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{
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"results": [
{
"id": "mp-1205514",
"created_at": "2022-09-04T14:46:20.453153Z",
"structure_string": "Ba2 Pu1 Ta1 O6\n1.0\n0.000000 4.314711 4.314711\n4.314711 0.000000 4.314711\n4.314711 4.314711 0.000000\nBa Pu Ta O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 Ta\n0.765678 0.234322 0.234322 O\n0.234322 0.765678 0.765678 O\n0.234322 0.765678 0.234322 O\n0.765678 0.234322 0.765678 O\n0.234322 0.234322 0.765678 O\n0.765678 0.765678 0.234322 O\n",
"nsites": 10,
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"elements": [
"Ba",
"Pu",
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"O"
],
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"density": 8.223520920753485,
"density_atomic": 0.06224649020696281,
"volume": 160.65162817616041,
"volume_molar": 9.674667182000203,
"formula_full": "Ba2 Pu1 Ta1 O6",
"formula_reduced": "Ba2PuTaO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "mp-862944",
"created_at": "2022-09-04T14:46:20.454869Z",
"structure_string": "Er2 Cu1 Ru1\n1.0\n0.000000 3.403808 3.403808\n3.403808 0.000000 3.403808\n3.403808 3.403808 0.000000\nEr Cu Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.750000 0.750000 0.750000 Er\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
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"elements": [
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"Cu",
"Ru"
],
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"density": 10.508508791714418,
"density_atomic": 0.050714813371376226,
"volume": 78.8724188080642,
"volume_molar": 11.874520203595852,
"formula_full": "Er2 Cu1 Ru1",
"formula_reduced": "Er2CuRu",
"formula_anonymous": "ABC2",
"energy": -24.05161486,
"energy_per_atom": -6.012903715,
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"decomposes_to": null,
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"energy_uncorrected": -24.05161486,
"band_gap": 0.0,
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"total_magnetization": 0.0015639,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.722000Z",
"spacegroup": 225
},
{
"id": "mp-1366770",
"created_at": "2022-09-04T14:46:20.466084Z",
"structure_string": "Li5 Co3 Sn2 O10\n1.0\n5.266387 0.000000 0.000000\n-0.987221 5.179914 0.000000\n-1.650377 -2.807742 7.327460\nLi Co Sn O\n5 3 2 10\ndirect\n0.820722 0.514100 0.401140 Li\n0.620202 0.495528 0.797068 Li\n0.000000 0.000000 0.500000 Li\n0.379798 0.504472 0.202932 Li\n0.179278 0.485900 0.598860 Li\n0.000000 0.500000 0.000000 Co\n0.803672 0.999390 0.899225 Co\n0.196328 0.000610 0.100775 Co\n0.408751 0.008464 0.698626 Sn\n0.591249 0.991536 0.301374 Sn\n0.207822 0.237670 0.851414 O\n0.373423 0.745961 0.950653 O\n0.596294 0.768707 0.546195 O\n0.992450 0.262608 0.222983 O\n0.797563 0.229450 0.661079 O\n0.202437 0.770550 0.338921 O\n0.007550 0.737392 0.777017 O\n0.403706 0.231293 0.453805 O\n0.626577 0.254039 0.049347 O\n0.792178 0.762330 0.148586 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Co",
"Sn",
"O"
],
"chemical_system": "Co-Li-O-Sn",
"density": 5.058474338799019,
"density_atomic": 0.10005555836211809,
"volume": 199.88894497611614,
"volume_molar": 6.018796815070331,
"formula_full": "Li5 Co3 Sn2 O10",
"formula_reduced": "Li5Co3(SnO5)2",
"formula_anonymous": "A2B3C5D10",
"energy": -96.80028162,
"energy_per_atom": -4.8400140810000005,
"energy_above_hull": null,
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"energy_uncorrected": -85.01628162,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.3328976,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.256000Z",
"spacegroup": 2
},
{
"id": "mp-850939",
"created_at": "2022-09-04T14:46:20.473161Z",
"structure_string": "Li2 Mn1 V1 P4 O14\n1.0\n4.854780 -0.015621 0.004812\n0.101694 8.336835 -0.004639\n-2.261363 -0.186684 6.708292\nLi Mn V P O\n2 1 1 4 14\ndirect\n0.172642 0.859216 0.670747 Li\n0.824486 0.355997 0.329947 Li\n0.790956 0.998777 0.271768 Mn\n0.211359 0.499436 0.725272 V\n0.402755 0.175536 0.522722 P\n0.220091 0.785797 0.091007 P\n0.784191 0.288949 0.912340 P\n0.600458 0.680794 0.480663 P\n0.042901 0.326748 0.843315 O\n0.141891 0.698986 0.888719 O\n0.188516 0.033542 0.477751 O\n0.248474 0.337737 0.505038 O\n0.388843 0.674776 0.601839 O\n0.594698 0.438140 0.910424 O\n0.591881 0.153188 0.752391 O\n0.405170 0.657120 0.247983 O\n0.405869 0.935380 0.096090 O\n0.610461 0.171586 0.397102 O\n0.755983 0.841350 0.506464 O\n0.809035 0.536925 0.513393 O\n0.865157 0.207909 0.111706 O\n0.944180 0.827691 0.143319 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.8591085491381265,
"density_atomic": 0.08099999030971243,
"volume": 271.60497076457125,
"volume_molar": 7.434742568454241,
"formula_full": "Li2 Mn1 V1 P4 O14",
"formula_reduced": "Li2MnV(P2O7)2",
"formula_anonymous": "ABC2D4E14",
"energy": -171.61290649,
"energy_per_atom": -7.800586658636363,
"energy_above_hull": null,
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"energy_uncorrected": -158.62690649,
"band_gap": 0.0101000000000004,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:37:27.513000Z",
"spacegroup": 1
},
{
"id": "mp-1029828",
"created_at": "2022-09-04T14:46:20.474751Z",
"structure_string": "Rb8 Cr8 N16\n1.0\n5.765941 0.000000 0.000000\n0.000000 8.154764 0.000000\n0.000000 0.000000 11.531802\nRb Cr N\n8 8 16\ndirect\n0.750000 0.125243 0.000000 Rb\n0.250000 0.874757 0.500000 Rb\n0.250000 0.874757 0.000000 Rb\n0.750000 0.125243 0.500000 Rb\n0.738674 0.375023 0.250000 Rb\n0.238674 0.624977 0.250000 Rb\n0.261326 0.624977 0.750000 Rb\n0.761326 0.375023 0.750000 Rb\n0.250000 0.374931 0.000000 Cr\n0.750000 0.625069 0.500000 Cr\n0.750000 0.625069 0.000000 Cr\n0.250000 0.374931 0.500000 Cr\n0.241651 0.124947 0.250000 Cr\n0.741651 0.875053 0.250000 Cr\n0.758349 0.875053 0.750000 Cr\n0.258349 0.124947 0.750000 Cr\n0.985402 0.006064 0.250000 N\n0.485402 0.993936 0.250000 N\n0.014598 0.993936 0.750000 N\n0.514598 0.006064 0.750000 N\n0.248222 0.249753 0.375023 N\n0.748222 0.750247 0.124977 N\n0.751778 0.750247 0.875023 N\n0.251778 0.249753 0.624977 N\n0.751778 0.750247 0.624977 N\n0.251778 0.249753 0.875023 N\n0.248222 0.249753 0.124977 N\n0.748222 0.750247 0.375023 N\n0.500000 0.500000 0.500000 N\n0.000000 0.500000 0.000000 N\n0.500000 0.500000 0.000000 N\n0.000000 0.500000 0.500000 N\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Rb",
"Cr",
"N"
],
"chemical_system": "Cr-N-Rb",
"density": 4.054140004764917,
"density_atomic": 0.05901619564225079,
"volume": 542.2240395497572,
"volume_molar": 10.20421715507639,
"formula_full": "Rb8 Cr8 N16",
"formula_reduced": "RbCrN2",
"formula_anonymous": "ABC2",
"energy": -239.19000365,
"energy_per_atom": -7.4746876140625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -233.41400365,
"band_gap": 0.4586999999999999,
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"total_magnetization": 0.0034198,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.070000Z",
"spacegroup": 57
},
{
"id": "mp-31172",
"created_at": "2022-09-04T14:46:20.477367Z",
"structure_string": "Ca10 Ag6\n1.0\n-4.010035 4.010035 7.474272\n4.010035 -4.010035 7.474272\n4.010035 4.010035 -7.474272\nCa Ag\n10 6\ndirect\n0.478279 0.978279 0.165324 Ca\n0.187046 0.687046 0.165324 Ca\n0.521721 0.021721 0.834676 Ca\n0.021721 0.187046 0.500000 Ca\n0.687046 0.521721 0.500000 Ca\n0.978279 0.812954 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.812954 0.312954 0.834676 Ca\n0.312954 0.478279 0.500000 Ca\n0.126837 0.626837 0.753673 Ag\n0.626837 0.873163 0.500000 Ag\n0.373163 0.126837 0.500000 Ag\n0.873163 0.373163 0.246327 Ag\n0.750000 0.750000 0.000000 Ag\n0.250000 0.250000 0.000000 Ag\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ca",
"Ag"
],
"chemical_system": "Ag-Ca",
"density": 3.6197675996419205,
"density_atomic": 0.03328087733891022,
"volume": 480.75655689802556,
"volume_molar": 18.094897855830368,
"formula_full": "Ca10 Ag6",
"formula_reduced": "Ca5Ag3",
"formula_anonymous": "A3B5",
"energy": -41.59508219,
"energy_per_atom": -2.599692636875,
"energy_above_hull": null,
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"energy_uncorrected": -41.59508219,
"band_gap": 0.0,
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"total_magnetization": 0.0005486,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:23.164000Z",
"spacegroup": 140
},
{
"id": "mp-1185534",
"created_at": "2022-09-04T14:46:20.481226Z",
"structure_string": "Ho1 Mg149\n1.0\n13.878054 -8.012663 -0.000007\n-0.000152 16.025064 0.000014\n-0.000000 0.000013 15.656133\nHo Mg\n1 149\ndirect\n0.999992 0.999971 0.000024 Ho\n0.600039 0.200077 0.999999 Mg\n0.799371 0.200631 0.999999 Mg\n0.401261 0.200630 1.000000 Mg\n0.002690 0.204616 0.999999 Mg\n0.201926 0.204611 0.999998 Mg\n0.000157 0.400224 0.999997 Mg\n0.400069 0.400222 0.999999 Mg\n0.600039 0.399958 0.000002 Mg\n0.799925 0.399964 0.000002 Mg\n0.201487 0.402972 0.999999 Mg\n0.799368 0.598735 1.000000 Mg\n0.200460 0.600232 0.000001 Mg\n0.399774 0.600232 0.000001 Mg\n0.599774 0.599931 0.999995 Mg\n0.000159 0.599930 0.999998 Mg\n0.597032 0.798521 0.999999 Mg\n0.201485 0.798518 0.000002 Mg\n0.002681 0.798068 0.999996 Mg\n0.795367 0.798054 0.000000 Mg\n0.399771 0.799545 0.999997 Mg\n0.795368 0.997317 0.999998 Mg\n0.201932 0.997316 0.999999 Mg\n0.400075 0.999846 0.000000 Mg\n0.599774 0.999849 0.000000 Mg\n0.867905 0.132093 0.164746 Mg\n0.264177 0.132088 0.164747 Mg\n0.867914 0.735821 0.164749 Mg\n0.666664 0.333332 0.166068 Mg\n0.667317 0.133021 0.166510 Mg\n0.465708 0.133020 0.166511 Mg\n0.866982 0.332683 0.166506 Mg\n0.465703 0.332686 0.166510 Mg\n0.866979 0.534298 0.166510 Mg\n0.667312 0.534293 0.166508 Mg\n0.466636 0.533362 0.167182 Mg\n0.066727 0.533365 0.167181 Mg\n0.466637 0.933273 0.167179 Mg\n0.267107 0.534218 0.167267 Mg\n0.267109 0.732892 0.167268 Mg\n0.465780 0.732892 0.167264 Mg\n0.067972 0.335433 0.167592 Mg\n0.267463 0.335435 0.167588 Mg\n0.067969 0.732537 0.167589 Mg\n0.664566 0.732539 0.167592 Mg\n0.664569 0.932031 0.167592 Mg\n0.267461 0.932028 0.167590 Mg\n0.067872 0.135752 0.169460 Mg\n0.067881 0.932123 0.169462 Mg\n0.864248 0.932128 0.169461 Mg\n0.399632 0.199818 0.332833 Mg\n0.800185 0.199814 0.332830 Mg\n0.800184 0.600372 0.332834 Mg\n0.599949 0.199892 0.332703 Mg\n0.599946 0.400054 0.332705 Mg\n0.800106 0.400051 0.332705 Mg\n0.200559 0.000028 0.333456 Mg\n0.799471 0.000031 0.333457 Mg\n0.200559 0.200531 0.333458 Mg\n0.999967 0.200525 0.333454 Mg\n0.999970 0.799442 0.333453 Mg\n0.799474 0.799446 0.333456 Mg\n0.599753 0.000159 0.333699 Mg\n0.400404 0.000158 0.333705 Mg\n0.999838 0.400245 0.333701 Mg\n0.400409 0.400246 0.333702 Mg\n0.999843 0.599593 0.333699 Mg\n0.599756 0.599595 0.333701 Mg\n0.400114 0.599884 0.333586 Mg\n0.199766 0.599882 0.333585 Mg\n0.400116 0.800229 0.333585 Mg\n0.200168 0.400336 0.334090 Mg\n0.599672 0.799835 0.334091 Mg\n0.200164 0.799835 0.334092 Mg\n0.000002 -0.000000 0.334762 Mg\n0.267066 0.133532 0.500000 Mg\n0.866468 0.133534 0.499998 Mg\n0.066783 0.133566 0.499998 Mg\n0.667111 0.134072 0.500001 Mg\n0.466959 0.134073 0.500001 Mg\n0.466965 0.332894 0.499999 Mg\n0.865932 0.332892 0.500000 Mg\n0.666669 0.333331 0.500002 Mg\n0.266689 0.333480 0.500002 Mg\n0.066793 0.333484 0.499996 Mg\n0.865930 0.533043 0.499999 Mg\n0.667112 0.533045 0.499999 Mg\n0.467020 0.532980 0.500000 Mg\n0.065964 0.532979 0.500001 Mg\n0.266749 0.533494 0.500000 Mg\n0.866466 0.732935 0.499998 Mg\n0.666518 0.733308 0.500003 Mg\n0.066790 0.733312 0.499997 Mg\n0.266745 0.733253 0.499999 Mg\n0.466508 0.733255 0.499999 Mg\n0.066787 0.933219 0.500000 Mg\n0.866428 0.933214 0.500001 Mg\n0.266688 0.933211 0.500005 Mg\n0.666519 0.933210 0.500000 Mg\n0.467017 0.934034 0.499999 Mg\n0.999999 0.999999 0.665238 Mg\n0.200164 0.400330 0.665910 Mg\n0.599669 0.799838 0.665907 Mg\n0.200167 0.799835 0.665906 Mg\n0.400115 0.599884 0.666413 Mg\n0.199769 0.599885 0.666410 Mg\n0.400120 0.800234 0.666416 Mg\n0.599756 0.000162 0.666300 Mg\n0.400406 0.000161 0.666297 Mg\n0.999840 0.400245 0.666299 Mg\n0.400403 0.400247 0.666296 Mg\n0.999844 0.599592 0.666297 Mg\n0.599749 0.599592 0.666300 Mg\n0.200555 0.000025 0.666545 Mg\n0.799469 0.000030 0.666544 Mg\n0.200557 0.200531 0.666545 Mg\n0.999974 0.200533 0.666543 Mg\n0.999973 0.799441 0.666541 Mg\n0.799468 0.799439 0.666542 Mg\n0.599947 0.199892 0.667295 Mg\n0.599948 0.400055 0.667301 Mg\n0.800110 0.400058 0.667296 Mg\n0.399628 0.199816 0.667169 Mg\n0.800185 0.199813 0.667161 Mg\n0.800187 0.600377 0.667167 Mg\n0.067865 0.135747 0.830539 Mg\n0.067878 0.932118 0.830532 Mg\n0.864255 0.932133 0.830541 Mg\n0.067971 0.335433 0.832408 Mg\n0.267464 0.335435 0.832411 Mg\n0.067973 0.732536 0.832408 Mg\n0.664566 0.732542 0.832412 Mg\n0.664569 0.932030 0.832409 Mg\n0.267464 0.932029 0.832408 Mg\n0.267111 0.534222 0.832736 Mg\n0.267106 0.732888 0.832731 Mg\n0.465780 0.732890 0.832732 Mg\n0.466633 0.533361 0.832819 Mg\n0.066731 0.533361 0.832822 Mg\n0.466638 0.933272 0.832821 Mg\n0.667319 0.133019 0.833490 Mg\n0.465702 0.133017 0.833489 Mg\n0.866981 0.332680 0.833490 Mg\n0.465703 0.332684 0.833490 Mg\n0.866983 0.534296 0.833491 Mg\n0.667317 0.534294 0.833494 Mg\n0.666666 0.333329 0.833943 Mg\n0.867906 0.132088 0.835254 Mg\n0.264185 0.132092 0.835254 Mg\n0.867911 0.735820 0.835254 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Ho",
"Mg"
],
"chemical_system": "Ho-Mg",
"density": 1.805769397868543,
"density_atomic": 0.04308050541258614,
"volume": 3481.853301474428,
"volume_molar": 13.978807124766481,
"formula_full": "Ho1 Mg149",
"formula_reduced": "HoMg149",
"formula_anonymous": "AB149",
"energy": -246.879873,
"energy_per_atom": -1.64586582,
"energy_above_hull": null,
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"band_gap": 0.2799,
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"updated_at": "2021-11-28T01:37:26.075000Z",
"spacegroup": 187
},
{
"id": "mp-8017",
"created_at": "2022-09-04T14:46:20.484841Z",
"structure_string": "Al2 Cu2 Te4\n1.0\n-3.042325 3.042325 6.046239\n3.042325 -3.042325 6.046239\n3.042325 3.042325 -6.046239\nAl Cu Te\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.750000 0.250000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.375000 0.366213 0.491213 Te\n0.633787 0.125000 0.008787 Te\n0.116213 0.625000 0.991213 Te\n0.875000 0.883787 0.508787 Te\n",
"nsites": 8,
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"elements": [
"Al",
"Cu",
"Te"
],
"chemical_system": "Al-Cu-Te",
"density": 5.129281725429765,
"density_atomic": 0.035738265668962696,
"volume": 223.8496986424188,
"volume_molar": 16.850679928852834,
"formula_full": "Al2 Cu2 Te4",
"formula_reduced": "AlCuTe2",
"formula_anonymous": "ABC2",
"energy": -32.66678639,
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