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=-volume_molar&page=125",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume_molar&page=123",
"results": [
{
"id": "mp-1093988",
"created_at": "2022-09-04T14:45:28.369358Z",
"structure_string": "Ag1 Pd2 Au1\n1.0\n-5.269057 5.384305 7.536851\n5.269057 -5.384305 7.536851\n5.269057 5.384305 -7.536851\nAg Pd Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.253308 0.253308 Pd\n0.000000 0.746692 0.746692 Pd\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Pd",
"Au"
],
"chemical_system": "Ag-Au-Pd",
"density": 1.0050637865401093,
"density_atomic": 0.004676786244851576,
"volume": 855.2881809390767,
"volume_molar": 128.76664539948675,
"formula_full": "Ag1 Pd2 Au1",
"formula_reduced": "AgPd2Au",
"formula_anonymous": "ABC2",
"energy": -8.30794131,
"energy_per_atom": -2.0769853275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.30794131,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0062372,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.118000Z",
"spacegroup": 71
},
{
"id": "mp-1096572",
"created_at": "2022-09-04T14:44:08.628343Z",
"structure_string": "Sc2 Ir1 Pt1\n1.0\n-4.750016 5.592623 8.048042\n4.750016 -5.592623 8.048042\n4.750016 5.592623 -8.048042\nSc Ir Pt\n2 1 1\ndirect\n0.000000 0.242394 0.242394 Sc\n0.000000 0.757606 0.757606 Sc\n0.000000 0.000000 0.000000 Ir\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ir",
"Pt"
],
"chemical_system": "Ir-Pt-Sc",
"density": 0.9266172074582013,
"density_atomic": 0.004677342246678445,
"volume": 855.1865117077008,
"volume_molar": 128.75133873892904,
"formula_full": "Sc2 Ir1 Pt1",
"formula_reduced": "Sc2IrPt",
"formula_anonymous": "ABC2",
"energy": -20.96171833,
"energy_per_atom": -5.2404295825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.96171833,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9441802,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.206000Z",
"spacegroup": 71
},
{
"id": "mp-1097451",
"created_at": "2022-09-04T14:45:06.007415Z",
"structure_string": "Sc1 Mn1 Pt2\n1.0\n-4.811880 5.530576 8.024778\n4.811880 -5.530576 8.024778\n4.811880 5.530576 -8.024778\nSc Mn Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Mn\n0.000000 0.239831 0.239831 Pt\n0.000000 0.760169 0.760169 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Mn",
"Pt"
],
"chemical_system": "Mn-Pt-Sc",
"density": 0.952624872293652,
"density_atomic": 0.004682543496770083,
"volume": 854.236592304826,
"volume_molar": 128.60832503005986,
"formula_full": "Sc1 Mn1 Pt2",
"formula_reduced": "ScMnPt2",
"formula_anonymous": "ABC2",
"energy": -21.47738404,
"energy_per_atom": -5.36934601,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.47738404,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.1072132,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.149000Z",
"spacegroup": 71
},
{
"id": "mp-1096627",
"created_at": "2022-09-04T14:39:36.576687Z",
"structure_string": "Ta2 Mn1 W1\n1.0\n-4.859573 5.517271 7.964944\n4.859573 -5.517271 7.964944\n4.859573 5.517271 -7.964944\nTa Mn W\n2 1 1\ndirect\n0.000000 0.258584 0.258584 Ta\n0.000000 0.741416 0.741416 Ta\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"W"
],
"chemical_system": "Mn-Ta-W",
"density": 1.1676767843287095,
"density_atomic": 0.004682683946799863,
"volume": 854.2109707689309,
"volume_molar": 128.6044676176687,
"formula_full": "Ta2 Mn1 W1",
"formula_reduced": "Ta2MnW",
"formula_anonymous": "ABC2",
"energy": -26.92218536,
"energy_per_atom": -6.73054634,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.92218536,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5302909,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.766000Z",
"spacegroup": 71
},
{
"id": "mp-1093754",
"created_at": "2022-09-04T14:47:10.613943Z",
"structure_string": "Y1 Sc1 Ru2\n1.0\n-4.600800 5.749450 8.072798\n4.600800 -5.749450 8.072798\n4.600800 5.749450 -8.072798\nY Sc Ru\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.000000 0.242026 0.242026 Ru\n0.000000 0.757974 0.757974 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Sc",
"Ru"
],
"chemical_system": "Ru-Sc-Y",
"density": 0.6532011179073113,
"density_atomic": 0.004682914821127132,
"volume": 854.1688569593156,
"volume_molar": 128.5981272354326,
"formula_full": "Y1 Sc1 Ru2",
"formula_reduced": "YScRu2",
"formula_anonymous": "ABC2",
"energy": -20.89995973,
"energy_per_atom": -5.2249899325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.89995973,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0914774,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.645000Z",
"spacegroup": 71
},
{
"id": "mp-1097422",
"created_at": "2022-09-04T14:40:54.684231Z",
"structure_string": "Zn1 In1 Rh2\n1.0\n-5.058127 5.457811 7.733130\n5.058127 -5.457811 7.733130\n5.058127 5.457811 -7.733130\nZn In Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 In\n0.000000 0.246438 0.246438 Rh\n0.000000 0.753562 0.753562 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"In",
"Rh"
],
"chemical_system": "In-Rh-Zn",
"density": 0.7506813567639995,
"density_atomic": 0.00468421118947134,
"volume": 853.9324633762808,
"volume_molar": 128.56253734963772,
"formula_full": "Zn1 In1 Rh2",
"formula_reduced": "ZnInRh2",
"formula_anonymous": "ABC2",
"energy": -10.76175261,
"energy_per_atom": -2.6904381525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.76175261,
"band_gap": 0.0966999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0003649,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.161000Z",
"spacegroup": 71
},
{
"id": "mp-1097571",
"created_at": "2022-09-04T14:40:17.041982Z",
"structure_string": "Hf2 V1 Re1\n1.0\n-4.867151 5.569629 7.874298\n4.867151 -5.569629 7.874298\n4.867151 5.569629 -7.874298\nHf V Re\n2 1 1\ndirect\n0.000000 0.258099 0.258099 Hf\n0.000000 0.741901 0.741901 Hf\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"V",
"Re"
],
"chemical_system": "Hf-Re-V",
"density": 1.1554643698132991,
"density_atomic": 0.004684756971318526,
"volume": 853.832978848036,
"volume_molar": 128.5475596038244,
"formula_full": "Hf2 V1 Re1",
"formula_reduced": "Hf2VRe",
"formula_anonymous": "ABC2",
"energy": -24.52816235,
"energy_per_atom": -6.1320405875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.52816235,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.4272739,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.027000Z",
"spacegroup": 71
},
{
"id": "mp-1248522",
"created_at": "2022-09-04T14:40:28.344467Z",
"structure_string": "Hf2 Al1 Re1\n1.0\n-8.943317 0.000000 -5.163427\n-9.031045 -0.803158 5.315376\n-5.612842 8.864981 -0.605126\nHf Al Re\n2 1 1\ndirect\n0.724916 0.000000 0.000000 Hf\n0.275084 0.000000 0.000000 Hf\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.000000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Al",
"Re"
],
"chemical_system": "Al-Hf-Re",
"density": 1.109000954944878,
"density_atomic": 0.004685323306234379,
"volume": 853.7297724316111,
"volume_molar": 128.53202151464825,
"formula_full": "Hf2 Al1 Re1",
"formula_reduced": "Hf2AlRe",
"formula_anonymous": "ABC2",
"energy": -21.15623208,
"energy_per_atom": -5.28905802,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.15623208,
"band_gap": 0.1464000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.99999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.436000Z",
"spacegroup": 71
},
{
"id": "mp-1095802",
"created_at": "2022-09-04T14:44:41.156206Z",
"structure_string": "Mg1 Mn1 Pd2\n1.0\n-4.942281 5.524838 7.811949\n4.942281 -5.524838 7.811949\n4.942281 5.524838 -7.811949\nMg Mn Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mn\n0.000000 0.256199 0.256199 Pd\n0.000000 0.743801 0.743801 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Pd"
],
"chemical_system": "Mg-Mn-Pd",
"density": 0.5684458131371376,
"density_atomic": 0.004688064933488359,
"volume": 853.230502723354,
"volume_molar": 128.45685470314004,
"formula_full": "Mg1 Mn1 Pd2",
"formula_reduced": "MgMnPd2",
"formula_anonymous": "ABC2",
"energy": -14.56619214,
"energy_per_atom": -3.641548035,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.56619214,
"band_gap": 0.2989000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9999454,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.479000Z",
"spacegroup": 71
},
{
"id": "mp-1096520",
"created_at": "2022-09-04T14:40:02.327212Z",
"structure_string": "Li1 Sb1 Pt2\n1.0\n-5.051881 5.462018 7.723880\n5.051881 -5.462018 7.723880\n5.051881 5.462018 -7.723880\nLi Sb Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Sb\n0.000000 0.263312 0.263312 Pt\n0.000000 0.736688 0.736688 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sb",
"Pt"
],
"chemical_system": "Li-Pt-Sb",
"density": 1.0106599912196008,
"density_atomic": 0.0046920025900395726,
"volume": 852.5144484130099,
"volume_molar": 128.3490502069226,
"formula_full": "Li1 Sb1 Pt2",
"formula_reduced": "LiSbPt2",
"formula_anonymous": "ABC2",
"energy": -12.06202018,
"energy_per_atom": -3.015505045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.06202018,
"band_gap": 0.5508000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.51e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.442000Z",
"spacegroup": 71
},
{
"id": "mp-1093629",
"created_at": "2022-09-04T14:47:59.727004Z",
"structure_string": "Mn1 Al2 Fe1\n1.0\n-5.021962 5.505678 7.706126\n5.021962 -5.505678 7.706126\n5.021962 5.505678 -7.706126\nMn Al Fe\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.257158 0.257158 Al\n0.000000 0.742842 0.742842 Al\n0.000000 0.500000 0.500000 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Mn",
"density": 0.3209844333555849,
"density_atomic": 0.004693314572242307,
"volume": 852.2761341541475,
"volume_molar": 128.31317115662299,
"formula_full": "Mn1 Al2 Fe1",
"formula_reduced": "MnAl2Fe",
"formula_anonymous": "ABC2",
"energy": -15.62109825,
"energy_per_atom": -3.9052745625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.62109825,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.3333334,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.148000Z",
"spacegroup": 71
},
{
"id": "mp-1093574",
"created_at": "2022-09-04T14:43:05.145503Z",
"structure_string": "Hf2 Ti1 Ir1\n1.0\n-4.800499 5.541188 8.006689\n4.800499 -5.541188 8.006689\n4.800499 5.541188 -8.006689\nHf Ti Ir\n2 1 1\ndirect\n0.000000 0.254735 0.254735 Hf\n0.000000 0.745265 0.745265 Hf\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Ti",
"Ir"
],
"chemical_system": "Hf-Ir-Ti",
"density": 1.1637716247664815,
"density_atomic": 0.004695239732597916,
"volume": 851.9266805971515,
"volume_molar": 128.2605596938902,
"formula_full": "Hf2 Ti1 Ir1",
"formula_reduced": "Hf2TiIr",
"formula_anonymous": "ABC2",
"energy": -22.83341011,
"energy_per_atom": -5.7083525275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.83341011,
"band_gap": 0.0501,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000177,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.455000Z",
"spacegroup": 71
}
]
}