291056 Se\n0.118066 0.494949 0.708944 Se\n0.381892 0.524748 0.210015 Se\n0.618108 0.024748 0.789985 Se\n0.381892 0.024748 0.289985 Se\n0.618108 0.524748 0.710015 Se\n0.137080 0.772721 0.231310 Se\n0.862920 0.272721 0.768690 Se\n0.137080 0.272721 0.268690 Se\n0.862920 0.772721 0.731310 Se\n0.639743 0.776758 0.234572 Se\n0.360257 0.276758 0.765428 Se\n0.639743 0.276758 0.265428 Se\n0.360257 0.776758 0.734572 Se\n",
"nsites": 56,
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"elements": [
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],
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"formula_full": "La16 Mg8 Se32",
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"updated_at": "2021-11-28T01:36:56.673000Z",
"spacegroup": 29
},
{
"id": "mp-972916",
"created_at": "2022-09-04T14:45:32.384230Z",
"structure_string": "Mg2 Cu2\n1.0\n3.159259 0.000000 0.000000\n0.000000 4.436737 0.000000\n0.000000 0.000000 4.461318\nMg Cu\n2 2\ndirect\n0.500000 0.750000 0.236041 Mg\n0.500000 0.250000 0.763959 Mg\n0.000000 0.750000 0.723223 Cu\n0.000000 0.250000 0.276777 Cu\n",
"nsites": 4,
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"elements": [
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"formula_full": "Mg2 Cu2",
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