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{
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"results": [
{
"id": "mp-1104142",
"created_at": "2022-09-04T14:42:16.260972Z",
"structure_string": "Yb3 Zn11\n1.0\n4.377119 0.000000 0.000000\n2.188560 4.458629 6.550451\n2.188560 -4.458629 6.550451\nYb Zn\n3 11\ndirect\n0.000000 0.000000 0.000000 Yb\n0.704404 0.295596 0.295596 Yb\n0.295596 0.704404 0.704404 Yb\n0.000000 0.500000 0.500000 Zn\n0.500000 0.684586 0.315414 Zn\n0.500000 0.315414 0.684586 Zn\n0.662870 0.694136 0.980124 Zn\n0.337130 0.305864 0.019876 Zn\n0.662870 0.980124 0.694136 Zn\n0.337130 0.019876 0.305864 Zn\n0.865869 0.422434 0.845827 Zn\n0.134131 0.577566 0.154173 Zn\n0.865869 0.845827 0.422434 Zn\n0.134131 0.154173 0.577566 Zn\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Yb",
"Zn"
],
"chemical_system": "Yb-Zn",
"density": 8.04444240853594,
"density_atomic": 0.054756684946155064,
"volume": 255.67654458568643,
"volume_molar": 10.998001003752996,
"formula_full": "Yb3 Zn11",
"formula_reduced": "Yb3Zn11",
"formula_anonymous": "A3B11",
"energy": -22.84537002,
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"updated_at": "2021-11-28T01:35:40.810000Z",
"spacegroup": 71
},
{
"id": "mp-1094309",
"created_at": "2022-09-04T14:47:56.455878Z",
"structure_string": "Sr6 Mg2\n1.0\n3.985467 -6.903031 0.000000\n3.985467 6.903031 0.000000\n0.000000 0.000000 6.470832\nSr Mg\n6 2\ndirect\n0.171024 0.828976 0.750000 Sr\n0.657951 0.828976 0.750000 Sr\n0.171024 0.342049 0.750000 Sr\n0.828976 0.171024 0.250000 Sr\n0.828976 0.657951 0.250000 Sr\n0.342049 0.171024 0.250000 Sr\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666667 0.250000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.6785603649063487,
"density_atomic": 0.022468848999282517,
"volume": 356.0485007601172,
"volume_molar": 26.80217736205491,
"formula_full": "Sr6 Mg2",
"formula_reduced": "Sr3Mg",
"formula_anonymous": "AB3",
"energy": -13.05839541,
"energy_per_atom": -1.63229942625,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -13.05839541,
"band_gap": 0.0,
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"total_magnetization": 0.5969281,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.301000Z",
"spacegroup": 194
},
{
"id": "mp-1185586",
"created_at": "2022-09-04T14:41:11.923449Z",
"structure_string": "Mg149 Be1\n1.0\n13.760530 -7.944650 0.000000\n-0.000000 15.889298 -0.000000\n0.000000 0.000000 15.571817\nMg Be\n149 1\ndirect\n0.194796 0.001186 -0.000000 Mg\n0.806390 0.001186 -0.000000 Mg\n0.998813 0.193610 -0.000000 Mg\n0.194796 0.193610 -0.000000 Mg\n0.800771 0.199229 -0.000000 Mg\n0.398457 0.199229 -0.000000 Mg\n0.599829 0.199658 -0.000000 Mg\n0.198881 0.397762 -0.000000 Mg\n0.398945 0.398973 -0.000000 Mg\n0.000028 0.398973 -0.000000 Mg\n0.800341 0.400171 -0.000000 Mg\n0.599829 0.400171 -0.000000 Mg\n0.400141 0.599859 -0.000000 Mg\n0.199719 0.599859 -0.000000 Mg\n0.000028 0.601055 -0.000000 Mg\n0.601027 0.601055 -0.000000 Mg\n0.800771 0.601544 -0.000000 Mg\n0.400141 0.800281 -0.000000 Mg\n0.198881 0.801120 -0.000000 Mg\n0.602238 0.801120 -0.000000 Mg\n0.998813 0.805203 -0.000000 Mg\n0.806390 0.805203 -0.000000 Mg\n0.601027 0.999972 -0.000000 Mg\n0.398945 0.999972 -0.000000 Mg\n0.064713 0.129424 0.161685 Mg\n0.064713 0.935287 0.161685 Mg\n0.870575 0.935287 0.161685 Mg\n0.265556 0.331634 0.165818 Mg\n0.066078 0.331634 0.165818 Mg\n0.066078 0.734444 0.165818 Mg\n0.668366 0.734444 0.165818 Mg\n0.265556 0.933922 0.165818 Mg\n0.668366 0.933922 0.165818 Mg\n0.266356 0.532712 0.166296 Mg\n0.266356 0.733644 0.166296 Mg\n0.467287 0.733644 0.166296 Mg\n0.466710 0.533290 0.166249 Mg\n0.066580 0.533291 0.166249 Mg\n0.466710 0.933420 0.166249 Mg\n0.466788 0.133370 0.166498 Mg\n0.666581 0.133370 0.166498 Mg\n0.466788 0.333419 0.166498 Mg\n0.866630 0.333419 0.166498 Mg\n0.666581 0.533211 0.166498 Mg\n0.866630 0.533212 0.166498 Mg\n0.666667 0.333333 0.166570 Mg\n0.267470 0.133734 0.167113 Mg\n0.866265 0.133735 0.167113 Mg\n0.866265 0.732530 0.167113 Mg\n0.000000 0.000000 0.331797 Mg\n0.199098 0.999718 0.332545 Mg\n0.800621 0.999719 0.332545 Mg\n0.000281 0.199379 0.332545 Mg\n0.199098 0.199379 0.332545 Mg\n0.800621 0.800902 0.332545 Mg\n0.000281 0.800902 0.332545 Mg\n0.600324 0.999902 0.332955 Mg\n0.399578 0.999902 0.332955 Mg\n0.399578 0.399676 0.332955 Mg\n0.000098 0.399677 0.332955 Mg\n0.600324 0.600421 0.332955 Mg\n0.000098 0.600422 0.332955 Mg\n0.199868 0.399735 0.332957 Mg\n0.199868 0.800133 0.332957 Mg\n0.600265 0.800133 0.332957 Mg\n0.400007 0.599993 0.333101 Mg\n0.199986 0.599993 0.333101 Mg\n0.400007 0.800015 0.333101 Mg\n0.599955 0.199911 0.333147 Mg\n0.800089 0.400045 0.333147 Mg\n0.599955 0.400045 0.333147 Mg\n0.800130 0.199870 0.333381 Mg\n0.399741 0.199870 0.333381 Mg\n0.800130 0.600259 0.333381 Mg\n0.066472 0.132944 0.500000 Mg\n0.866837 0.133162 0.500000 Mg\n0.266325 0.133163 0.500000 Mg\n0.466612 0.133215 0.500000 Mg\n0.666604 0.133216 0.500000 Mg\n0.266491 0.332858 0.500000 Mg\n0.066367 0.332858 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866784 0.333396 0.500000 Mg\n0.466612 0.333397 0.500000 Mg\n0.266518 0.533036 0.500000 Mg\n0.466778 0.533222 0.500000 Mg\n0.066445 0.533223 0.500000 Mg\n0.866784 0.533388 0.500000 Mg\n0.666604 0.533388 0.500000 Mg\n0.266518 0.733482 0.500000 Mg\n0.466964 0.733483 0.500000 Mg\n0.066367 0.733508 0.500000 Mg\n0.667141 0.733508 0.500000 Mg\n0.866837 0.733675 0.500000 Mg\n0.066472 0.933528 0.500000 Mg\n0.867056 0.933529 0.500000 Mg\n0.466778 0.933555 0.500000 Mg\n0.667141 0.933633 0.500000 Mg\n0.266491 0.933633 0.500000 Mg\n0.800130 0.199870 0.666619 Mg\n0.399741 0.199870 0.666619 Mg\n0.800130 0.600259 0.666619 Mg\n0.599955 0.199911 0.666853 Mg\n0.800089 0.400045 0.666853 Mg\n0.599955 0.400045 0.666853 Mg\n0.400007 0.599993 0.666900 Mg\n0.199986 0.599993 0.666900 Mg\n0.400007 0.800015 0.666900 Mg\n0.199868 0.399735 0.667043 Mg\n0.199868 0.800133 0.667043 Mg\n0.600265 0.800133 0.667043 Mg\n0.600324 0.999902 0.667044 Mg\n0.399578 0.999902 0.667044 Mg\n0.399578 0.399676 0.667044 Mg\n0.000098 0.399677 0.667044 Mg\n0.600324 0.600421 0.667044 Mg\n0.000098 0.600422 0.667044 Mg\n0.199098 0.999718 0.667455 Mg\n0.800621 0.999719 0.667455 Mg\n0.000281 0.199379 0.667455 Mg\n0.199098 0.199379 0.667455 Mg\n0.800621 0.800902 0.667455 Mg\n0.000281 0.800902 0.667455 Mg\n0.000000 0.000000 0.668203 Mg\n0.267470 0.133734 0.832887 Mg\n0.866265 0.133735 0.832887 Mg\n0.866265 0.732530 0.832887 Mg\n0.666667 0.333333 0.833430 Mg\n0.466788 0.133370 0.833502 Mg\n0.666581 0.133370 0.833502 Mg\n0.466788 0.333419 0.833502 Mg\n0.866630 0.333419 0.833502 Mg\n0.666581 0.533211 0.833502 Mg\n0.866630 0.533212 0.833502 Mg\n0.466710 0.533290 0.833750 Mg\n0.066580 0.533291 0.833750 Mg\n0.466710 0.933420 0.833750 Mg\n0.266356 0.532712 0.833704 Mg\n0.266356 0.733644 0.833704 Mg\n0.467287 0.733644 0.833704 Mg\n0.265556 0.331634 0.834183 Mg\n0.066078 0.331634 0.834183 Mg\n0.066078 0.734444 0.834183 Mg\n0.668366 0.734444 0.834183 Mg\n0.265556 0.933922 0.834183 Mg\n0.668366 0.933922 0.834183 Mg\n0.064713 0.129424 0.838315 Mg\n0.064713 0.935287 0.838315 Mg\n0.870575 0.935287 0.838315 Mg\n0.000000 0.000000 -0.000000 Be\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Be"
],
"chemical_system": "Be-Mg",
"density": 1.7706440057820059,
"density_atomic": 0.04405671341569243,
"volume": 3404.7024476086303,
"volume_molar": 13.669064923610465,
"formula_full": "Mg149 Be1",
"formula_reduced": "Mg149Be",
"formula_anonymous": "AB149",
"energy": -244.94264935,
"energy_per_atom": -1.6329509956666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -244.94264935,
"band_gap": 0.5244,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0062097,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.952000Z",
"spacegroup": 187
},
{
"id": "mp-1227047",
"created_at": "2022-09-04T14:42:58.523440Z",
"structure_string": "Ca1 Yb3\n1.0\n-2.756690 2.756690 5.349658\n2.756690 -2.756690 5.349658\n2.756690 2.756690 -5.349658\nCa Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.250000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.250000 0.750000 0.500000 Yb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Yb"
],
"chemical_system": "Ca-Yb",
"density": 5.710219926045654,
"density_atomic": 0.024597904983270608,
"volume": 162.61547488375365,
"volume_molar": 24.482331987605225,
"formula_full": "Ca1 Yb3",
"formula_reduced": "CaYb3",
"formula_anonymous": "AB3",
"energy": -6.53247394,
"energy_per_atom": -1.633118485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.53247394,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016882,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.629000Z",
"spacegroup": 139
},
{
"id": "mp-1026765",
"created_at": "2022-09-04T14:43:57.348345Z",
"structure_string": "Rb1 La1 Mg14\n1.0\n6.724665 0.034642 0.000000\n-3.332332 5.771767 0.000000\n0.000000 0.000000 10.728659\nRb La Mg\n1 1 14\ndirect\n0.168851 0.834425 0.125000 Rb\n0.173339 0.336669 0.125000 La\n0.162319 0.331159 0.625000 Mg\n0.164517 0.832258 0.625000 Mg\n0.665242 0.329568 0.125000 Mg\n0.668321 0.333617 0.625000 Mg\n0.665242 0.835673 0.125000 Mg\n0.668321 0.834704 0.625000 Mg\n0.340798 0.176562 0.393874 Mg\n0.340798 0.176562 0.856126 Mg\n0.340798 0.664237 0.393874 Mg\n0.340798 0.664237 0.856126 Mg\n0.829643 0.164822 0.379463 Mg\n0.829643 0.164822 0.870537 Mg\n0.820685 0.660343 0.384828 Mg\n0.820685 0.660343 0.865172 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"La",
"Mg"
],
"chemical_system": "La-Mg-Rb",
"density": 2.2449599646817537,
"density_atomic": 0.03830939817998769,
"volume": 417.6520843482783,
"volume_molar": 15.719747754079531,
"formula_full": "Rb1 La1 Mg14",
"formula_reduced": "RbLaMg14",
"formula_anonymous": "ABC14",
"energy": -26.13051878,
"energy_per_atom": -1.63315742375,
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"total_magnetization": 4.11e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.004000Z",
"spacegroup": 38
},
{
"id": "mp-864781",
"created_at": "2022-09-04T14:42:20.453282Z",
"structure_string": "Li1 Yb2 Hg1\n1.0\n0.000000 3.790490 3.790490\n3.790490 0.000000 3.790490\n3.790490 3.790490 0.000000\nLi Yb Hg\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Yb\n0.250000 0.250000 0.250000 Yb\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Yb",
"Hg"
],
"chemical_system": "Hg-Li-Yb",
"density": 8.439908666521125,
"density_atomic": 0.03672348852092795,
"volume": 108.92211391410932,
"volume_molar": 16.398607546688023,
"formula_full": "Li1 Yb2 Hg1",
"formula_reduced": "LiYb2Hg",
"formula_anonymous": "ABC2",
"energy": -6.53523721,
"energy_per_atom": -1.6338093025,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:44.472000Z",
"spacegroup": 225
},
{
"id": "mp-1185635",
"created_at": "2022-09-04T14:39:32.362716Z",
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{
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{
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]
}