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"results": [
{
"id": "mp-761073",
"created_at": "2022-09-04T14:43:05.313744Z",
"structure_string": "Na6 Fe4 P6 O24\n1.0\n7.938507 -4.422529 0.000000\n7.938507 4.422529 0.000000\n5.474723 0.000000 7.253004\nNa Fe P O\n6 4 6 24\ndirect\n0.090418 0.341019 0.750129 Na\n0.249871 0.909582 0.658981 Na\n0.658981 0.249871 0.909582 Na\n0.341019 0.750129 0.090418 Na\n0.750129 0.090418 0.341019 Na\n0.909582 0.658981 0.249871 Na\n0.851467 0.851467 0.851467 Fe\n0.649664 0.649664 0.649664 Fe\n0.350336 0.350336 0.350336 Fe\n0.148533 0.148533 0.148533 Fe\n0.248878 0.535064 0.963070 P\n0.036930 0.751122 0.464936 P\n0.464936 0.036930 0.751122 P\n0.535064 0.963070 0.248878 P\n0.963070 0.248878 0.535064 P\n0.751122 0.464936 0.036930 P\n0.483673 0.850292 0.761002 O\n0.761002 0.483673 0.850292 O\n0.217263 0.372118 0.987698 O\n0.093149 0.721300 0.913946 O\n0.850292 0.761002 0.483673 O\n0.278700 0.086054 0.906851 O\n0.012302 0.782737 0.627882 O\n0.439256 0.542581 0.812955 O\n0.187045 0.560744 0.457419 O\n0.627882 0.012302 0.782737 O\n0.086054 0.906851 0.278700 O\n0.457419 0.187045 0.560744 O\n0.542581 0.812955 0.439256 O\n0.913946 0.093149 0.721300 O\n0.372118 0.987698 0.217263 O\n0.812955 0.439256 0.542581 O\n0.560744 0.457419 0.187045 O\n0.987698 0.217263 0.372118 O\n0.721300 0.913946 0.093149 O\n0.149708 0.238998 0.516327 O\n0.906851 0.278700 0.086054 O\n0.782737 0.627882 0.012302 O\n0.238998 0.516327 0.149708 O\n0.516327 0.149708 0.238998 O\n",
"nsites": 40,
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"elements": [
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"formula_full": "Na6 Fe4 P6 O24",
"formula_reduced": "Na3Fe2(PO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -290.80774462,
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"updated_at": "2021-11-28T01:36:09.027000Z",
"spacegroup": 148
},
{
"id": "mp-984635",
"created_at": "2022-09-04T14:43:05.343128Z",
"structure_string": "Li8 Er8 Sn8\n1.0\n4.671363 -8.091038 0.000000\n4.671363 8.091038 0.000000\n0.000000 0.000000 7.258105\nLi Er Sn\n8 8 8\ndirect\n0.166746 0.333492 0.211746 Li\n0.166746 0.833254 0.211746 Li\n0.666508 0.833254 0.211746 Li\n0.666667 0.333333 0.331284 Li\n0.833254 0.666508 0.711746 Li\n0.333492 0.166746 0.711746 Li\n0.833254 0.166746 0.711746 Li\n0.333333 0.666667 0.831284 Li\n0.000000 0.000000 0.999699 Er\n0.512340 0.024680 0.006040 Er\n0.512340 0.487660 0.006040 Er\n0.975320 0.487660 0.006040 Er\n0.000000 0.000000 0.499699 Er\n0.487660 0.975320 0.506040 Er\n0.024680 0.512340 0.506040 Er\n0.487660 0.512340 0.506040 Er\n0.333333 0.666667 0.238047 Sn\n0.833010 0.666021 0.268868 Sn\n0.333979 0.166990 0.268868 Sn\n0.833010 0.166990 0.268868 Sn\n0.666667 0.333333 0.738047 Sn\n0.166990 0.333979 0.768868 Sn\n0.166990 0.833010 0.768868 Sn\n0.666021 0.833010 0.768868 Sn\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Er",
"Sn"
],
"chemical_system": "Er-Li-Sn",
"density": 7.092056446495757,
"density_atomic": 0.04374315886800278,
"volume": 548.657221405094,
"volume_molar": 13.767045901216505,
"formula_full": "Li8 Er8 Sn8",
"formula_reduced": "LiErSn",
"formula_anonymous": "ABC",
"energy": -99.12920765,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:05.823000Z",
"spacegroup": 186
},
{
"id": "mp-18724",
"created_at": "2022-09-04T14:43:05.432591Z",
"structure_string": "Sr2 Co1 O4\n1.0\n3.765518 -0.000404 -1.088432\n-0.314107 3.753829 -1.089004\n-0.089959 -0.098126 6.762070\nSr Co O\n2 1 4\ndirect\n0.639054 0.638983 0.278454 Sr\n0.360946 0.361016 0.721546 Sr\n0.000000 0.000000 0.000000 Co\n0.843558 0.843614 0.689045 O\n0.156442 0.156386 0.310956 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 7,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-O-Sr",
"density": 5.224029483741963,
"density_atomic": 0.07385662511799405,
"volume": 94.77822725878326,
"volume_molar": 8.153826079080883,
"formula_full": "Sr2 Co1 O4",
"formula_reduced": "Sr2CoO4",
"formula_anonymous": "AB2C4",
"energy": -46.667786850000006,
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"energy_uncorrected": -42.28178685,
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"updated_at": "2021-11-28T01:36:03.027000Z",
"spacegroup": 139
},
{
"id": "mp-1195151",
"created_at": "2022-09-04T14:43:05.448475Z",
"structure_string": "Ce20 Zn10 Se20 O20\n1.0\n-0.000000 -5.627010 0.000000\n14.065239 -2.813505 -8.977849\n14.065239 -2.813505 8.977849\nCe Zn Se O\n20 10 20 20\ndirect\n0.557734 0.019388 0.380844 Ce\n0.042035 0.380844 0.019388 Ce\n0.457965 0.480612 0.119156 Ce\n0.942266 0.119156 0.480612 Ce\n0.442266 0.980612 0.619156 Ce\n0.957965 0.619156 0.980612 Ce\n0.542035 0.519388 0.880844 Ce\n0.057734 0.880844 0.519388 Ce\n0.328314 0.219334 0.581022 Ce\n0.871330 0.581022 0.219334 Ce\n0.628670 0.280666 0.918978 Ce\n0.171686 0.918978 0.280666 Ce\n0.671686 0.780666 0.418978 Ce\n0.128670 0.418978 0.780666 Ce\n0.371330 0.719334 0.081022 Ce\n0.828314 0.081022 0.719334 Ce\n0.726046 0.319502 0.680498 Ce\n0.273954 0.680498 0.319502 Ce\n0.226046 0.180498 0.819502 Ce\n0.773954 0.819502 0.180498 Ce\n0.943943 0.556057 0.556057 Zn\n0.556057 0.943943 0.943943 Zn\n0.056057 0.443943 0.443943 Zn\n0.443943 0.056057 0.056057 Zn\n0.348263 0.651737 0.651737 Zn\n0.151737 0.848263 0.848263 Zn\n0.651737 0.348263 0.348263 Zn\n0.848263 0.151737 0.151737 Zn\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Zn\n0.545754 0.286459 0.113559 Se\n0.054228 0.113559 0.286459 Se\n0.445772 0.213541 0.386441 Se\n0.954246 0.386441 0.213541 Se\n0.454246 0.713541 0.886441 Se\n0.945772 0.886441 0.713541 Se\n0.554228 0.786459 0.613559 Se\n0.045754 0.613559 0.786459 Se\n0.365893 0.486536 0.312241 Se\n0.835329 0.312241 0.486536 Se\n0.664671 0.013464 0.187759 Se\n0.134107 0.187759 0.013464 Se\n0.634107 0.513464 0.687759 Se\n0.164671 0.687759 0.513464 Se\n0.335329 0.986536 0.812241 Se\n0.865893 0.812241 0.986536 Se\n0.780290 0.586136 0.413864 Se\n0.219710 0.413864 0.586136 Se\n0.280290 0.913864 0.086136 Se\n0.719710 0.086136 0.913864 Se\n0.750000 0.502241 0.997759 O\n0.750000 0.997759 0.502241 O\n0.250000 0.497759 0.002241 O\n0.250000 0.002241 0.497759 O\n0.164108 0.601376 0.098576 O\n0.135940 0.098576 0.601376 O\n0.364060 0.898624 0.401424 O\n0.335892 0.401424 0.898624 O\n0.835892 0.398624 0.901424 O\n0.864060 0.901424 0.398624 O\n0.635940 0.101376 0.598576 O\n0.664108 0.598576 0.101376 O\n0.574160 0.699929 0.199916 O\n0.525996 0.199916 0.699929 O\n0.974004 0.800071 0.300084 O\n0.925840 0.300084 0.800071 O\n0.425840 0.300071 0.800084 O\n0.474004 0.800084 0.300071 O\n0.025996 0.199929 0.699916 O\n0.074160 0.699916 0.199929 O\n",
"nsites": 70,
"nelements": 4,
"elements": [
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"Zn",
"Se",
"O"
],
"chemical_system": "Ce-O-Se-Zn",
"density": 6.257919506918982,
"density_atomic": 0.04925733877693504,
"volume": 1421.1080366521505,
"volume_molar": 12.22587518840927,
"formula_full": "Ce20 Zn10 Se20 O20",
"formula_reduced": "Ce2Zn(SeO)2",
"formula_anonymous": "AB2C2D2",
"energy": -483.38479944,
"energy_per_atom": -6.905497134857143,
"energy_above_hull": null,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:56.175000Z",
"spacegroup": 72
},
{
"id": "mp-1519132",
"created_at": "2022-09-04T14:43:05.769413Z",
"structure_string": "Sr1 Ca1 Hf1 Sn1 O6\n1.0\n0.000000 -4.103136 -4.103136\n4.103136 -0.000000 -4.103136\n4.103136 -4.103136 0.000000\nSr Ca Hf Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ca\n-0.000000 0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Sn\n0.749859 0.250141 0.250141 O\n0.250141 0.749859 0.749859 O\n0.749859 0.250141 0.749859 O\n0.250141 0.749859 0.250141 O\n0.749859 0.749859 0.250141 O\n0.250141 0.250141 0.749859 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"Ca",
"Hf",
"Sn",
"O"
],
"chemical_system": "Ca-Hf-O-Sn-Sr",
"density": 6.260673479504767,
"density_atomic": 0.07238061487895804,
"volume": 138.15853895028357,
"volume_molar": 8.320101687545504,
"formula_full": "Sr1 Ca1 Hf1 Sn1 O6",
"formula_reduced": "SrCaHfSnO6",
"formula_anonymous": "ABCDE6",
"energy": -78.86126336,
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"updated_at": "2021-11-28T01:36:09.372000Z",
"spacegroup": 216
},
{
"id": "mp-569913",
"created_at": "2022-09-04T14:43:05.780094Z",
"structure_string": "Ce6 Si2 Pt10\n1.0\n-3.674828 3.749519 6.487534\n3.674828 -3.749519 6.487534\n3.674828 3.749519 -6.487534\nCe Si Pt\n6 2 10\ndirect\n0.826079 0.548066 0.278013 Ce\n0.616381 0.250000 0.366381 Ce\n0.173921 0.451934 0.721987 Ce\n0.383619 0.750000 0.633619 Ce\n0.229947 0.951934 0.278013 Ce\n0.770053 0.048066 0.721987 Ce\n0.216087 0.250000 0.966087 Si\n0.783913 0.750000 0.033913 Si\n0.169291 0.901876 0.859448 Pt\n0.830709 0.098124 0.140552 Pt\n0.457572 0.190157 0.859448 Pt\n0.542428 0.401876 0.732585 Pt\n0.830709 0.690157 0.732585 Pt\n0.457572 0.598124 0.267415 Pt\n0.542428 0.809843 0.140552 Pt\n0.169291 0.309843 0.267415 Pt\n0.000000 0.000000 0.500000 Pt\n0.000000 0.500000 0.000000 Pt\n",
"nsites": 18,
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"elements": [
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"Pt"
],
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"density": 13.224893598244545,
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"volume": 357.56270465253283,
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"formula_full": "Ce6 Si2 Pt10",
"formula_reduced": "Ce3SiPt5",
"formula_anonymous": "AB3C5",
"energy": -126.8426146,
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"updated_at": "2021-11-28T01:35:59.914000Z",
"spacegroup": 74
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{
"id": "mp-1222755",
"created_at": "2022-09-04T14:43:06.434771Z",
"structure_string": "La1 Y1 Mn4 Si4\n1.0\n3.955583 0.000000 0.000000\n0.000000 3.955583 0.000000\n0.000000 0.000000 10.516755\nLa Y Mn Si\n1 1 4 4\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Y\n0.000000 0.500000 0.256329 Mn\n0.500000 0.000000 0.743671 Mn\n0.500000 0.000000 0.256329 Mn\n0.000000 0.500000 0.743671 Mn\n0.500000 0.500000 0.130542 Si\n0.000000 0.000000 0.619031 Si\n0.000000 0.000000 0.380969 Si\n0.500000 0.500000 0.869458 Si\n",
"nsites": 10,
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"elements": [
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"Mn",
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],
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"density": 5.6501642244334835,
"density_atomic": 0.06077111992722584,
"volume": 164.5518465345895,
"volume_molar": 9.909543821492163,
"formula_full": "La1 Y1 Mn4 Si4",
"formula_reduced": "LaY(MnSi)4",
"formula_anonymous": "ABC4D4",
"energy": -75.34430232999999,
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"updated_at": "2021-11-28T01:35:55.556000Z",
"spacegroup": 123
},
{
"id": "mp-756520",
"created_at": "2022-09-04T14:43:06.435398Z",
"structure_string": "Li4 Al2 Co2 O8\n1.0\n3.758790 3.789942 -0.000051\n-3.758790 3.789942 0.000050\n-0.000085 -0.000001 6.323468\nLi Al Co O\n4 2 2 8\ndirect\n0.316980 0.683021 0.500001 Li\n0.683021 0.316980 0.999999 Li\n0.184082 0.184082 0.750000 Li\n0.815917 0.815917 0.250000 Li\n0.320745 0.679263 0.999998 Al\n0.679263 0.320745 0.500002 Al\n0.174525 0.174525 0.250000 Co\n0.825481 0.825481 0.750000 Co\n0.198388 0.822860 0.231975 O\n0.177144 0.801611 0.768030 O\n0.801611 0.177144 0.731970 O\n0.822860 0.198388 0.268025 O\n0.292320 0.346423 0.013902 O\n0.653566 0.707673 0.986101 O\n0.346423 0.292320 0.486098 O\n0.707673 0.653566 0.513899 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Al-Co-Li-O",
"density": 3.019339991614611,
"density_atomic": 0.08880839788994521,
"volume": 180.16314200181628,
"volume_molar": 6.781048755617537,
"formula_full": "Li4 Al2 Co2 O8",
"formula_reduced": "Li2AlCoO4",
"formula_anonymous": "ABC2D4",
"energy": -106.38665275,
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"spacegroup": 20
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{
"id": "mp-849624",
"created_at": "2022-09-04T14:43:05.316950Z",
"structure_string": "Li8 Mn12 B12 O36\n1.0\n3.173885 8.305418 0.000000\n-3.173885 8.305418 0.000000\n0.000000 0.162797 14.313002\nLi Mn B O\n8 12 12 36\ndirect\n0.669474 0.669474 0.140995 Li\n0.685598 0.685598 0.850743 Li\n0.145871 0.145871 0.512670 Li\n0.169524 0.169524 0.140076 Li\n0.920001 0.920001 0.639943 Li\n0.394355 0.394355 0.009251 Li\n0.418982 0.418982 0.640874 Li\n0.435302 0.435302 0.350473 Li\n0.344130 0.843141 0.324722 Mn\n0.340355 0.841883 0.685769 Mn\n0.092931 0.593650 0.824181 Mn\n0.087677 0.595312 0.185137 Mn\n0.060866 0.571736 0.489382 Mn\n0.312458 0.820575 0.989922 Mn\n0.820575 0.312458 0.989922 Mn\n0.571736 0.060866 0.489382 Mn\n0.595312 0.087677 0.185137 Mn\n0.593650 0.092931 0.824181 Mn\n0.841883 0.340355 0.685769 Mn\n0.843141 0.344130 0.324722 Mn\n0.746892 0.746892 0.328864 B\n0.500508 0.500508 0.164178 B\n0.500310 0.500310 0.832100 B\n0.249518 0.747692 0.503248 B\n0.498533 0.997857 0.003172 B\n0.753100 0.753100 0.666391 B\n0.996804 0.996804 0.830425 B\n0.004684 0.004684 0.167733 B\n0.997857 0.498533 0.003172 B\n0.747692 0.249518 0.503248 B\n0.252117 0.252117 0.664151 B\n0.250724 0.250724 0.332880 B\n0.977935 0.510753 0.907452 O\n0.510391 0.510391 0.735420 O\n0.506479 0.506479 0.067078 O\n0.568397 0.568397 0.889163 O\n0.568203 0.568203 0.219168 O\n0.669187 0.669187 0.364468 O\n0.675982 0.675982 0.705823 O\n0.092482 0.550314 0.046699 O\n0.262911 0.726830 0.407475 O\n0.510753 0.977935 0.907452 O\n0.431642 0.922853 0.056937 O\n0.179634 0.675127 0.556605 O\n0.303601 0.840078 0.546743 O\n0.760454 0.760454 0.232048 O\n0.811785 0.811785 0.388814 O\n0.818981 0.818981 0.725081 O\n0.068075 0.068075 0.231088 O\n0.766571 0.766571 0.571169 O\n0.919734 0.919734 0.867408 O\n0.925541 0.925541 0.196260 O\n0.009652 0.009652 0.733615 O\n0.174995 0.174995 0.375113 O\n0.025242 0.025242 0.073711 O\n0.062166 0.062166 0.889741 O\n0.173721 0.173721 0.696278 O\n0.840078 0.303601 0.546743 O\n0.675127 0.179634 0.556605 O\n0.922853 0.431642 0.056937 O\n0.726830 0.262911 0.407475 O\n0.550314 0.092482 0.046699 O\n0.264283 0.264283 0.567261 O\n0.317711 0.317711 0.723549 O\n0.319449 0.319449 0.389062 O\n0.423840 0.423840 0.872436 O\n0.259781 0.259781 0.236308 O\n0.424569 0.424569 0.206924 O\n",
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"elements": [
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"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.1259021506886935,
"density_atomic": 0.0901146714169838,
"volume": 754.5941069389964,
"volume_molar": 6.682752836254602,
"formula_full": "Li8 Mn12 B12 O36",
"formula_reduced": "Li2Mn3(BO3)3",
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"formation_energy": null,
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"energy_uncorrected": -503.53925838,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:55.324000Z",
"spacegroup": 8
},
{
"id": "mp-11743",
"created_at": "2022-09-04T14:43:05.326478Z",
"structure_string": "Li1 Y1 Ga4\n1.0\n2.177412 -3.771387 0.000000\n2.177412 3.771387 0.000000\n0.000000 0.000000 6.906499\nLi Y Ga\n1 1 4\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.333333 0.666667 0.308640 Ga\n0.666667 0.333333 0.776838 Ga\n0.333333 0.666667 0.691360 Ga\n0.666667 0.333333 0.223162 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Y",
"Ga"
],
"chemical_system": "Ga-Li-Y",
"density": 5.485903406534744,
"density_atomic": 0.052895848703169004,
"volume": 113.43045148343633,
"volume_molar": 11.384902421726741,
"formula_full": "Li1 Y1 Ga4",
"formula_reduced": "LiYGa4",
"formula_anonymous": "ABC4",
"energy": -23.49517461,
"energy_per_atom": -3.9158624349999998,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -23.49517461,
"band_gap": 0.0,
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"total_magnetization": 5.6e-06,
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"updated_at": "2021-11-28T01:35:56.062000Z",
"spacegroup": 187
},
{
"id": "mp-752473",
"created_at": "2022-09-04T14:43:05.340560Z",
"structure_string": "Sm1 Th4 O10\n1.0\n-4.435038 4.435038 2.805821\n4.435038 -4.435038 2.805821\n4.435038 4.435038 -2.805821\nSm Th O\n1 4 10\ndirect\n0.500000 0.500000 0.000000 Sm\n0.100798 0.298637 0.399435 Th\n0.899202 0.701363 0.600565 Th\n0.298637 0.899202 0.197838 Th\n0.701363 0.100798 0.802162 Th\n0.550598 0.651965 0.697788 O\n0.045823 0.147190 0.697788 O\n0.852810 0.550598 0.898634 O\n0.348035 0.045823 0.898634 O\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n0.449402 0.348035 0.302212 O\n0.954177 0.852810 0.302212 O\n0.651965 0.954177 0.101366 O\n0.147190 0.449402 0.101366 O\n",
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"elements": [
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"Th",
"O"
],
"chemical_system": "O-Sm-Th",
"density": 9.316068072819181,
"density_atomic": 0.06794799025434899,
"volume": 220.7570811712114,
"volume_molar": 8.86286811053187,
"formula_full": "Sm1 Th4 O10",
"formula_reduced": "SmTh4O10",
"formula_anonymous": "AB4C10",
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"updated_at": "2021-11-28T01:35:58.494000Z",
"spacegroup": 87
},
{
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"created_at": "2022-09-04T14:43:05.432547Z",
"structure_string": "Zn2 C2 O6\n1.0\n5.263292 -2.360661 0.000000\n5.263292 2.360661 0.000000\n4.204502 0.000000 3.949320\nZn C O\n2 2 6\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.750000 0.750000 0.750000 C\n0.250000 0.250000 0.250000 C\n0.475048 0.750000 0.024952 O\n0.750000 0.024952 0.475048 O\n0.975048 0.524952 0.250000 O\n0.524952 0.250000 0.975048 O\n0.250000 0.975048 0.524952 O\n0.024952 0.475048 0.750000 O\n",
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"C",
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],
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"density": 4.244193810043934,
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"volume": 98.13940263900261,
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"formula_full": "Zn2 C2 O6",
"formula_reduced": "ZnCO3",
"formula_anonymous": "ABC3",
"energy": -68.88936604,
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"updated_at": "2021-11-28T01:35:59.747000Z",
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}
]
}