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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=1762",
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"results": [
{
"id": "mp-865247",
"created_at": "2022-09-04T14:41:04.724436Z",
"structure_string": "Ga1 Fe1 Ir2\n1.0\n0.000000 3.004278 3.004278\n3.004278 0.000000 3.004278\n3.004278 3.004278 0.000000\nGa Fe Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Fe\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
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{
"id": "mp-1206021",
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"structure_string": "Zr1 Ni4 O1\n1.0\n0.000000 3.325010 3.325010\n3.325010 0.000000 3.325010\n3.325010 3.325010 0.000000\nZr Ni O\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.625024 0.625024 0.625024 Ni\n0.625024 0.625024 0.124929 Ni\n0.625024 0.124929 0.625024 Ni\n0.124929 0.625024 0.625024 Ni\n0.250000 0.250000 0.250000 O\n",
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},
{
"id": "mp-1227261",
"created_at": "2022-09-04T14:48:08.539610Z",
"structure_string": "Ca1 Eu1 S2\n1.0\n6.779088 -2.046203 0.000000\n6.779088 2.046203 0.000000\n6.161461 0.000000 3.489897\nCa Eu S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Eu\n0.251793 0.251793 0.251793 S\n0.748207 0.748207 0.748207 S\n",
"nsites": 4,
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"elements": [
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"Eu",
"S"
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"chemical_system": "Ca-Eu-S",
"density": 4.393576196330228,
"density_atomic": 0.04131401449530722,
"volume": 96.81944610960893,
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"formula_full": "Ca1 Eu1 S2",
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:38:26.929000Z",
"spacegroup": 166
},
{
"id": "mp-1025250",
"created_at": "2022-09-04T14:43:15.131125Z",
"structure_string": "Rh1 F6\n1.0\n-3.227197 3.227197 3.227197\n3.227197 -3.227197 3.227197\n3.227197 3.227197 -3.227197\nRh F\n1 6\ndirect\n0.000000 0.000000 0.000000 Rh\n0.000000 0.289879 0.289879 F\n0.000000 0.710121 0.710121 F\n0.289879 0.000000 0.289879 F\n0.710121 0.000000 0.710121 F\n0.289879 0.289879 0.000000 F\n0.710121 0.710121 0.000000 F\n",
"nsites": 7,
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"elements": [
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"density": 2.678946593285883,
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"volume": 134.44245141742627,
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"formula_full": "Rh1 F6",
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"updated_at": "2021-11-28T01:36:13.167000Z",
"spacegroup": 229
},
{
"id": "mp-1026673",
"created_at": "2022-09-04T14:42:22.268802Z",
"structure_string": "Rb1 Mg14 Mo1\n1.0\n6.502318 -0.000000 0.000000\n-3.251159 5.631172 0.000000\n0.000000 0.000000 10.355541\nRb Mg Mo\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Rb\n0.178894 0.839447 0.125000 Mg\n0.155480 0.827740 0.625000 Mg\n0.660553 0.321106 0.125000 Mg\n0.672260 0.344520 0.625000 Mg\n0.660553 0.839447 0.125000 Mg\n0.672260 0.827740 0.625000 Mg\n0.331686 0.168314 0.401679 Mg\n0.331686 0.168314 0.848321 Mg\n0.331686 0.663373 0.401679 Mg\n0.331686 0.663373 0.848321 Mg\n0.836627 0.168314 0.401679 Mg\n0.836627 0.168314 0.848321 Mg\n0.833333 0.666667 0.365722 Mg\n0.833333 0.666667 0.884278 Mg\n0.166667 0.333333 0.625000 Mo\n",
"nsites": 16,
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"elements": [
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"Mg",
"Mo"
],
"chemical_system": "Mg-Mo-Rb",
"density": 2.284607840053261,
"density_atomic": 0.04219686557167618,
"volume": 379.1750828701288,
"volume_molar": 14.271535760803628,
"formula_full": "Rb1 Mg14 Mo1",
"formula_reduced": "RbMg14Mo",
"formula_anonymous": "ABC14",
"energy": -30.09461659,
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"updated_at": "2021-11-28T01:35:46.729000Z",
"spacegroup": 187
},
{
"id": "mp-1208199",
"created_at": "2022-09-04T14:40:30.303557Z",
"structure_string": "Ti1 C3\n1.0\n-1.305831 -2.261765 0.000000\n-3.399925 3.470791 0.000000\n0.000000 0.000000 -4.082237\nTi C\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 C\n0.500000 0.500000 0.000000 C\n0.000000 0.500000 0.000000 C\n",
"nsites": 4,
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"elements": [
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"chemical_system": "C-Ti",
"density": 2.792302264486778,
"density_atomic": 0.08017076362925109,
"volume": 49.89350006067001,
"volume_molar": 7.511642009360583,
"formula_full": "Ti1 C3",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:57.387000Z",
"spacegroup": 65
},
{
"id": "mp-1221634",
"created_at": "2022-09-04T14:40:12.727910Z",
"structure_string": "Mn1 Co2 Si1\n1.0\n2.847955 0.000000 0.000000\n0.000000 2.847955 0.000000\n0.000000 0.000000 5.581084\nMn Co Si\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.734230 Co\n0.000000 0.000000 0.265770 Co\n0.500000 0.500000 0.500000 Si\n",
"nsites": 4,
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"chemical_system": "Co-Mn-Si",
"density": 7.369236101468549,
"density_atomic": 0.08836396330568484,
"volume": 45.2673222245868,
"volume_molar": 6.815154656618451,
"formula_full": "Mn1 Co2 Si1",
"formula_reduced": "MnCo2Si",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:50.686000Z",
"spacegroup": 123
},
{
"id": "mp-1078181",
"created_at": "2022-09-04T14:47:46.953366Z",
"structure_string": "Si2 Br6\n1.0\n5.950750 3.451518 0.000000\n-5.950750 3.451518 0.000000\n0.000000 2.474053 7.439058\nSi Br\n2 6\ndirect\n0.453621 0.453621 0.659071 Si\n0.546379 0.546379 0.340929 Si\n0.734999 0.734999 0.739537 Br\n0.265001 0.265001 0.260463 Br\n0.117266 0.422585 0.765851 Br\n0.422585 0.117266 0.765851 Br\n0.882734 0.577415 0.234149 Br\n0.577415 0.882734 0.234149 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Br"
],
"chemical_system": "Br-Si",
"density": 2.9104210522897964,
"density_atomic": 0.02617943073227109,
"volume": 305.5834208854087,
"volume_molar": 23.00332968117819,
"formula_full": "Si2 Br6",
"formula_reduced": "SiBr3",
"formula_anonymous": "AB3",
"energy": -30.0966494,
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"updated_at": "2021-11-28T01:38:20.698000Z",
"spacegroup": 12
},
{
"id": "mp-972125",
"created_at": "2022-09-04T14:43:05.375326Z",
"structure_string": "Li2 Tb6\n1.0\n3.512661 -6.084108 0.000000\n3.512661 6.084108 0.000000\n0.000000 0.000000 5.548001\nLi Tb\n2 6\ndirect\n0.666667 0.333333 0.250000 Li\n0.333333 0.666667 0.750000 Li\n0.831022 0.168978 0.750000 Tb\n0.337956 0.168978 0.750000 Tb\n0.831022 0.662044 0.750000 Tb\n0.168978 0.831022 0.250000 Tb\n0.662044 0.831022 0.250000 Tb\n0.168978 0.337956 0.250000 Tb\n",
"nsites": 8,
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"density": 6.774399570595631,
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"volume": 237.13719580165903,
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"formula_full": "Li2 Tb6",
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"energy": -30.09740427,
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"energy_above_hull": null,
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{
"id": "mp-1078092",
"created_at": "2022-09-04T14:46:12.474924Z",
"structure_string": "Pr1 In5 Ir1\n1.0\n4.730037 0.000000 0.000000\n0.000000 4.730037 0.000000\n0.000000 0.000000 7.618031\nPr In Ir\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.000000 In\n0.500000 0.000000 0.695270 In\n0.000000 0.500000 0.695270 In\n0.500000 0.000000 0.304730 In\n0.000000 0.500000 0.304730 In\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 7,
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"elements": [
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"density": 8.838678573812853,
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"volume": 170.44011223353974,
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"formula_full": "Pr1 In5 Ir1",
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},
{
"id": "mp-672705",
"created_at": "2022-09-04T14:44:18.222311Z",
"structure_string": "Yb2 S4\n1.0\n2.162163 4.369753 0.000000\n-2.162163 4.369753 0.000000\n0.000000 3.949165 6.928285\nYb S\n2 4\ndirect\n0.865940 0.134060 0.250000 Yb\n0.134060 0.865940 0.750000 Yb\n0.211272 0.471163 0.528441 S\n0.528837 0.788728 0.971559 S\n0.788728 0.528837 0.471559 S\n0.471163 0.211272 0.028441 S\n",
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"volume": 130.91851197892535,
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"formula_full": "Yb2 S4",
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"energy": -30.09913818,
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"updated_at": "2021-11-28T01:36:38.610000Z",
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{
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"created_at": "2022-09-04T14:40:08.302467Z",
"structure_string": "Lu3 In1 N1\n1.0\n4.684340 0.000000 0.000000\n0.000000 4.684340 0.000000\n0.000000 0.000000 4.684340\nLu In N\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Lu\n0.000000 0.500000 0.500000 Lu\n0.500000 0.000000 0.500000 Lu\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
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"density": 10.560863451591402,
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"volume": 102.7886657815705,
"volume_molar": 12.380156277384259,
"formula_full": "Lu3 In1 N1",
"formula_reduced": "Lu3InN",
"formula_anonymous": "ABC3",
"energy": -30.10132722,
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"updated_at": "2021-11-28T01:34:54.172000Z",
"spacegroup": 221
}
]
}