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{
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"results": [
{
"id": "mp-1225294",
"created_at": "2022-09-04T14:47:30.774372Z",
"structure_string": "Eu1 Mn1 In1\n1.0\n2.483633 -4.301779 0.000000\n2.483633 4.301779 0.000000\n0.000000 0.000000 3.703535\nEu Mn In\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Eu\n0.000000 0.000000 0.500000 Mn\n0.666667 0.333333 0.500000 In\n",
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"volume": 79.13743425979337,
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"formula_full": "Eu1 Mn1 In1",
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},
{
"id": "mp-1039711",
"created_at": "2022-09-04T14:44:25.110926Z",
"structure_string": "Ce6 Mg6\n1.0\n5.330824 0.000000 0.000000\n0.000000 9.773167 0.000000\n0.000000 0.000000 6.075830\nCe Mg\n6 6\ndirect\n-0.000000 0.361665 0.667229 Ce\n-0.000000 0.138335 0.167229 Ce\n0.500000 -0.000000 0.339227 Ce\n-0.000000 0.861665 0.167229 Ce\n-0.000000 0.638335 0.667229 Ce\n0.500000 0.500000 0.839227 Ce\n-0.000000 -0.000000 0.669859 Mg\n0.500000 0.160364 0.828228 Mg\n0.500000 0.339636 0.328228 Mg\n-0.000000 0.500000 0.169859 Mg\n0.500000 0.660364 0.328228 Mg\n0.500000 0.839636 0.828228 Mg\n",
"nsites": 12,
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"formula_full": "Ce6 Mg6",
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"energy": -43.96248762,
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"updated_at": "2021-11-28T01:36:35.175000Z",
"spacegroup": 38
},
{
"id": "mp-1184624",
"created_at": "2022-09-04T14:41:12.725795Z",
"structure_string": "Ho2 Mg1 Cd1\n1.0\n0.000000 3.750536 3.750536\n3.750536 0.000000 3.750536\n3.750536 3.750536 0.000000\nHo Mg Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750000 0.750000 0.750000 Ho\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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"Cd"
],
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"density": 7.342806399016124,
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"volume": 105.51398146446797,
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"formula_full": "Ho2 Mg1 Cd1",
"formula_reduced": "Ho2MgCd",
"formula_anonymous": "ABC2",
"energy": -12.43737071,
"energy_per_atom": -3.1093426775,
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"updated_at": "2021-11-28T01:35:15.654000Z",
"spacegroup": 225
},
{
"id": "mp-1065846",
"created_at": "2022-09-04T14:40:21.135612Z",
"structure_string": "Zr2 Br2\n1.0\n1.774475 3.049985 0.000000\n-1.774475 3.049985 0.000000\n0.000000 2.694846 9.747833\nZr Br\n2 2\ndirect\n0.279555 0.279555 0.620513 Zr\n0.720445 0.720445 0.379487 Zr\n0.858452 0.858452 0.816416 Br\n0.141548 0.141548 0.183584 Br\n",
"nsites": 4,
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"elements": [
"Zr",
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],
"chemical_system": "Br-Zr",
"density": 5.386349173186648,
"density_atomic": 0.03791004735011135,
"volume": 105.51292545373862,
"volume_molar": 15.885342227045022,
"formula_full": "Zr2 Br2",
"formula_reduced": "ZrBr",
"formula_anonymous": "AB",
"energy": -25.453058950000003,
"energy_per_atom": -6.363264737500001,
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"energy_uncorrected": -24.38505895,
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"updated_at": "2021-11-28T01:34:54.077000Z",
"spacegroup": 12
},
{
"id": "mp-1219963",
"created_at": "2022-09-04T14:39:10.034848Z",
"structure_string": "Rh2 Au2 N10 Cl12 O1\n1.0\n0.000000 -8.478587 0.000000\n-7.061463 -4.239293 1.726900\n-1.837914 0.000000 -11.445742\nRh Au N Cl O\n2 2 10 12 1\ndirect\n0.736733 0.518717 0.793728 Rh\n0.255450 0.481283 0.206272 Rh\n0.015166 0.000000 0.000000 Au\n0.498934 0.000000 0.500000 Au\n0.565516 0.615786 0.696506 N\n0.874848 0.635630 0.763515 N\n0.510479 0.364370 0.236485 N\n0.181303 0.384214 0.303494 N\n0.636501 0.603291 0.951052 N\n0.239792 0.396709 0.048948 N\n0.631355 0.325230 0.807472 N\n0.969824 0.284988 0.780849 N\n0.254812 0.715012 0.219151 N\n0.956585 0.674770 0.192528 N\n0.651699 0.680858 0.494784 Cl\n0.332557 0.319142 0.505216 Cl\n0.772118 0.549426 0.059047 Cl\n0.321544 0.450574 0.940953 Cl\n0.285944 0.000000 0.000000 Cl\n0.746245 0.000000 0.000000 Cl\n0.507232 0.987310 0.299647 Cl\n0.494542 0.012690 0.700353 Cl\n0.892524 0.192856 0.478925 Cl\n0.085380 0.807144 0.521075 Cl\n0.081903 0.918834 0.236146 Cl\n0.000737 0.081166 0.763854 Cl\n0.878277 0.000000 0.500000 O\n",
"nsites": 27,
"nelements": 5,
"elements": [
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"Au",
"N",
"Cl",
"O"
],
"chemical_system": "Au-Cl-N-O-Rh",
"density": 2.75422493008912,
"density_atomic": 0.03791172304156226,
"volume": 712.1807671574346,
"volume_molar": 15.884640097729097,
"formula_full": "Rh2 Au2 N10 Cl12 O1",
"formula_reduced": "Rh2Au2N10Cl12O",
"formula_anonymous": "AB2C2D10E12",
"energy": -107.53966286,
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"band_gap": 0.0588,
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"total_magnetization": 9.998197,
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"updated_at": "2021-11-28T01:34:27.785000Z",
"spacegroup": 5
},
{
"id": "mp-1189442",
"created_at": "2022-09-04T14:47:24.887523Z",
"structure_string": "Tm12 Pt4\n1.0\n6.444818 0.000000 0.000000\n0.000000 6.946620 0.000000\n0.000000 0.000000 9.426448\nTm Pt\n12 4\ndirect\n0.320225 0.681331 0.060872 Tm\n0.179775 0.181331 0.439128 Tm\n0.679775 0.318669 0.560872 Tm\n0.820225 0.818669 0.939128 Tm\n0.679775 0.318669 0.939128 Tm\n0.820225 0.818669 0.560872 Tm\n0.320225 0.681331 0.439128 Tm\n0.179775 0.181331 0.060872 Tm\n0.869000 0.526460 0.250000 Tm\n0.631000 0.026460 0.250000 Tm\n0.131000 0.473540 0.750000 Tm\n0.369000 0.973540 0.750000 Tm\n0.048455 0.889958 0.250000 Pt\n0.451545 0.389958 0.250000 Pt\n0.951545 0.110042 0.750000 Pt\n0.548455 0.610042 0.750000 Pt\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tm",
"Pt"
],
"chemical_system": "Pt-Tm",
"density": 11.046985464118654,
"density_atomic": 0.03791296122086646,
"volume": 422.0192642508218,
"volume_molar": 15.884121329688032,
"formula_full": "Tm12 Pt4",
"formula_reduced": "Tm3Pt",
"formula_anonymous": "AB3",
"energy": -89.84451115,
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"updated_at": "2021-11-28T01:38:09.613000Z",
"spacegroup": 62
},
{
"id": "mp-1187088",
"created_at": "2022-09-04T14:42:55.857188Z",
"structure_string": "Sn2 Hg6\n1.0\n3.417566 -5.919398 0.000000\n3.417566 5.919398 0.000000\n0.000000 0.000000 5.215254\nSn Hg\n2 6\ndirect\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n0.165547 0.331095 0.250000 Hg\n0.668905 0.834453 0.250000 Hg\n0.165547 0.834453 0.250000 Hg\n0.834453 0.668905 0.750000 Hg\n0.331095 0.165547 0.750000 Hg\n0.834453 0.165547 0.750000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sn",
"Hg"
],
"chemical_system": "Hg-Sn",
"density": 11.33968812672944,
"density_atomic": 0.03791316794207456,
"volume": 211.0084815972846,
"volume_molar": 15.88403472165897,
"formula_full": "Sn2 Hg6",
"formula_reduced": "SnHg3",
"formula_anonymous": "AB3",
"energy": -9.07271194,
"energy_per_atom": -1.1340889925,
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"updated_at": "2021-11-28T01:35:56.977000Z",
"spacegroup": 194
},
{
"id": "mp-1187084",
"created_at": "2022-09-04T14:47:02.943674Z",
"structure_string": "Sm1 Pu3\n1.0\n-2.347716 2.347716 4.785399\n2.347716 -2.347716 4.785399\n2.347716 2.347716 -4.785399\nSm Pu\n1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750000 0.250000 0.500000 Pu\n0.250000 0.750000 0.500000 Pu\n0.500000 0.500000 0.000000 Pu\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Pu-Sm",
"density": 13.88755027528564,
"density_atomic": 0.03791322480540758,
"volume": 105.50408256038084,
"volume_molar": 15.884010898331864,
"formula_full": "Sm1 Pu3",
"formula_reduced": "SmPu3",
"formula_anonymous": "AB3",
"energy": -46.51849867,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:56.092000Z",
"spacegroup": 139
},
{
"id": "mp-1212902",
"created_at": "2022-09-04T14:47:58.002725Z",
"structure_string": "Dy16 Mg4 Ni4\n1.0\n0.000000 6.814957 6.814957\n6.814957 0.000000 6.814957\n6.814957 6.814957 0.000000\nDy Mg Ni\n16 4 4\ndirect\n0.345868 0.345868 0.345868 Dy\n0.345868 0.345868 0.962395 Dy\n0.345868 0.962395 0.345868 Dy\n0.962395 0.345868 0.345868 Dy\n0.812918 0.187082 0.187082 Dy\n0.187082 0.812918 0.812918 Dy\n0.187082 0.812918 0.187082 Dy\n0.812918 0.187082 0.812918 Dy\n0.187082 0.187082 0.812918 Dy\n0.812918 0.812918 0.187082 Dy\n0.934786 0.565214 0.565214 Dy\n0.565214 0.934786 0.934786 Dy\n0.565214 0.934786 0.565214 Dy\n0.934786 0.565214 0.934786 Dy\n0.565214 0.565214 0.934786 Dy\n0.934786 0.934786 0.565214 Dy\n0.580059 0.580059 0.580059 Mg\n0.580059 0.580059 0.259824 Mg\n0.580059 0.259824 0.580059 Mg\n0.259824 0.580059 0.580059 Mg\n0.141596 0.141596 0.141596 Ni\n0.141596 0.141596 0.575213 Ni\n0.141596 0.575213 0.141596 Ni\n0.575213 0.141596 0.141596 Ni\n",
"nsites": 24,
"nelements": 3,
"elements": [
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],
"chemical_system": "Dy-Mg-Ni",
"density": 7.691176184173136,
"density_atomic": 0.03791332609216331,
"volume": 633.0228042155553,
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"formula_full": "Dy16 Mg4 Ni4",
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"energy": -108.03435627,
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"spacegroup": 216
},
{
"id": "mp-1104379",
"created_at": "2022-09-04T14:42:56.038653Z",
"structure_string": "Rb2 Mn2 Cl6 O4\n1.0\n6.833440 0.000000 0.000000\n-2.433036 6.512260 0.000000\n-3.136659 -2.120657 8.297830\nRb Mn Cl O\n2 2 6 4\ndirect\n0.728666 0.072675 0.808396 Rb\n0.271334 0.927325 0.191604 Rb\n0.993646 0.664121 0.674078 Mn\n0.006354 0.335879 0.325922 Mn\n0.784068 0.592959 0.826930 Cl\n0.215932 0.407041 0.173070 Cl\n0.213831 0.015306 0.810495 Cl\n0.786169 0.984694 0.189505 Cl\n0.785089 0.298655 0.502840 Cl\n0.214911 0.701345 0.497160 Cl\n0.188763 0.591787 0.804910 O\n0.811237 0.408213 0.195090 O\n0.200095 0.259042 0.455951 O\n0.799905 0.740958 0.544049 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Mn",
"Cl",
"O"
],
"chemical_system": "Cl-Mn-O-Rb",
"density": 2.5071457262686256,
"density_atomic": 0.03791336970159018,
"volume": 369.26287771811553,
"volume_molar": 15.883950193293993,
"formula_full": "Rb2 Mn2 Cl6 O4",
"formula_reduced": "RbMnCl3O2",
"formula_anonymous": "ABC2D3",
"energy": -67.62230555,
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"updated_at": "2021-11-28T01:35:59.071000Z",
"spacegroup": 2
},
{
"id": "mp-23321",
"created_at": "2022-09-04T14:39:11.578704Z",
"structure_string": "Sr8 Cl12 O2\n1.0\n4.788088 -8.293212 0.000000\n4.788088 8.293212 0.000000\n0.000000 0.000000 7.306594\nSr Cl O\n8 12 2\ndirect\n0.197038 0.394076 0.895709 Sr\n0.802962 0.605924 0.395709 Sr\n0.394076 0.197038 0.395709 Sr\n0.197038 0.802962 0.895709 Sr\n0.605924 0.802962 0.895709 Sr\n0.802962 0.197038 0.395709 Sr\n0.333333 0.666667 0.326327 Sr\n0.666667 0.333333 0.826327 Sr\n0.858617 0.717234 0.784130 Cl\n0.141383 0.282766 0.284130 Cl\n0.717234 0.858617 0.284130 Cl\n0.858617 0.141383 0.784130 Cl\n0.534804 0.465196 0.108107 Cl\n0.069608 0.534804 0.608107 Cl\n0.465196 0.930392 0.608107 Cl\n0.534804 0.069608 0.108107 Cl\n0.930392 0.465196 0.108107 Cl\n0.465196 0.534804 0.608107 Cl\n0.141383 0.858617 0.284130 Cl\n0.282766 0.141383 0.784130 Cl\n0.666667 0.333333 0.501282 O\n0.333333 0.666667 0.001282 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
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],
"chemical_system": "Cl-O-Sr",
"density": 3.3149412363620505,
"density_atomic": 0.037913407445785224,
"volume": 580.2696587337656,
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"formula_full": "Sr8 Cl12 O2",
"formula_reduced": "Sr4Cl6O",
"formula_anonymous": "AB4C6",
"energy": -110.89416738,
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"updated_at": "2021-11-28T01:34:32.941000Z",
"spacegroup": 186
},
{
"id": "mp-1184756",
"created_at": "2022-09-04T14:45:38.915129Z",
"structure_string": "Ir2 I2\n1.0\n2.010132 -3.481650 0.000000\n2.010132 3.481650 0.000000\n0.000000 0.000000 7.537179\nIr I\n2 2\ndirect\n0.666667 0.333333 0.860117 Ir\n0.333333 0.666667 0.360117 Ir\n0.666667 0.333333 0.514884 I\n0.333333 0.666667 0.014884 I\n",
"nsites": 4,
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"elements": [
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],
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"density": 10.04584802783706,
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"volume": 105.49904128699306,
"volume_molar": 15.883251916883095,
"formula_full": "Ir2 I2",
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"updated_at": "2021-11-28T01:37:16.874000Z",
"spacegroup": 186
}
]
}