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"results": [
{
"id": "mp-1225592",
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"structure_string": "Dy1 Ga3 Cu1\n1.0\n-2.039038 2.039038 5.387979\n2.039038 -2.039038 5.387979\n2.039038 2.039038 -5.387979\nDy Ga Cu\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.613284 0.613284 0.000000 Ga\n0.386716 0.386716 0.000000 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Cu\n",
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{
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},
{
"id": "mp-1221787",
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"structure_string": "Mn8 Nb3 Si1\n1.0\n2.381857 -4.125497 0.000000\n2.381857 4.125497 0.000000\n0.000000 0.000000 7.818691\nMn Nb Si\n8 3 1\ndirect\n0.333333 0.666667 0.502536 Mn\n0.333333 0.666667 0.009595 Mn\n0.504330 0.008660 0.746736 Mn\n0.504330 0.495670 0.746736 Mn\n0.991340 0.495670 0.746736 Mn\n0.159747 0.319495 0.252579 Mn\n0.159747 0.840253 0.252579 Mn\n0.680505 0.840253 0.252579 Mn\n0.666667 0.333333 0.443309 Nb\n0.666667 0.333333 0.065884 Nb\n0.000000 0.000000 0.918794 Nb\n0.000000 0.000000 0.561850 Si\n",
"nsites": 12,
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"elements": [
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"Nb",
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],
"chemical_system": "Mn-Nb-Si",
"density": 8.065137411223255,
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"volume": 153.6582933516586,
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"formula_full": "Mn8 Nb3 Si1",
"formula_reduced": "Mn8Nb3Si",
"formula_anonymous": "AB3C8",
"energy": -110.8398867,
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"spacegroup": 156
},
{
"id": "mp-1009651",
"created_at": "2022-09-04T14:42:55.994153Z",
"structure_string": "Ca1 Hg2\n1.0\n2.702903 -4.681565 0.000000\n2.702903 4.681565 0.000000\n0.000000 0.000000 3.589869\nCa Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.946832 Hg\n0.333333 0.666667 0.053168 Hg\n",
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"elements": [
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"density": 8.065133774496399,
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"volume": 90.8510841775263,
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"formula_full": "Ca1 Hg2",
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"formula_anonymous": "AB2",
"energy": -3.1194455,
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"updated_at": "2021-11-28T01:36:06.551000Z",
"spacegroup": 164
},
{
"id": "mp-1104757",
"created_at": "2022-09-04T14:48:01.447604Z",
"structure_string": "Gd5 Fe2 B6\n1.0\n-2.716250 -4.704683 0.000000\n-5.432500 0.000000 0.000000\n-2.716250 -1.568228 -7.756207\nGd Fe B\n5 2 6\ndirect\n0.000000 0.000000 0.000000 Gd\n0.748936 0.748936 0.753192 Gd\n0.251064 0.251064 0.246808 Gd\n0.583594 0.583594 0.249218 Gd\n0.416406 0.416406 0.750782 Gd\n0.882516 0.882516 0.352453 Fe\n0.117484 0.117484 0.647547 Fe\n0.500000 0.167543 0.500000 B\n0.832457 0.500000 0.500000 B\n0.167543 0.832457 0.500000 B\n0.167543 0.500000 0.500000 B\n0.832457 0.167543 0.500000 B\n0.500000 0.832457 0.500000 B\n",
"nsites": 13,
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"elements": [
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"Fe",
"B"
],
"chemical_system": "B-Fe-Gd",
"density": 8.065074681291325,
"density_atomic": 0.06557885958714714,
"volume": 198.2346152684223,
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"formula_full": "Gd5 Fe2 B6",
"formula_reduced": "Gd5(FeB3)2",
"formula_anonymous": "A2B5C6",
"energy": -133.46423257,
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"updated_at": "2021-11-28T01:38:29.685000Z",
"spacegroup": 166
},
{
"id": "mp-1221195",
"created_at": "2022-09-04T14:47:24.368415Z",
"structure_string": "Nd12 Cd72\n1.0\n-7.881117 7.940907 8.080511\n7.881117 -7.940907 8.080511\n7.881117 7.940907 -8.080511\nNd Cd\n12 72\ndirect\n0.803976 0.506465 0.702488 Nd\n0.196024 0.493535 0.297512 Nd\n0.196024 0.898512 0.702488 Nd\n0.803976 0.101488 0.297512 Nd\n0.109943 0.301402 0.808541 Nd\n0.890057 0.698598 0.191459 Nd\n0.492861 0.301402 0.191459 Nd\n0.507139 0.698598 0.808541 Nd\n0.297773 0.188855 0.486629 Nd\n0.702227 0.811145 0.513371 Nd\n0.297773 0.811145 0.108918 Nd\n0.702227 0.188855 0.891082 Nd\n0.998227 0.677117 0.000026 Cd\n0.322910 0.322883 0.321111 Cd\n0.001773 0.001799 0.678889 Cd\n0.677090 0.998201 0.999974 Cd\n0.001773 0.322883 0.999974 Cd\n0.677090 0.677117 0.678889 Cd\n0.998227 0.998201 0.321111 Cd\n0.322910 0.001799 0.000026 Cd\n0.772766 0.452964 0.914907 Cd\n0.461943 0.547036 0.319802 Cd\n0.227234 0.142141 0.680198 Cd\n0.538057 0.857859 0.085093 Cd\n0.860082 0.089475 0.548178 Cd\n0.139918 0.688096 0.229393 Cd\n0.541297 0.311904 0.451822 Cd\n0.458703 0.910525 0.770607 Cd\n0.315804 0.455803 0.540345 Cd\n0.915458 0.775459 0.459655 Cd\n0.084542 0.544197 0.860001 Cd\n0.684196 0.224541 0.139999 Cd\n0.227234 0.547036 0.085093 Cd\n0.538057 0.452964 0.680198 Cd\n0.772766 0.857859 0.319802 Cd\n0.461943 0.142141 0.914907 Cd\n0.139918 0.910525 0.451822 Cd\n0.860082 0.311904 0.770607 Cd\n0.458703 0.688096 0.548178 Cd\n0.541297 0.089475 0.229393 Cd\n0.684196 0.544197 0.459655 Cd\n0.084542 0.224541 0.540345 Cd\n0.915458 0.455803 0.139999 Cd\n0.315804 0.775459 0.860001 Cd\n0.743938 0.648207 0.904269 Cd\n0.256062 0.351793 0.095731 Cd\n0.256062 0.160331 0.904269 Cd\n0.743938 0.839669 0.095731 Cd\n0.855033 0.090176 0.764857 Cd\n0.144967 0.909824 0.235143 Cd\n0.325319 0.090176 0.235143 Cd\n0.674681 0.909824 0.764857 Cd\n0.094716 0.241871 0.336587 Cd\n0.905284 0.758129 0.663413 Cd\n0.094716 0.758129 0.852845 Cd\n0.905284 0.241871 0.147155 Cd\n0.596774 0.243776 0.647003 Cd\n0.403226 0.756224 0.352997 Cd\n0.403226 0.050229 0.647003 Cd\n0.596774 0.949771 0.352997 Cd\n0.947772 0.352350 0.595423 Cd\n0.052228 0.647650 0.404577 Cd\n0.756927 0.352350 0.404577 Cd\n0.243073 0.647650 0.595423 Cd\n0.349467 0.403630 0.753097 Cd\n0.650533 0.596370 0.246903 Cd\n0.349467 0.596370 0.945837 Cd\n0.650533 0.403630 0.054163 Cd\n0.592001 0.592001 0.000000 Cd\n0.407999 0.407999 0.000000 Cd\n0.596136 0.000000 0.596136 Cd\n0.403864 0.000000 0.403864 Cd\n0.000000 0.404651 0.404651 Cd\n0.000000 0.595349 0.595349 Cd\n0.500000 0.302781 0.802781 Cd\n0.500000 0.697219 0.197219 Cd\n0.698449 0.198449 0.500000 Cd\n0.301551 0.801551 0.500000 Cd\n0.192780 0.500000 0.692780 Cd\n0.807220 0.500000 0.307220 Cd\n0.915372 0.821240 0.905867 Cd\n0.084628 0.178760 0.094133 Cd\n0.084628 0.990495 0.905867 Cd\n0.915372 0.009505 0.094133 Cd\n",
"nsites": 84,
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"elements": [
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],
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"density": 8.064968505501138,
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"volume": 2022.8174984846669,
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"formula_full": "Nd12 Cd72",
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"spacegroup": 71
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{
"id": "mp-1518318",
"created_at": "2022-09-04T14:44:00.428932Z",
"structure_string": "Eu2 Hf1 Fe1 O6\n1.0\n-0.000000 -4.026818 -4.026818\n4.026818 -0.000000 -4.026818\n4.026818 -4.026818 0.000000\nEu Hf Fe O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Hf\n0.000000 -0.000000 0.000000 Fe\n0.753522 0.246478 0.246478 O\n0.246478 0.753522 0.753522 O\n0.753522 0.246478 0.753522 O\n0.246478 0.753522 0.246478 O\n0.753522 0.753522 0.246478 O\n0.246478 0.246478 0.753522 O\n",
"nsites": 10,
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"formula_full": "Eu2 Hf1 Fe1 O6",
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{
"id": "mp-1200738",
"created_at": "2022-09-04T14:47:56.533162Z",
"structure_string": "Pr10 Sn20 Rh8\n1.0\n14.273749 0.000000 0.000000\n0.000000 14.273749 0.000000\n0.000000 0.000000 4.655361\nPr Sn Rh\n10 20 8\ndirect\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.000000 Pr\n0.677948 0.177948 0.500000 Pr\n0.322052 0.822052 0.500000 Pr\n0.177948 0.322052 0.500000 Pr\n0.822052 0.677948 0.500000 Pr\n0.887981 0.387981 0.500000 Pr\n0.112019 0.612019 0.500000 Pr\n0.387981 0.112019 0.500000 Pr\n0.612019 0.887981 0.500000 Pr\n0.569351 0.069351 0.000000 Sn\n0.430649 0.930649 0.000000 Sn\n0.069351 0.430649 0.000000 Sn\n0.930649 0.569351 0.000000 Sn\n0.654098 0.697587 0.000000 Sn\n0.345902 0.302413 0.000000 Sn\n0.154098 0.802413 0.000000 Sn\n0.845902 0.197587 0.000000 Sn\n0.302413 0.654098 0.000000 Sn\n0.697587 0.345902 0.000000 Sn\n0.197587 0.154098 0.000000 Sn\n0.802413 0.845902 0.000000 Sn\n0.663761 0.504927 0.500000 Sn\n0.336239 0.495073 0.500000 Sn\n0.163761 0.995073 0.500000 Sn\n0.836239 0.004927 0.500000 Sn\n0.495073 0.663761 0.500000 Sn\n0.504927 0.336239 0.500000 Sn\n0.004927 0.163761 0.500000 Sn\n0.995073 0.836239 0.500000 Sn\n0.746248 0.527638 0.000000 Rh\n0.253752 0.472362 0.000000 Rh\n0.246248 0.972362 0.000000 Rh\n0.753752 0.027638 0.000000 Rh\n0.472362 0.746248 0.000000 Rh\n0.527638 0.253752 0.000000 Rh\n0.027638 0.246248 0.000000 Rh\n0.972362 0.753752 0.000000 Rh\n",
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"formula_full": "Pr10 Sn20 Rh8",
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{
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"structure_string": "Sm2 In8 Co1\n1.0\n4.652709 0.000000 0.000000\n0.000000 4.652709 0.000000\n0.000000 0.000000 12.157873\nSm In Co\n2 8 1\ndirect\n0.000000 0.000000 0.694094 Sm\n0.000000 0.000000 0.305906 Sm\n0.500000 0.000000 0.882352 In\n0.000000 0.500000 0.882352 In\n0.500000 0.000000 0.117648 In\n0.000000 0.500000 0.117648 In\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.698461 In\n0.500000 0.500000 0.301539 In\n0.000000 0.000000 0.000000 Co\n",
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"volume": 263.1899999702517,
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{
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"created_at": "2022-09-04T14:44:24.667504Z",
"structure_string": "Pm1 Zn1 Cu2\n1.0\n0.000000 3.263183 3.263183\n3.263183 0.000000 3.263183\n3.263183 3.263183 0.000000\nPm Zn Cu\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Pm\n0.750001 0.750001 0.750001 Zn\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n",
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{
"id": "mp-1192952",
"created_at": "2022-09-04T14:44:25.292363Z",
"structure_string": "La2 Be2 Cu24\n1.0\n0.000000 5.723331 5.723331\n5.723331 0.000000 5.723331\n5.723331 5.723331 0.000000\nLa Be Cu\n2 2 24\ndirect\n0.250000 0.250000 0.250000 La\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.791694 0.561212 0.208306 Cu\n0.208306 0.438788 0.791694 Cu\n0.561212 0.791694 0.438788 Cu\n0.438788 0.208306 0.561212 Cu\n0.291694 0.938788 0.708306 Cu\n0.708306 0.061212 0.291694 Cu\n0.938788 0.291694 0.061212 Cu\n0.061212 0.708306 0.938788 Cu\n0.208306 0.791694 0.561212 Cu\n0.791694 0.208306 0.438788 Cu\n0.438788 0.561212 0.791694 Cu\n0.561212 0.438788 0.208306 Cu\n0.708306 0.291694 0.938788 Cu\n0.291694 0.708306 0.061212 Cu\n0.061212 0.938788 0.291694 Cu\n0.938788 0.061212 0.708306 Cu\n0.561212 0.208306 0.791694 Cu\n0.438788 0.791694 0.208306 Cu\n0.791694 0.438788 0.561212 Cu\n0.208306 0.561212 0.438788 Cu\n0.938788 0.708306 0.291694 Cu\n0.061212 0.291694 0.708306 Cu\n0.291694 0.061212 0.938788 Cu\n0.708306 0.938788 0.061212 Cu\n",
"nsites": 28,
"nelements": 3,
"elements": [
"La",
"Be",
"Cu"
],
"chemical_system": "Be-Cu-La",
"density": 8.064324252331732,
"density_atomic": 0.07467606851990803,
"volume": 374.9527868159721,
"volume_molar": 8.064351644857343,
"formula_full": "La2 Be2 Cu24",
"formula_reduced": "LaBeCu12",
"formula_anonymous": "ABC12",
"energy": -118.71517221,
"energy_per_atom": -4.239827578928572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.71517221,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4773663,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.048000Z",
"spacegroup": 226
},
{
"id": "mp-28706",
"created_at": "2022-09-04T14:42:19.539187Z",
"structure_string": "Sr5 B10 Rh14\n1.0\n0.000000 4.981468 14.522743\n2.827659 0.000000 14.522743\n2.827659 4.981468 0.000000\nSr B Rh\n5 10 14\ndirect\n0.711561 0.711561 0.288439 Sr\n0.288439 0.288439 0.711561 Sr\n0.604506 0.604506 0.395494 Sr\n0.395494 0.395494 0.604506 Sr\n0.500000 0.500000 0.500000 Sr\n0.035530 0.367762 0.632238 B\n0.964470 0.632238 0.367762 B\n0.632238 0.964470 0.035530 B\n0.367762 0.035530 0.964470 B\n0.936069 0.266163 0.733837 B\n0.063931 0.733837 0.266163 B\n0.733837 0.063931 0.936069 B\n0.266163 0.936069 0.063931 B\n0.833780 0.166220 0.833780 B\n0.166220 0.833780 0.166220 B\n0.750000 0.750000 0.750000 Rh\n0.250000 0.250000 0.250000 Rh\n0.651503 0.651503 0.848497 Rh\n0.848497 0.848497 0.651503 Rh\n0.348497 0.348497 0.151503 Rh\n0.151503 0.151503 0.348497 Rh\n0.550738 0.550738 0.949262 Rh\n0.949262 0.949262 0.550738 Rh\n0.449262 0.449262 0.050738 Rh\n0.050738 0.050738 0.449262 Rh\n0.847245 0.847245 0.152755 Rh\n0.152755 0.152755 0.847245 Rh\n0.949516 0.949516 0.050484 Rh\n0.050484 0.050484 0.949516 Rh\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Sr",
"B",
"Rh"
],
"chemical_system": "B-Rh-Sr",
"density": 8.064161902528959,
"density_atomic": 0.07088183802360162,
"volume": 409.1316027999137,
"volume_molar": 8.496027935949966,
"formula_full": "Sr5 B10 Rh14",
"formula_reduced": "Sr5(B5Rh7)2",
"formula_anonymous": "A5B10C14",
"energy": -194.11697848,
"energy_per_atom": -6.693688913103449,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -194.11697848,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006852,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:33.053000Z",
"spacegroup": 69
}
]
}