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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=decomposes_to&page=11525",
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"results": [
{
"id": "mp-697121",
"created_at": "2022-09-04T14:47:15.206972Z",
"structure_string": "Mg1 Zn2 H12 Br6 O6\n1.0\n-4.145762 5.184850 5.301544\n4.145762 -5.184850 5.301544\n4.145762 5.184850 -5.301544\nMg Zn H Br O\n1 2 12 6 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.342395 0.842395 0.500000 Zn\n0.657605 0.157605 0.500000 Zn\n0.101989 0.163246 0.412375 H\n0.249129 0.836754 0.938742 H\n0.750871 0.689613 0.587625 H\n0.898011 0.310387 0.061258 H\n0.898011 0.836754 0.587625 H\n0.750871 0.163246 0.061258 H\n0.249129 0.310387 0.412375 H\n0.101989 0.689613 0.938742 H\n0.826161 0.749622 0.076539 H\n0.326916 0.250378 0.076539 H\n0.673084 0.749622 0.923461 H\n0.173839 0.250378 0.923461 H\n0.500000 0.223274 0.723274 Br\n0.500000 0.776726 0.276726 Br\n0.021083 0.712529 0.308555 Br\n0.596026 0.287471 0.308555 Br\n0.403974 0.712529 0.691445 Br\n0.978917 0.287471 0.691445 Br\n0.146590 0.175941 0.322531 O\n0.146590 0.824059 0.970649 O\n0.853410 0.824059 0.677469 O\n0.853410 0.175941 0.029351 O\n0.803923 0.803923 0.000000 O\n0.196077 0.196077 0.000000 O\n",
"nsites": 27,
"nelements": 5,
"elements": [
"Mg",
"Zn",
"H",
"Br",
"O"
],
"chemical_system": "Br-H-Mg-O-Zn",
"density": 2.7053517394450903,
"density_atomic": 0.05923260590449482,
"volume": 455.8300211125968,
"volume_molar": 10.166935369532704,
"formula_full": "Mg1 Zn2 H12 Br6 O6",
"formula_reduced": "MgZn2H12(BrO)6",
"formula_anonymous": "AB2C6D6E12",
"energy": -120.99222193,
"energy_per_atom": -4.481193404814815,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -113.66622193000002,
"band_gap": 3.6444,
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"total_magnetization": 0.0016884,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:59.993000Z",
"spacegroup": 71
},
{
"id": "mp-1176140",
"created_at": "2022-09-04T14:47:15.216696Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.980137 0.000000 0.000000\n1.157282 7.708958 0.000000\n0.044385 0.177792 12.566028\nLi Mn Co O\n9 2 5 16\ndirect\n0.196673 0.622176 0.058866 Li\n0.938179 0.123831 0.314279 Li\n0.681894 0.625248 0.565516 Li\n0.798767 0.380452 0.931255 Li\n0.562050 0.877967 0.188307 Li\n0.311846 0.375516 0.435191 Li\n0.447878 0.112750 0.813397 Li\n0.067617 0.871742 0.695496 Li\n0.608406 0.758514 0.870594 Li\n0.002826 0.992992 0.995560 Mn\n0.881542 0.252016 0.626505 Mn\n0.747289 0.502882 0.249682 Co\n0.504807 0.997935 0.499308 Co\n0.232923 0.511014 0.756235 Co\n0.382517 0.250476 0.128174 Co\n0.119375 0.748040 0.374915 Co\n0.568294 0.835194 0.027762 O\n0.384076 0.323484 0.274502 O\n0.084301 0.814990 0.521280 O\n0.225707 0.549492 0.893087 O\n0.970885 0.072672 0.148421 O\n0.699766 0.567810 0.396548 O\n0.868385 0.321701 0.774389 O\n0.514940 0.061385 0.648482 O\n0.795190 0.430346 0.101653 O\n0.536432 0.934088 0.350811 O\n0.249562 0.438237 0.606203 O\n0.428790 0.166354 0.977447 O\n0.117997 0.682074 0.224939 O\n0.927111 0.183088 0.476510 O\n0.023422 0.943938 0.853419 O\n0.620552 0.671595 0.721265 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.158707183977941,
"density_atomic": 0.11084600521607256,
"volume": 288.68879791944033,
"volume_molar": 5.432889302831453,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.82278688,
"energy_per_atom": -6.49446209,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.30478688,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.4448441,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.064000Z",
"spacegroup": 1
},
{
"id": "mp-1094909",
"created_at": "2022-09-04T14:47:15.219491Z",
"structure_string": "Mg4 Cd2\n1.0\n1.607080 -8.068170 0.000000\n1.607080 8.068170 0.000000\n0.000000 0.000000 5.085269\nMg Cd\n4 2\ndirect\n0.444570 0.555430 0.250000 Mg\n0.776781 0.223219 0.250000 Mg\n0.223219 0.776781 0.750000 Mg\n0.555430 0.444570 0.750000 Mg\n0.111800 0.888200 0.250000 Cd\n0.888200 0.111800 0.750000 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 4.055133431911637,
"density_atomic": 0.04549825985925994,
"volume": 131.87317533813027,
"volume_molar": 13.23598040590635,
"formula_full": "Mg4 Cd2",
"formula_reduced": "Mg2Cd",
"formula_anonymous": "AB2",
"energy": -8.82951692,
"energy_per_atom": -1.4715861533333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.82951692,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003332,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.915000Z",
"spacegroup": 63
},
{
"id": "mp-1025919",
"created_at": "2022-09-04T14:47:15.222478Z",
"structure_string": "Mo1 W2 Se2 S4\n1.0\n1.617482 -2.801562 0.000000\n1.617482 2.801562 0.000000\n0.000000 0.000000 29.673567\nMo W Se S\n1 2 2 4\ndirect\n0.000000 0.000000 0.115638 Mo\n0.000000 0.000000 0.578344 W\n0.333333 0.666667 0.346960 W\n0.333333 0.666667 0.520539 Se\n0.333333 0.666667 0.636117 Se\n0.000000 0.000000 0.399399 S\n0.333333 0.666667 0.063423 S\n0.333333 0.666667 0.167862 S\n0.000000 0.000000 0.294559 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 4.629723860505534,
"density_atomic": 0.03346594278444513,
"volume": 268.9301197330431,
"volume_molar": 17.99483372928933,
"formula_full": "Mo1 W2 Se2 S4",
"formula_reduced": "MoW2(SeS2)2",
"formula_anonymous": "AB2C2D4",
"energy": -69.86604238,
"energy_per_atom": -7.7628935977777775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.91004238,
"band_gap": 0.5496999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002198,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.112000Z",
"spacegroup": 156
},
{
"id": "mp-997031",
"created_at": "2022-09-04T14:47:15.359731Z",
"structure_string": "Mg2 Cu2 O4\n1.0\n3.052219 -4.155804 0.000000\n3.052219 4.155804 0.000000\n0.000000 0.000000 3.065109\nMg Cu O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.750000 0.250000 0.096307 O\n0.250000 0.750000 0.903693 O\n0.750000 0.750000 0.500000 O\n0.250000 0.250000 0.500000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"O"
],
"chemical_system": "Cu-Mg-O",
"density": 5.11881860218575,
"density_atomic": 0.10288292899252872,
"volume": 77.75828388965242,
"volume_molar": 5.85339163549409,
"formula_full": "Mg2 Cu2 O4",
"formula_reduced": "MgCuO2",
"formula_anonymous": "ABC2",
"energy": -46.83421987,
"energy_per_atom": -5.85427748375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.08621987,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004191,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.458000Z",
"spacegroup": 67
},
{
"id": "mp-1378086",
"created_at": "2022-09-04T14:47:15.211970Z",
"structure_string": "V4 Zn4 O12\n1.0\n5.150506 0.000000 0.000000\n0.000000 5.153864 0.000000\n0.000000 0.000000 7.643512\nV Zn O\n4 4 12\ndirect\n0.000000 0.000000 0.500000 V\n0.500000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.966442 0.493136 0.750000 Zn\n0.533558 0.993136 0.250000 Zn\n0.466442 0.006864 0.750000 Zn\n0.033558 0.506864 0.250000 Zn\n0.427214 0.613811 0.250000 O\n0.072786 0.113811 0.750000 O\n0.927214 0.886189 0.250000 O\n0.572786 0.386189 0.750000 O\n0.691350 0.829747 0.937865 O\n0.808650 0.329747 0.062135 O\n0.191350 0.670253 0.562135 O\n0.308650 0.170253 0.437865 O\n0.691350 0.829747 0.562135 O\n0.808650 0.329747 0.437865 O\n0.308650 0.170253 0.062135 O\n0.191350 0.670253 0.937865 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"Zn",
"O"
],
"chemical_system": "O-V-Zn",
"density": 5.380214103185048,
"density_atomic": 0.09857214160962152,
"volume": 202.89708302378835,
"volume_molar": 6.1093739688132995,
"formula_full": "V4 Zn4 O12",
"formula_reduced": "VZnO3",
"formula_anonymous": "ABC3",
"energy": -143.24038763,
"energy_per_atom": -7.1620193814999995,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -128.19638763,
"band_gap": 0.8621000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.9999889,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.263000Z",
"spacegroup": 62
},
{
"id": "mp-1236902",
"created_at": "2022-09-04T14:47:15.216808Z",
"structure_string": "H8 I6 N2 O18\n1.0\n-0.151250 0.011110 -8.259846\n7.624066 -0.268225 -3.924878\n-1.130544 -7.396508 -3.488240\nH I N O\n8 6 2 18\ndirect\n0.627589 0.227480 0.791450 H\n0.372411 0.772520 0.208550 H\n0.354041 0.119584 0.662379 H\n0.645959 0.880416 0.337621 H\n0.417013 0.415443 0.815976 H\n0.582987 0.584557 0.184024 H\n0.615545 0.323553 0.597075 H\n0.384455 0.676447 0.402925 H\n0.557834 0.175061 0.236436 I\n0.442166 0.824939 0.763564 I\n0.006694 0.740649 0.711167 I\n0.993306 0.259351 0.288833 I\n0.077572 0.704443 0.206215 I\n0.922428 0.295557 0.793785 I\n0.570372 0.346039 0.739114 N\n0.429628 0.653961 0.260886 N\n0.402490 0.200614 0.473205 O\n0.597510 0.799386 0.526795 O\n0.398813 0.185534 0.134119 O\n0.601187 0.814466 0.865881 O\n0.960283 0.829397 0.516380 O\n0.039717 0.170603 0.483620 O\n0.051050 0.514844 0.681973 O\n0.948950 0.485156 0.318027 O\n0.345755 0.548701 0.238601 O\n0.654245 0.451299 0.761399 O\n0.712825 0.914067 0.213117 O\n0.287175 0.085933 0.786883 O\n0.179782 0.597896 0.982571 O\n0.820218 0.402104 0.017429 O\n0.266958 0.709792 0.623125 O\n0.733042 0.290208 0.376875 O\n0.154839 0.880306 0.139324 O\n0.845161 0.119694 0.860676 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"H",
"I",
"N",
"O"
],
"chemical_system": "H-I-N-O",
"density": 3.8117272755733462,
"density_atomic": 0.07189929570667378,
"volume": 472.8836307202392,
"volume_molar": 8.375799374403353,
"formula_full": "H8 I6 N2 O18",
"formula_reduced": "H4I3NO9",
"formula_anonymous": "AB3C4D9",
"energy": -166.48011307,
"energy_per_atom": -4.896473913823529,
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"band_gap": 2.1899,
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"updated_at": "2021-11-28T01:38:02.191000Z",
"spacegroup": 2
},
{
"id": "mp-1099665",
"created_at": "2022-09-04T14:47:15.391283Z",
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{
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{
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{
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}