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"results": [
{
"id": "mp-569770",
"created_at": "2022-09-04T14:42:24.493090Z",
"structure_string": "Si16 H96 C32\n1.0\n10.655335 0.000000 0.000000\n0.284474 10.667415 0.000000\n0.287416 3.392115 14.355913\nSi H C\n16 96 32\ndirect\n0.952487 0.794871 0.999869 Si\n0.650599 0.417091 0.604440 Si\n0.134008 0.886971 0.917351 Si\n0.047513 0.205129 0.000131 Si\n0.291564 0.727501 0.907998 Si\n0.206659 0.048260 0.989502 Si\n0.195788 0.244270 0.428123 Si\n0.520253 0.282550 0.541083 Si\n0.793341 0.951740 0.010498 Si\n0.865992 0.113029 0.082649 Si\n0.320156 0.378385 0.497186 Si\n0.479747 0.717450 0.458917 Si\n0.679844 0.621615 0.502814 Si\n0.708436 0.272499 0.092002 Si\n0.349401 0.582909 0.395560 Si\n0.804212 0.755730 0.571877 Si\n0.382150 0.679302 0.620020 H\n0.907549 0.667000 0.162615 H\n0.225084 0.300252 0.657680 H\n0.447463 0.653392 0.236221 H\n0.791342 0.641581 0.968744 H\n0.297427 0.800436 0.540273 H\n0.687156 0.816575 0.153317 H\n0.347515 0.906949 0.108137 H\n0.634208 0.856937 0.654424 H\n0.016042 0.041265 0.788156 H\n0.895866 0.885698 0.422056 H\n0.136284 0.433126 0.593756 H\n0.591191 0.443062 0.978233 H\n0.701802 0.719305 0.730192 H\n0.640002 0.488023 0.755957 H\n0.417955 0.856874 0.774396 H\n0.056156 0.405010 0.321608 H\n0.421953 0.073389 0.913994 H\n0.983958 0.958735 0.211844 H\n0.852508 0.437056 0.128965 H\n0.756636 0.961461 0.453449 H\n0.304871 0.536939 0.836444 H\n0.617850 0.320698 0.379980 H\n0.312844 0.183425 0.846683 H\n0.945254 0.105436 0.244389 H\n0.695129 0.463061 0.163556 H\n0.720031 0.540769 0.355510 H\n0.898711 0.970965 0.512256 H\n0.978988 0.257299 0.365089 H\n0.856551 0.313575 0.569523 H\n0.477318 0.872701 0.882621 H\n0.374029 0.215583 0.949935 H\n0.133466 0.279887 0.136846 H\n0.792580 0.230468 0.678126 H\n0.298198 0.280695 0.269808 H\n0.558387 0.162932 0.414015 H\n0.243364 0.038539 0.546551 H\n0.789664 0.338840 0.232715 H\n0.489125 0.498611 0.705418 H\n0.007399 0.630942 0.563390 H\n0.958605 0.237269 0.838425 H\n0.143449 0.686425 0.430477 H\n0.104134 0.114302 0.577944 H\n0.447522 0.057039 0.609396 H\n0.041395 0.762731 0.161575 H\n0.365792 0.143063 0.345576 H\n0.441613 0.837068 0.585985 H\n0.774916 0.699748 0.342320 H\n0.055051 0.408381 0.058824 H\n0.147492 0.562944 0.871035 H\n0.992601 0.369058 0.436610 H\n0.552537 0.346608 0.763779 H\n0.258405 0.585291 0.067892 H\n0.054431 0.618514 0.121481 H\n0.208658 0.358419 0.031256 H\n0.625971 0.784417 0.050065 H\n0.092451 0.333000 0.837385 H\n0.130694 0.621310 0.330596 H\n0.588519 0.086396 0.662854 H\n0.411481 0.913604 0.337146 H\n0.171458 0.011152 0.751752 H\n0.210336 0.661160 0.767285 H\n0.863716 0.566874 0.406244 H\n0.943844 0.594990 0.678392 H\n0.380762 0.694627 0.068209 H\n0.054746 0.894564 0.755611 H\n0.944949 0.591619 0.941176 H\n0.194076 0.916931 0.154976 H\n0.021012 0.742701 0.634911 H\n0.297597 0.047067 0.145875 H\n0.552478 0.942961 0.390604 H\n0.510875 0.501389 0.294582 H\n0.408809 0.556938 0.021767 H\n0.207420 0.769532 0.321874 H\n0.619238 0.305373 0.931791 H\n0.828542 0.988848 0.248248 H\n0.866534 0.720113 0.863154 H\n0.522682 0.127299 0.117379 H\n0.490266 0.269982 0.157012 H\n0.805924 0.083069 0.845024 H\n0.578047 0.926611 0.086006 H\n0.702573 0.199564 0.459727 H\n0.741595 0.414709 0.932108 H\n0.582045 0.143126 0.225604 H\n0.509734 0.730018 0.842988 H\n0.652485 0.093051 0.891863 H\n0.279969 0.459231 0.644490 H\n0.783920 0.866427 0.702825 H\n0.101289 0.029035 0.487744 H\n0.945569 0.381486 0.878519 H\n0.869306 0.378690 0.669404 H\n0.443209 0.149361 0.695359 H\n0.702403 0.952933 0.854125 H\n0.556791 0.850639 0.304641 H\n0.216080 0.133573 0.297175 H\n0.359998 0.511977 0.244043 H\n0.502195 0.870441 0.363987 C\n0.041857 0.327275 0.384040 C\n0.497805 0.129559 0.636013 C\n0.089491 0.966174 0.791443 C\n0.423914 0.560030 0.282118 C\n0.232470 0.611706 0.839340 C\n0.341498 0.138620 0.918253 C\n0.767530 0.388294 0.160660 C\n0.232281 0.394727 0.608732 C\n0.607727 0.237361 0.439066 C\n0.842065 0.907312 0.481174 C\n0.658502 0.861380 0.081747 C\n0.007101 0.297472 0.877196 C\n0.910509 0.033826 0.208557 C\n0.722863 0.803787 0.674105 C\n0.562770 0.195540 0.153748 C\n0.958143 0.672725 0.615960 C\n0.882080 0.676150 0.937174 C\n0.992899 0.702528 0.122804 C\n0.767719 0.605273 0.391268 C\n0.192922 0.673325 0.367133 C\n0.277137 0.196213 0.325895 C\n0.576086 0.439970 0.717882 C\n0.807078 0.326675 0.632867 C\n0.392273 0.762639 0.560934 C\n0.661241 0.367402 0.972410 C\n0.338759 0.632598 0.027590 C\n0.732990 0.027301 0.889039 C\n0.437230 0.804460 0.846252 C\n0.117920 0.323850 0.062826 C\n0.267010 0.972699 0.110961 C\n0.157935 0.092688 0.518826 C\n",
"nsites": 144,
"nelements": 3,
"elements": [
"Si",
"H",
"C"
],
"chemical_system": "C-H-Si",
"density": 0.9468814049278537,
"density_atomic": 0.08824810229649142,
"volume": 1631.763134307367,
"volume_molar": 6.824102279012327,
"formula_full": "Si16 H96 C32",
"formula_reduced": "Si(H3C)2",
"formula_anonymous": "AB2C6",
"energy": -734.28708664,
"energy_per_atom": -5.099215879444444,
"energy_above_hull": null,
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"energy_uncorrected": -734.28708664,
"band_gap": 3.482,
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"updated_at": "2021-11-28T01:35:44.897000Z",
"spacegroup": 2
},
{
"id": "mp-1104687",
"created_at": "2022-09-04T14:42:24.513193Z",
"structure_string": "Ho10 Ir4\n1.0\n0.000000 6.485312 0.000000\n-0.008114 0.000000 7.170224\n7.759714 -3.242656 -0.918270\nHo Ir\n10 4\ndirect\n0.969722 0.918281 0.181771 Ho\n0.787952 0.581719 0.818229 Ho\n0.030278 0.081719 0.818229 Ho\n0.212048 0.418281 0.181771 Ho\n0.654005 0.818647 0.442434 Ho\n0.211571 0.681353 0.557566 Ho\n0.345995 0.181353 0.557566 Ho\n0.788429 0.318647 0.442434 Ho\n0.427291 0.750000 0.000000 Ho\n0.572709 0.250000 0.000000 Ho\n0.827204 0.573362 0.218958 Ir\n0.608247 0.926638 0.781042 Ir\n0.172796 0.426638 0.781042 Ir\n0.391753 0.073362 0.218958 Ir\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ho",
"Ir"
],
"chemical_system": "Ho-Ir",
"density": 11.129739301109906,
"density_atomic": 0.03880403480248642,
"volume": 360.7872240930712,
"volume_molar": 15.519367484986699,
"formula_full": "Ho10 Ir4",
"formula_reduced": "Ho5Ir2",
"formula_anonymous": "A2B5",
"energy": -90.69390783,
"energy_per_atom": -6.478136273571429,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:46.031000Z",
"spacegroup": 15
},
{
"id": "mp-1025240",
"created_at": "2022-09-04T14:42:24.535174Z",
"structure_string": "Dy2 Re2 Si2 C1\n1.0\n1.997157 5.477289 0.000000\n-1.997157 5.477289 0.000000\n0.000000 4.230129 5.505979\nDy Re Si C\n2 2 2 1\ndirect\n0.428188 0.428188 0.299819 Dy\n0.571812 0.571812 0.700181 Dy\n0.792862 0.792862 0.092406 Re\n0.207138 0.207138 0.907594 Re\n0.857885 0.857885 0.682192 Si\n0.142115 0.142115 0.317808 Si\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Dy",
"Re",
"Si",
"C"
],
"chemical_system": "C-Dy-Re-Si",
"density": 10.5537347196018,
"density_atomic": 0.05811063624439551,
"volume": 120.45987537565665,
"volume_molar": 10.363233220632315,
"formula_full": "Dy2 Re2 Si2 C1",
"formula_reduced": "Dy2Re2Si2C",
"formula_anonymous": "AB2C2D2",
"energy": -58.39033531,
"energy_per_atom": -8.341476472857142,
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"total_magnetization": 2.93e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.782000Z",
"spacegroup": 12
},
{
"id": "mp-867176",
"created_at": "2022-09-04T14:42:38.014892Z",
"structure_string": "Pr1 Cd1 Au2\n1.0\n0.000000 3.590362 3.590362\n3.590362 0.000000 3.590362\n3.590362 3.590362 0.000000\nPr Cd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\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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"elements": [
"Pr",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Pr",
"density": 11.61121440180887,
"density_atomic": 0.04321308575289502,
"volume": 92.56455377598263,
"volume_molar": 13.935919305638922,
"formula_full": "Pr1 Cd1 Au2",
"formula_reduced": "PrCdAu2",
"formula_anonymous": "ABC2",
"energy": -14.81340105,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:01.797000Z",
"spacegroup": 225
},
{
"id": "mp-768618",
"created_at": "2022-09-04T14:42:25.398327Z",
"structure_string": "Li6 Fe4 P4 C4 O28\n1.0\n6.478152 0.000000 0.000000\n0.000000 9.443503 0.000000\n0.000000 4.625608 9.064525\nLi Fe P C O\n6 4 4 4 28\ndirect\n0.749718 0.669036 0.437562 Li\n0.753884 0.168024 0.933142 Li\n0.536276 0.516308 0.766270 Li\n0.036276 0.483692 0.233730 Li\n0.253884 0.831976 0.066858 Li\n0.249718 0.330964 0.562438 Li\n0.247205 0.261630 0.068370 Fe\n0.244763 0.770719 0.563589 Fe\n0.744763 0.229281 0.436411 Fe\n0.747205 0.738370 0.931630 Fe\n0.751552 0.351251 0.070056 P\n0.749275 0.845140 0.576599 P\n0.249275 0.154860 0.423401 P\n0.251552 0.648749 0.929944 P\n0.242810 0.664275 0.374777 C\n0.255524 0.170796 0.871337 C\n0.755524 0.829204 0.128663 C\n0.742810 0.335725 0.625223 C\n0.246080 0.064628 0.009046 O\n0.251344 0.559409 0.513399 O\n0.751828 0.856527 0.238294 O\n0.258093 0.811715 0.350265 O\n0.718296 0.369036 0.732421 O\n0.267702 0.318716 0.850319 O\n0.935792 0.263790 0.041408 O\n0.561725 0.258687 0.057213 O\n0.937827 0.755817 0.556078 O\n0.564728 0.743609 0.566392 O\n0.248465 0.146158 0.276218 O\n0.741062 0.018125 0.453155 O\n0.274709 0.640935 0.782288 O\n0.733332 0.525149 0.942848 O\n0.233332 0.474851 0.057152 O\n0.774709 0.359065 0.217712 O\n0.241062 0.981875 0.546845 O\n0.748465 0.853842 0.723782 O\n0.437827 0.244183 0.443922 O\n0.064728 0.256391 0.433608 O\n0.061725 0.741313 0.942787 O\n0.435792 0.736210 0.958592 O\n0.767702 0.681284 0.149681 O\n0.218296 0.630964 0.267579 O\n0.758093 0.188285 0.649735 O\n0.251828 0.143473 0.761706 O\n0.751344 0.440591 0.486601 O\n0.746080 0.935372 0.990954 O\n",
"nsites": 46,
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"elements": [
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-O-P",
"density": 2.6499463093839295,
"density_atomic": 0.08295231757246342,
"volume": 554.5354409153965,
"volume_molar": 7.259761916524307,
"formula_full": "Li6 Fe4 P4 C4 O28",
"formula_reduced": "Li3Fe2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E14",
"energy": -342.62301624,
"energy_per_atom": -7.448326440000001,
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"updated_at": "2021-11-28T01:35:44.283000Z",
"spacegroup": 4
},
{
"id": "mp-1202399",
"created_at": "2022-09-04T14:42:25.403411Z",
"structure_string": "Tm10 Si20 Ir8\n1.0\n12.579405 0.000000 0.000000\n0.000000 12.579405 0.000000\n0.000000 0.000000 4.231212\nTm Si Ir\n10 20 8\ndirect\n0.500000 0.500000 0.000000 Tm\n0.000000 0.000000 0.000000 Tm\n0.675425 0.175425 0.500000 Tm\n0.324575 0.824575 0.500000 Tm\n0.175425 0.324575 0.500000 Tm\n0.824575 0.675425 0.500000 Tm\n0.884082 0.384082 0.500000 Tm\n0.115918 0.615918 0.500000 Tm\n0.384082 0.115918 0.500000 Tm\n0.615918 0.884082 0.500000 Tm\n0.565607 0.065607 0.000000 Si\n0.434393 0.934393 0.000000 Si\n0.065607 0.434393 0.000000 Si\n0.934393 0.565607 0.000000 Si\n0.664079 0.700806 0.000000 Si\n0.335921 0.299194 0.000000 Si\n0.164079 0.799194 0.000000 Si\n0.835921 0.200806 0.000000 Si\n0.299194 0.664079 0.000000 Si\n0.700806 0.335921 0.000000 Si\n0.200806 0.164079 0.000000 Si\n0.799194 0.835921 0.000000 Si\n0.655543 0.503724 0.500000 Si\n0.344457 0.496276 0.500000 Si\n0.155543 0.996276 0.500000 Si\n0.844457 0.003724 0.500000 Si\n0.496276 0.655543 0.500000 Si\n0.503724 0.344457 0.500000 Si\n0.003724 0.155543 0.500000 Si\n0.996276 0.844457 0.500000 Si\n0.745934 0.520555 0.000000 Ir\n0.254066 0.479445 0.000000 Ir\n0.245934 0.979445 0.000000 Ir\n0.754066 0.020555 0.000000 Ir\n0.479445 0.745934 0.000000 Ir\n0.520555 0.254066 0.000000 Ir\n0.020555 0.245934 0.000000 Ir\n0.979445 0.754066 0.000000 Ir\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Tm",
"Si",
"Ir"
],
"chemical_system": "Ir-Si-Tm",
"density": 9.396463456222818,
"density_atomic": 0.056754279099608514,
"volume": 669.5530381648724,
"volume_molar": 10.610901689775037,
"formula_full": "Tm10 Si20 Ir8",
"formula_reduced": "Tm5(Si5Ir2)2",
"formula_anonymous": "A4B5C10",
"energy": -256.48856043,
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"updated_at": "2021-11-28T01:35:45.783000Z",
"spacegroup": 127
},
{
"id": "mp-861553",
"created_at": "2022-09-04T14:42:25.406636Z",
"structure_string": "Li6 Mn3 Cr2 Fe3 O16\n1.0\n5.864488 0.000000 0.000000\n2.889993 5.110706 0.000000\n0.133667 0.036324 9.559814\nLi Mn Cr Fe O\n6 3 2 3 16\ndirect\n0.345150 0.831314 0.943218 Li\n0.834547 0.343418 0.942540 Li\n0.828511 0.827886 0.944773 Li\n0.174811 0.173636 0.441150 Li\n0.175518 0.655347 0.444324 Li\n0.654353 0.173893 0.445478 Li\n0.830919 0.830920 0.214822 Mn\n0.171229 0.662827 0.714586 Mn\n0.663251 0.167092 0.714206 Mn\n0.660192 0.669243 0.488241 Cr\n0.334433 0.330712 0.987461 Cr\n0.333617 0.830961 0.212467 Fe\n0.830874 0.333575 0.212683 Fe\n0.164980 0.168451 0.711319 Fe\n0.316192 0.835028 0.595395 O\n0.517473 0.517246 0.346034 O\n0.674022 0.673196 0.098783 O\n0.833765 0.321692 0.595296 O\n0.524411 0.965061 0.341514 O\n0.964749 0.526373 0.343323 O\n0.159864 0.159508 0.092161 O\n0.823150 0.851357 0.598850 O\n0.041770 0.488963 0.842336 O\n0.153499 0.677683 0.097220 O\n0.993043 0.992681 0.323955 O\n0.488179 0.036438 0.842498 O\n0.980739 0.016182 0.824603 O\n0.352076 0.317379 0.597143 O\n0.499470 0.473459 0.844795 O\n0.677347 0.151085 0.099547 O\n",
"nsites": 30,
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"elements": [
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"Cr",
"Fe",
"O"
],
"chemical_system": "Cr-Fe-Li-Mn-O",
"density": 4.253745871251265,
"density_atomic": 0.10470340658002326,
"volume": 286.5236287901621,
"volume_molar": 5.751618745467816,
"formula_full": "Li6 Mn3 Cr2 Fe3 O16",
"formula_reduced": "Li6Mn3Cr2Fe3O16",
"formula_anonymous": "A2B3C3D6E16",
"energy": -223.58418599,
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