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{
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"results": [
{
"id": "mp-1049221",
"created_at": "2022-09-04T14:47:02.064702Z",
"structure_string": "La2 Zn2 Cr4 O12\n1.0\n5.333301 0.000000 0.000000\n0.000000 5.403826 0.000000\n0.000000 0.000000 7.795895\nLa Zn Cr O\n2 2 4 12\ndirect\n0.005064 0.713120 0.000000 La\n0.505064 0.286880 0.500000 La\n0.492004 0.222122 0.000000 Zn\n0.992004 0.777878 0.500000 Zn\n0.496688 0.754945 0.248600 Cr\n0.996688 0.245055 0.748600 Cr\n0.496688 0.754945 0.751400 Cr\n0.996688 0.245055 0.251400 Cr\n0.076892 0.195529 0.500000 O\n0.223390 0.964926 0.799745 O\n0.223390 0.964926 0.200255 O\n0.317814 0.449291 0.805717 O\n0.317814 0.449291 0.194283 O\n0.375076 0.728329 0.500000 O\n0.576892 0.804471 0.000000 O\n0.723390 0.035074 0.299745 O\n0.723390 0.035074 0.700255 O\n0.817814 0.550709 0.305717 O\n0.817814 0.550709 0.694283 O\n0.875076 0.271671 0.000000 O\n",
"nsites": 20,
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"elements": [
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"chemical_system": "Cr-La-O-Zn",
"density": 5.9761666485568625,
"density_atomic": 0.08901569007443849,
"volume": 224.67949170843025,
"volume_molar": 6.765257624767099,
"formula_full": "La2 Zn2 Cr4 O12",
"formula_reduced": "LaZnCr2O6",
"formula_anonymous": "ABC2D6",
"energy": -159.43147526,
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"band_gap": 0.4091000000000004,
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"updated_at": "2021-11-28T01:37:55.450000Z",
"spacegroup": 31
},
{
"id": "mp-1209009",
"created_at": "2022-09-04T14:43:08.248084Z",
"structure_string": "Sc4 Mn6 Si2\n1.0\n2.459874 -4.260627 0.000000\n2.459874 4.260627 0.000000\n0.000000 0.000000 8.097846\nSc Mn Si\n4 6 2\ndirect\n0.333333 0.666667 0.566222 Sc\n0.666667 0.333333 0.433778 Sc\n0.666667 0.333333 0.066222 Sc\n0.333333 0.666667 0.933778 Sc\n0.174602 0.349204 0.250000 Mn\n0.825398 0.650796 0.750000 Mn\n0.650796 0.825398 0.250000 Mn\n0.349204 0.174602 0.750000 Mn\n0.174602 0.825398 0.250000 Mn\n0.825398 0.174602 0.750000 Mn\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sc",
"Mn",
"Si"
],
"chemical_system": "Mn-Sc-Si",
"density": 5.533376343100271,
"density_atomic": 0.0706960842652126,
"volume": 169.7406599633247,
"volume_molar": 8.518351224953648,
"formula_full": "Sc4 Mn6 Si2",
"formula_reduced": "Sc2Mn3Si",
"formula_anonymous": "AB2C3",
"energy": -95.65903849,
"energy_per_atom": -7.971586540833333,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.367000Z",
"spacegroup": 194
},
{
"id": "mp-519",
"created_at": "2022-09-04T14:45:29.783301Z",
"structure_string": "U1 Sb1\n1.0\n0.000000 3.099685 3.099685\n3.099685 0.000000 3.099685\n3.099685 3.099685 0.000000\nU Sb\n1 1\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 2,
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"elements": [
"U",
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],
"chemical_system": "Sb-U",
"density": 10.030306161610191,
"density_atomic": 0.03357741937737113,
"volume": 59.56383894552249,
"volume_molar": 17.93509111679532,
"formula_full": "U1 Sb1",
"formula_reduced": "USb",
"formula_anonymous": "AB",
"energy": -15.94340451,
"energy_per_atom": -7.971702255,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -15.75140451,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.7021691,
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"updated_at": "2021-11-28T01:36:59.172000Z",
"spacegroup": 225
},
{
"id": "mp-755405",
"created_at": "2022-09-04T14:41:16.786900Z",
"structure_string": "Sr4 Nd8 O16\n1.0\n3.569392 0.000000 0.000000\n0.000000 10.422819 0.000000\n0.000000 0.000000 12.412268\nSr Nd O\n4 8 16\ndirect\n0.750000 0.247420 0.351143 Sr\n0.250000 0.252580 0.851143 Sr\n0.750000 0.747420 0.148857 Sr\n0.250000 0.752580 0.648857 Sr\n0.750000 0.076164 0.612920 Nd\n0.750000 0.080973 0.112424 Nd\n0.250000 0.419027 0.612424 Nd\n0.250000 0.423836 0.112920 Nd\n0.750000 0.576164 0.887080 Nd\n0.750000 0.580973 0.387576 Nd\n0.250000 0.919027 0.887576 Nd\n0.250000 0.923836 0.387080 Nd\n0.250000 0.011012 0.715447 O\n0.750000 0.074762 0.920348 O\n0.250000 0.130714 0.479435 O\n0.250000 0.212916 0.184390 O\n0.750000 0.287084 0.684390 O\n0.750000 0.369286 0.979435 O\n0.250000 0.425238 0.420348 O\n0.750000 0.488988 0.215447 O\n0.250000 0.511012 0.784553 O\n0.750000 0.574762 0.579652 O\n0.250000 0.630714 0.020565 O\n0.250000 0.712916 0.315610 O\n0.750000 0.787084 0.815610 O\n0.750000 0.869286 0.520565 O\n0.250000 0.925238 0.079652 O\n0.750000 0.988988 0.284553 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sr",
"Nd",
"O"
],
"chemical_system": "Nd-O-Sr",
"density": 6.330404336535173,
"density_atomic": 0.06063556732548236,
"volume": 461.7751797340384,
"volume_molar": 9.931696899402425,
"formula_full": "Sr4 Nd8 O16",
"formula_reduced": "SrNd2O4",
"formula_anonymous": "AB2C4",
"energy": -223.20828673,
"energy_per_atom": -7.971724526071428,
"energy_above_hull": null,
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"band_gap": 3.4216,
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"updated_at": "2021-11-28T01:35:14.707000Z",
"spacegroup": 62
},
{
"id": "mp-1209435",
"created_at": "2022-09-04T14:44:08.931445Z",
"structure_string": "Rb2 Mo6 P4 O28\n1.0\n6.514217 0.000000 0.000000\n0.000000 9.134229 0.000000\n0.000000 3.890420 10.173371\nRb Mo P O\n2 6 4 28\ndirect\n0.250000 0.010254 0.748301 Rb\n0.750000 0.989746 0.251699 Rb\n0.250000 0.735908 0.175011 Mo\n0.750000 0.264092 0.824989 Mo\n0.250000 0.346855 0.119360 Mo\n0.750000 0.653145 0.880640 Mo\n0.250000 0.720922 0.495612 Mo\n0.750000 0.279078 0.504388 Mo\n0.250000 0.391444 0.801382 P\n0.750000 0.608556 0.198618 P\n0.250000 0.358912 0.431635 P\n0.750000 0.641088 0.568365 P\n0.250000 0.566791 0.113256 O\n0.750000 0.433209 0.886744 O\n0.250000 0.900288 0.036151 O\n0.750000 0.099712 0.963849 O\n0.938744 0.715402 0.190742 O\n0.061256 0.284598 0.809258 O\n0.438744 0.284598 0.809258 O\n0.561256 0.715402 0.190742 O\n0.250000 0.835150 0.300436 O\n0.750000 0.164850 0.699564 O\n0.250000 0.878095 0.545480 O\n0.750000 0.121905 0.454520 O\n0.465451 0.234273 0.126169 O\n0.534549 0.765727 0.873831 O\n0.965451 0.765727 0.873831 O\n0.034549 0.234273 0.126169 O\n0.938423 0.708279 0.479755 O\n0.061577 0.291721 0.520245 O\n0.438423 0.291721 0.520245 O\n0.561577 0.708279 0.479755 O\n0.250000 0.533981 0.672677 O\n0.750000 0.466019 0.327323 O\n0.250000 0.449922 0.918676 O\n0.750000 0.550078 0.081324 O\n0.250000 0.299406 0.315933 O\n0.750000 0.700594 0.684067 O\n0.250000 0.539972 0.384167 O\n0.750000 0.460028 0.615833 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Rb",
"Mo",
"P",
"O"
],
"chemical_system": "Mo-O-P-Rb",
"density": 3.6167211847498257,
"density_atomic": 0.06607862415450816,
"volume": 605.3394802299472,
"volume_molar": 9.113598893824948,
"formula_full": "Rb2 Mo6 P4 O28",
"formula_reduced": "RbMo3(PO7)2",
"formula_anonymous": "AB2C3D14",
"energy": -318.86948089,
"energy_per_atom": -7.971737022249999,
"energy_above_hull": null,
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"energy_uncorrected": -280.42148089,
"band_gap": 2.1328,
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"total_magnetization": 2.000485,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.137000Z",
"spacegroup": 11
},
{
"id": "mp-849619",
"created_at": "2022-09-04T14:47:03.110092Z",
"structure_string": "Li3 Fe8 B8 O24\n1.0\n-5.258280 0.000000 0.000000\n2.597718 4.589768 0.000000\n-0.036737 -0.188786 -20.163927\nLi Fe B O\n3 8 8 24\ndirect\n0.359664 0.332354 0.667885 Li\n0.332209 0.356998 0.920471 Li\n0.333749 0.359127 0.418090 Li\n0.323201 0.983439 0.810542 Fe\n0.322229 0.982067 0.310223 Fe\n0.991018 0.684806 0.937471 Fe\n0.993485 0.684763 0.436684 Fe\n0.984458 0.324735 0.560210 Fe\n0.999455 0.327866 0.059537 Fe\n0.685440 0.992309 0.686550 Fe\n0.672894 0.000711 0.183962 Fe\n0.660307 0.004094 0.935940 B\n0.664616 0.004764 0.435585 B\n0.989558 0.327042 0.813264 B\n0.990475 0.328304 0.311759 B\n0.004665 0.663019 0.685757 B\n0.999720 0.659243 0.185442 B\n0.327434 0.989582 0.562673 B\n0.335240 0.997459 0.061702 B\n0.725255 0.111068 0.788268 O\n0.727381 0.117447 0.283830 O\n0.912624 0.257915 0.958817 O\n0.421629 0.032577 0.913594 O\n0.918055 0.256368 0.458625 O\n0.427424 0.035988 0.412816 O\n0.020701 0.595376 0.831634 O\n0.280479 0.221465 0.570161 O\n0.018548 0.592914 0.332377 O\n0.300734 0.235647 0.059287 O\n0.220914 0.279233 0.821632 O\n0.214886 0.273444 0.322273 O\n0.740698 0.649000 0.684172 O\n0.767169 0.702362 0.183505 O\n0.648959 0.742465 0.935086 O\n0.036168 0.425107 0.663577 O\n0.649924 0.741460 0.434045 O\n0.989580 0.402115 0.163090 O\n0.596017 0.021415 0.581365 O\n0.598480 0.019102 0.084513 O\n0.111286 0.725046 0.538098 O\n0.116376 0.727491 0.039835 O\n0.256367 0.917930 0.708408 O\n0.268423 0.878585 0.211350 O\n",
"nsites": 43,
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"elements": [
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"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 3.200874026506619,
"density_atomic": 0.08836064900779192,
"volume": 486.64196656373724,
"volume_molar": 6.815410284581487,
"formula_full": "Li3 Fe8 B8 O24",
"formula_reduced": "Li3Fe8(BO3)8",
"formula_anonymous": "A3B8C8D24",
"energy": -342.78474582,
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"updated_at": "2021-11-28T01:37:53.269000Z",
"spacegroup": 1
},
{
"id": "mp-1517370",
"created_at": "2022-09-04T14:40:42.110613Z",
"structure_string": "Ba1 Na1 Tb1 W1 O6\n1.0\n-0.000000 -4.219913 -4.219913\n4.219913 0.000000 -4.219913\n4.219913 -4.219913 -0.000000\nBa Na Tb W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 W\n0.731980 0.268020 0.268020 O\n0.268020 0.731980 0.731980 O\n0.731980 0.268020 0.731980 O\n0.268020 0.731980 0.268020 O\n0.731980 0.731980 0.268020 O\n0.268020 0.268020 0.731980 O\n",
"nsites": 10,
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"elements": [
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"Tb",
"W",
"O"
],
"chemical_system": "Ba-Na-O-Tb-W",
"density": 6.618999637085073,
"density_atomic": 0.06653643259751062,
"volume": 150.29360020684575,
"volume_molar": 9.050892157727901,
"formula_full": "Ba1 Na1 Tb1 W1 O6",
"formula_reduced": "BaNaTbWO6",
"formula_anonymous": "ABCDE6",
"energy": -79.71744724,
"energy_per_atom": -7.971744724,
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"updated_at": "2021-11-28T01:35:09.781000Z",
"spacegroup": 216
},
{
"id": "mp-1365585",
"created_at": "2022-09-04T14:40:15.108442Z",
"structure_string": "Mg8 Mn16 O32\n1.0\n3.028450 5.222718 0.000000\n-3.028450 5.222718 0.000000\n0.000000 3.477808 19.757573\nMg Mn O\n8 16 32\ndirect\n0.851956 0.851956 0.970545 Mg\n0.375538 0.375538 0.874939 Mg\n0.602853 0.602853 0.718654 Mg\n0.125340 0.125340 0.624613 Mg\n0.874861 0.874861 0.375146 Mg\n0.999274 0.999274 0.499810 Mg\n0.625227 0.625227 0.125380 Mg\n0.750404 0.750404 0.250623 Mg\n0.375746 0.873457 0.874975 Mn\n0.248854 0.248854 0.749375 Mn\n0.873457 0.375746 0.874975 Mn\n0.351851 0.351851 0.465627 Mn\n0.127370 0.626365 0.624499 Mn\n0.899477 0.899477 0.780205 Mn\n0.101154 0.101154 0.218466 Mn\n0.626365 0.127370 0.624499 Mn\n0.874841 0.375005 0.375221 Mn\n0.648351 0.648351 0.532370 Mn\n0.375005 0.874841 0.375221 Mn\n0.121569 0.623808 0.125625 Mn\n0.623808 0.121569 0.125625 Mn\n0.397982 0.397982 0.284073 Mn\n0.501876 0.501876 0.999210 Mn\n0.149791 0.149791 0.031098 Mn\n0.678685 0.226858 0.936221 O\n0.567270 0.567270 0.821848 O\n0.226858 0.678685 0.936221 O\n0.681834 0.681834 0.938540 O\n0.070108 0.070108 0.811769 O\n0.431419 0.978795 0.685818 O\n0.518664 0.072729 0.813693 O\n0.316620 0.316620 0.571618 O\n0.978795 0.431419 0.685818 O\n0.182687 0.182687 0.926311 O\n0.429464 0.429464 0.683975 O\n0.072729 0.518664 0.813693 O\n0.185654 0.724889 0.431997 O\n0.819625 0.819625 0.569714 O\n0.276840 0.813929 0.568913 O\n0.067362 0.067362 0.322081 O\n0.724889 0.185654 0.431997 O\n0.933298 0.933298 0.677553 O\n0.176647 0.176647 0.430901 O\n0.813929 0.276840 0.568913 O\n0.572884 0.572884 0.319537 O\n0.935390 0.472085 0.181241 O\n0.025152 0.563702 0.318462 O\n0.816911 0.816911 0.071873 O\n0.472085 0.935390 0.181241 O\n0.682462 0.682462 0.428552 O\n0.930315 0.930315 0.181648 O\n0.563702 0.025152 0.318462 O\n0.324544 0.324544 0.064707 O\n0.766827 0.320978 0.064012 O\n0.432364 0.432364 0.177886 O\n0.320978 0.766827 0.064012 O\n",
"nsites": 56,
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"elements": [
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],
"chemical_system": "Mg-Mn-O",
"density": 4.212262834750176,
"density_atomic": 0.08959988484344046,
"volume": 625.0008032694443,
"volume_molar": 6.721147879288681,
"formula_full": "Mg8 Mn16 O32",
"formula_reduced": "MgMn2O4",
"formula_anonymous": "AB2C4",
"energy": -446.42274331,
"energy_per_atom": -7.971834701964285,
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"updated_at": "2021-11-28T01:34:55.902000Z",
"spacegroup": 8
},
{
"id": "mp-1186430",
"created_at": "2022-09-04T14:44:05.120352Z",
"structure_string": "Pa1 Zn1 Tc2\n1.0\n0.000000 3.245429 3.245429\n3.245429 0.000000 3.245429\n3.245429 3.245429 0.000000\nPa Zn Tc\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Pa\n0.750000 0.750000 0.750000 Zn\n0.500001 0.500001 0.500001 Tc\n0.000000 0.000000 0.000000 Tc\n",
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"elements": [
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"density": 11.960804464178118,
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"volume": 68.36697011778618,
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"formula_full": "Pa1 Zn1 Tc2",
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"energy": -31.88745404,
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"spacegroup": 225
},
{
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},
{
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{
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]
}