HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=12169",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=12167",
"results": [
{
"id": "mp-1096626",
"created_at": "2022-09-04T14:47:24.568616Z",
"structure_string": "Ba2 Na1 Sn1\n1.0\n-7.030813 7.278277 10.271138\n7.030813 -7.278277 10.271138\n7.030813 7.278277 -10.271138\nBa Na Sn\n2 1 1\ndirect\n0.000000 0.272688 0.272688 Ba\n0.000000 0.727312 0.727312 Ba\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Sn"
],
"chemical_system": "Ba-Na-Sn",
"density": 0.32885080955100965,
"density_atomic": 0.0019025991942046687,
"volume": 2102.3870987562855,
"volume_molar": 316.5217760179593,
"formula_full": "Ba2 Na1 Sn1",
"formula_reduced": "Ba2NaSn",
"formula_anonymous": "ABC2",
"energy": -5.15493015,
"energy_per_atom": -1.2887325375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.15493015,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999811,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.281000Z",
"spacegroup": 71
},
{
"id": "mp-723897",
"created_at": "2022-09-04T14:48:30.712339Z",
"structure_string": "P4\n1.0\n9.200000 0.000000 0.000000\n0.000000 9.200000 0.000000\n0.000000 0.000000 7.400000\nP\n4\ndirect\n0.500000 0.500000 0.000000 P\n0.000000 0.000000 0.000000 P\n0.000000 0.500000 0.625000 P\n0.500000 0.000000 0.375000 P\n",
"nsites": 4,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 0.3284699703709865,
"density_atomic": 0.006386348541357994,
"volume": 626.3359999999999,
"volume_molar": 94.29708887638398,
"formula_full": "P4",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -7.57720448,
"energy_per_atom": -1.89430112,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.57720448,
"band_gap": 2.1942,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9999654,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:50.799000Z",
"spacegroup": 129
},
{
"id": "mp-1093793",
"created_at": "2022-09-04T14:42:27.870236Z",
"structure_string": "Ti2 Be1 Tc1\n1.0\n-4.753049 6.075419 8.893136\n4.753049 -6.075419 8.893136\n4.753049 6.075419 -8.893136\nTi Be Tc\n2 1 1\ndirect\n0.000000 0.277440 0.277440 Ti\n0.000000 0.722560 0.722560 Ti\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Tc"
],
"chemical_system": "Be-Tc-Ti",
"density": 0.32774670200123024,
"density_atomic": 0.003894005311052937,
"volume": 1027.219965172159,
"volume_molar": 154.65158054372597,
"formula_full": "Ti2 Be1 Tc1",
"formula_reduced": "Ti2BeTc",
"formula_anonymous": "ABC2",
"energy": -17.09748212,
"energy_per_atom": -4.27437053,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.09748212,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.23128,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.606000Z",
"spacegroup": 71
},
{
"id": "mp-1206620",
"created_at": "2022-09-04T14:41:08.464715Z",
"structure_string": "Pr2 Cd1 Sb3\n1.0\n9.819627 0.000000 0.000000\n0.000000 9.819627 0.000000\n0.000000 0.000000 39.956455\nPr Cd Sb\n2 1 3\ndirect\n0.500000 0.500000 0.241415 Pr\n0.500000 0.500000 0.758585 Pr\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.690191 Sb\n0.500000 0.500000 0.309809 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Cd",
"Sb"
],
"chemical_system": "Cd-Pr-Sb",
"density": 0.32734336716641094,
"density_atomic": 0.0015573072939169016,
"volume": 3852.804146899579,
"volume_molar": 386.7021482223497,
"formula_full": "Pr2 Cd1 Sb3",
"formula_reduced": "Pr2CdSb3",
"formula_anonymous": "AB2C3",
"energy": -12.03534247,
"energy_per_atom": -2.0058904116666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.45934247,
"band_gap": 0.1200999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.1721503,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.106000Z",
"spacegroup": 123
},
{
"id": "mp-1206111",
"created_at": "2022-09-04T14:39:48.804269Z",
"structure_string": "Y2 Ag1 Sb3\n1.0\n9.096539 0.000000 0.000000\n0.000000 9.096539 0.000000\n0.000000 0.000000 40.021914\nY Ag Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243010 Y\n0.500000 0.500000 0.756990 Y\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.691011 Sb\n0.500000 0.500000 0.308989 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Ag",
"Sb"
],
"chemical_system": "Ag-Sb-Y",
"density": 0.32640222282833226,
"density_atomic": 0.0018117614903115093,
"volume": 3311.694189376095,
"volume_molar": 332.3914760416157,
"formula_full": "Y2 Ag1 Sb3",
"formula_reduced": "Y2AgSb3",
"formula_anonymous": "AB2C3",
"energy": -15.046437790000002,
"energy_per_atom": -2.507739631666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.470437790000002,
"band_gap": 0.1608999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.7909516,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.684000Z",
"spacegroup": 123
},
{
"id": "mp-1096303",
"created_at": "2022-09-04T14:39:44.885388Z",
"structure_string": "Mg2 Zn1 Ga1\n1.0\n-5.327614 5.571841 7.876203\n5.327614 -5.571841 7.876203\n5.327614 5.571841 -7.876203\nMg Zn Ga\n2 1 1\ndirect\n0.000000 0.252483 0.252483 Mg\n0.000000 0.747517 0.747517 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Ga"
],
"chemical_system": "Ga-Mg-Zn",
"density": 0.3262489917037634,
"density_atomic": 0.004277121946048481,
"volume": 935.2083130796618,
"volume_molar": 140.79890253219682,
"formula_full": "Mg2 Zn1 Ga1",
"formula_reduced": "Mg2ZnGa",
"formula_anonymous": "ABC2",
"energy": -2.48907358,
"energy_per_atom": -0.622268395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.48907358,
"band_gap": 0.0707999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.9999346,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.439000Z",
"spacegroup": 71
},
{
"id": "mp-1097521",
"created_at": "2022-09-04T14:45:22.026942Z",
"structure_string": "Ca2 Tl1 Ga1\n1.0\n-6.054758 7.338699 10.157767\n6.054758 -7.338699 10.157767\n6.054758 7.338699 -10.157767\nCa Tl Ga\n2 1 1\ndirect\n0.000000 0.241451 0.241451 Ca\n0.000000 0.758549 0.758549 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"Ga"
],
"chemical_system": "Ca-Ga-Tl",
"density": 0.325836650243054,
"density_atomic": 0.002215572103730671,
"volume": 1805.4027640376207,
"volume_molar": 271.80973933819047,
"formula_full": "Ca2 Tl1 Ga1",
"formula_reduced": "Ca2TlGa",
"formula_anonymous": "ABC2",
"energy": -4.1498721,
"energy_per_atom": -1.037468025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.1498721,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1055238,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.717000Z",
"spacegroup": 71
},
{
"id": "mp-1093776",
"created_at": "2022-09-04T14:46:23.513270Z",
"structure_string": "Mg2 Zn1 Cu1\n1.0\n-5.355569 5.477214 7.735315\n5.355569 -5.477214 7.735315\n5.355569 5.477214 -7.735315\nMg Zn Cu\n2 1 1\ndirect\n0.000000 0.237343 0.237343 Mg\n0.000000 0.762657 0.762657 Mg\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Cu"
],
"chemical_system": "Cu-Mg-Zn",
"density": 0.3248651609008015,
"density_atomic": 0.004407138180701736,
"volume": 907.618467130316,
"volume_molar": 136.6451541358549,
"formula_full": "Mg2 Zn1 Cu1",
"formula_reduced": "Mg2ZnCu",
"formula_anonymous": "ABC2",
"energy": -3.7478223,
"energy_per_atom": -0.936955575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.7478223,
"band_gap": 0.7677,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.58e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.858000Z",
"spacegroup": 71
},
{
"id": "mp-1096403",
"created_at": "2022-09-04T14:41:05.401929Z",
"structure_string": "Ca2 Mg1 Hg1\n1.0\n-6.281515 6.990040 8.888740\n6.281515 -6.990040 8.888740\n6.281515 6.990040 -8.888740\nCa Mg Hg\n2 1 1\ndirect\n0.741281 0.000000 0.741281 Ca\n0.258719 0.000000 0.258719 Ca\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Hg"
],
"chemical_system": "Ca-Hg-Mg",
"density": 0.32447205095369036,
"density_atomic": 0.0025622159759571767,
"volume": 1561.1486453657385,
"volume_molar": 235.036422241895,
"formula_full": "Ca2 Mg1 Hg1",
"formula_reduced": "Ca2MgHg",
"formula_anonymous": "ABC2",
"energy": -1.32382565,
"energy_per_atom": -0.3309564125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.32382565,
"band_gap": 0.2777000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.725000Z",
"spacegroup": 71
},
{
"id": "mp-1206726",
"created_at": "2022-09-04T14:42:01.320940Z",
"structure_string": "Tb2 Ag1 Sb3\n1.0\n10.262590 0.000000 0.000000\n0.000000 10.262590 0.000000\n0.000000 0.000000 38.551178\nTb Ag Sb\n2 1 3\ndirect\n0.500000 0.500000 0.241815 Tb\n0.500000 0.500000 0.758185 Tb\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.689723 Sb\n0.500000 0.500000 0.310277 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Ag",
"Sb"
],
"chemical_system": "Ag-Sb-Tb",
"density": 0.3234993156058042,
"density_atomic": 0.0014777454798091828,
"volume": 4060.239115584887,
"volume_molar": 407.522191221835,
"formula_full": "Tb2 Ag1 Sb3",
"formula_reduced": "Tb2AgSb3",
"formula_anonymous": "AB2C3",
"energy": -11.42385959,
"energy_per_atom": -1.9039765983333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.84785959,
"band_gap": 0.1181999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8912307,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.612000Z",
"spacegroup": 123
},
{
"id": "mp-1097676",
"created_at": "2022-09-04T14:47:55.581283Z",
"structure_string": "Li2 In1 Ga1\n1.0\n-5.632012 5.699566 7.937797\n5.632012 -5.699566 7.937797\n5.632012 5.699566 -7.937797\nLi In Ga\n2 1 1\ndirect\n0.243624 0.000000 0.243624 Li\n0.756376 0.000000 0.756376 Li\n0.500000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"In",
"Ga"
],
"chemical_system": "Ga-In-Li",
"density": 0.32327771740660316,
"density_atomic": 0.003924593256763273,
"volume": 1019.2139002192848,
"volume_molar": 153.4462392917282,
"formula_full": "Li2 In1 Ga1",
"formula_reduced": "Li2InGa",
"formula_anonymous": "ABC2",
"energy": -5.043159,
"energy_per_atom": -1.26078975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.043159,
"band_gap": 0.0139,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0020054,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.761000Z",
"spacegroup": 71
},
{
"id": "mp-1207366",
"created_at": "2022-09-04T14:41:17.060723Z",
"structure_string": "Tb2 Sb3 Pd1\n1.0\n10.272873 0.000000 0.000000\n0.000000 10.272873 0.000000\n0.000000 0.000000 38.469568\nTb Sb Pd\n2 3 1\ndirect\n0.500000 0.500000 0.241620 Tb\n0.500000 0.500000 0.758380 Tb\n0.500000 0.500000 0.689606 Sb\n0.500000 0.500000 0.310394 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Sb",
"Pd"
],
"chemical_system": "Pd-Sb-Tb",
"density": 0.3229445596575601,
"density_atomic": 0.0014779171976716365,
"volume": 4059.7673600744442,
"volume_molar": 407.47484158703185,
"formula_full": "Tb2 Sb3 Pd1",
"formula_reduced": "Tb2Sb3Pd",
"formula_anonymous": "AB2C3",
"energy": -12.550528630000002,
"energy_per_atom": -2.091754771666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.97452863,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.233568,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.471000Z",
"spacegroup": 123
}
]
}