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=98",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=96",
"results": [
{
"id": "mp-1097406",
"created_at": "2022-09-04T14:43:22.739410Z",
"structure_string": "Sc2 Cd1 Pt1\n1.0\n-5.451780 6.132610 8.354619\n5.451780 -6.132610 8.354619\n5.451780 6.132610 -8.354619\nSc Cd Pt\n2 1 1\ndirect\n0.000000 0.283896 0.283896 Sc\n0.000000 0.716104 0.716104 Sc\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cd",
"Pt"
],
"chemical_system": "Cd-Pt-Sc",
"density": 0.5906281038201483,
"density_atomic": 0.003580054860100738,
"volume": 1117.301314172444,
"volume_molar": 168.21364463198603,
"formula_full": "Sc2 Cd1 Pt1",
"formula_reduced": "Sc2CdPt",
"formula_anonymous": "ABC2",
"energy": -13.12318263,
"energy_per_atom": -3.2807956575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.12318263,
"band_gap": 0.0765000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999952,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.939000Z",
"spacegroup": 71
},
{
"id": "mp-1093711",
"created_at": "2022-09-04T14:43:10.498285Z",
"structure_string": "Be1 Si1 Tc2\n1.0\n-4.583539 5.028227 7.107348\n4.583539 -5.028227 7.107348\n4.583539 5.028227 -7.107348\nBe Si Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Si\n0.000000 0.252047 0.252047 Tc\n0.000000 0.747953 0.747953 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Si",
"Tc"
],
"chemical_system": "Be-Si-Tc",
"density": 0.5907499229788242,
"density_atomic": 0.006104872705455838,
"volume": 655.2143169873561,
"volume_molar": 98.64482112162796,
"formula_full": "Be1 Si1 Tc2",
"formula_reduced": "BeSiTc2",
"formula_anonymous": "ABC2",
"energy": -17.17286974,
"energy_per_atom": -4.293217435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.17286974,
"band_gap": 0.262,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9998454,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.542000Z",
"spacegroup": 71
},
{
"id": "mp-1093858",
"created_at": "2022-09-04T14:42:48.924202Z",
"structure_string": "Nb2 V1 Tc1\n1.0\n-4.547519 6.047666 8.547593\n4.547519 -6.047666 8.547593\n4.547519 6.047666 -8.547593\nNb V Tc\n2 1 1\ndirect\n0.000000 0.257997 0.257997 Nb\n0.000000 0.742003 0.742003 Nb\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"V",
"Tc"
],
"chemical_system": "Nb-Tc-V",
"density": 0.5911654763167578,
"density_atomic": 0.0042539643403638845,
"volume": 940.2993725278477,
"volume_molar": 141.5653794475594,
"formula_full": "Nb2 V1 Tc1",
"formula_reduced": "Nb2VTc",
"formula_anonymous": "ABC2",
"energy": -23.20456072,
"energy_per_atom": -5.80114018,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.20456072,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.032445,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.341000Z",
"spacegroup": 71
},
{
"id": "mp-1093838",
"created_at": "2022-09-04T14:46:32.080072Z",
"structure_string": "La2 Ga1 Ir1\n1.0\n-5.399111 7.282420 9.639912\n5.399111 -7.282420 9.639912\n5.399111 7.282420 -9.639912\nLa Ga Ir\n2 1 1\ndirect\n0.000000 0.271820 0.271820 La\n0.000000 0.728180 0.728180 La\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Ga",
"Ir"
],
"chemical_system": "Ga-Ir-La",
"density": 0.5911687457648696,
"density_atomic": 0.002638329004958467,
"volume": 1516.1111417425245,
"volume_molar": 228.25586758444484,
"formula_full": "La2 Ga1 Ir1",
"formula_reduced": "La2GaIr",
"formula_anonymous": "ABC2",
"energy": -15.74211734,
"energy_per_atom": -3.935529335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.74211734,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.6343386,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.653000Z",
"spacegroup": 71
},
{
"id": "mp-1097668",
"created_at": "2022-09-04T14:39:11.044563Z",
"structure_string": "Li1 Ag2 Sb1\n1.0\n-5.334480 5.659598 8.004992\n5.334480 -5.659598 8.004992\n5.334480 5.659598 -8.004992\nLi Ag Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.247229 0.247229 Ag\n0.000000 0.752771 0.752771 Ag\n0.000000 0.500000 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ag",
"Sb"
],
"chemical_system": "Ag-Li-Sb",
"density": 0.5916444985216064,
"density_atomic": 0.004137723082578152,
"volume": 966.7152489836659,
"volume_molar": 145.54238260545208,
"formula_full": "Li1 Ag2 Sb1",
"formula_reduced": "LiAg2Sb",
"formula_anonymous": "ABC2",
"energy": -7.04148257,
"energy_per_atom": -1.7603706425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.84948257,
"band_gap": 0.3167,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999483,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.287000Z",
"spacegroup": 71
},
{
"id": "mp-1097536",
"created_at": "2022-09-04T14:40:53.157644Z",
"structure_string": "Na1 In1 Pd2\n1.0\n-5.297331 5.729677 8.104755\n5.297331 -5.729677 8.104755\n5.297331 5.729677 -8.104755\nNa In Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 In\n0.000000 0.262077 0.262077 Pd\n0.000000 0.737923 0.737923 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"In",
"Pd"
],
"chemical_system": "In-Na-Pd",
"density": 0.5917428853642931,
"density_atomic": 0.0040651152099909415,
"volume": 983.9819521397803,
"volume_molar": 148.14194552713352,
"formula_full": "Na1 In1 Pd2",
"formula_reduced": "NaInPd2",
"formula_anonymous": "ABC2",
"energy": -9.63946396,
"energy_per_atom": -2.40986599,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.63946396,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9674769,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.903000Z",
"spacegroup": 71
},
{
"id": "mp-1097529",
"created_at": "2022-09-04T14:39:45.302657Z",
"structure_string": "Ba1 Tl2 Pb1\n1.0\n-7.163545 7.285220 10.126182\n7.163545 -7.285220 10.126182\n7.163545 7.285220 -10.126182\nBa Tl Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.285412 0.000000 0.285412 Tl\n0.714588 0.000000 0.714588 Tl\n0.500000 0.000000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Pb"
],
"chemical_system": "Ba-Pb-Tl",
"density": 0.5917482611767797,
"density_atomic": 0.0018922721895013107,
"volume": 2113.86079771862,
"volume_molar": 318.2491817726854,
"formula_full": "Ba1 Tl2 Pb1",
"formula_reduced": "BaTl2Pb",
"formula_anonymous": "ABC2",
"energy": -5.73006501,
"energy_per_atom": -1.4325162525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.73006501,
"band_gap": 0.0743,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001192,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.812000Z",
"spacegroup": 71
},
{
"id": "mp-1096663",
"created_at": "2022-09-04T14:40:57.619284Z",
"structure_string": "Zr1 Al1 Tc2\n1.0\n-4.844429 5.665128 8.014959\n4.844429 -5.665128 8.014959\n4.844429 5.665128 -8.014959\nZr Al Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Al\n0.000000 0.259005 0.259005 Tc\n0.000000 0.740995 0.740995 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Tc"
],
"chemical_system": "Al-Tc-Zr",
"density": 0.5929926563563411,
"density_atomic": 0.004546177337764198,
"volume": 879.8600896565977,
"volume_molar": 132.4660327254563,
"formula_full": "Zr1 Al1 Tc2",
"formula_reduced": "ZrAlTc2",
"formula_anonymous": "ABC2",
"energy": -20.0652997,
"energy_per_atom": -5.016324925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.0652997,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9842678,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.268000Z",
"spacegroup": 71
},
{
"id": "mp-1093740",
"created_at": "2022-09-04T14:42:46.978296Z",
"structure_string": "Sc1 V1 Tc2\n1.0\n-4.632045 5.706159 7.728104\n4.632045 -5.706159 7.728104\n4.632045 5.706159 -7.728104\nSc V Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 V\n0.000000 0.267525 0.267525 Tc\n0.000000 0.732475 0.732475 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"V",
"Tc"
],
"chemical_system": "Sc-Tc-V",
"density": 0.5932390816018063,
"density_atomic": 0.004895650469109067,
"volume": 817.0517942895417,
"volume_molar": 123.01002283555461,
"formula_full": "Sc1 V1 Tc2",
"formula_reduced": "ScVTc2",
"formula_anonymous": "ABC2",
"energy": -22.78325217,
"energy_per_atom": -5.6958130425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.78325217,
"band_gap": 0.0308999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0002256,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.897000Z",
"spacegroup": 71
},
{
"id": "mp-1096460",
"created_at": "2022-09-04T14:43:52.244272Z",
"structure_string": "Sc2 Tc1 Ru1\n1.0\n-4.539932 5.621265 7.918590\n4.539932 -5.621265 7.918590\n4.539932 5.621265 -7.918590\nSc Tc Ru\n2 1 1\ndirect\n0.000000 0.258485 0.258485 Sc\n0.000000 0.741515 0.741515 Sc\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Tc",
"Ru"
],
"chemical_system": "Ru-Sc-Tc",
"density": 0.593647125870032,
"density_atomic": 0.004948444861354635,
"volume": 808.33476214687,
"volume_molar": 121.69764297123928,
"formula_full": "Sc2 Tc1 Ru1",
"formula_reduced": "Sc2TcRu",
"formula_anonymous": "ABC2",
"energy": -20.93055754,
"energy_per_atom": -5.232639385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.93055754,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.2401038,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.108000Z",
"spacegroup": 71
},
{
"id": "mp-1096398",
"created_at": "2022-09-04T14:41:25.292279Z",
"structure_string": "Zr2 Fe1 Co1\n1.0\n-4.244825 5.886921 8.316348\n4.244825 -5.886921 8.316348\n4.244825 5.886921 -8.316348\nZr Fe Co\n2 1 1\ndirect\n0.000000 0.245658 0.245658 Zr\n0.000000 0.754342 0.754342 Zr\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"Co"
],
"chemical_system": "Co-Fe-Zr",
"density": 0.5937389436932989,
"density_atomic": 0.004811930516219008,
"volume": 831.2671985843666,
"volume_molar": 125.15020197614824,
"formula_full": "Zr2 Fe1 Co1",
"formula_reduced": "Zr2FeCo",
"formula_anonymous": "ABC2",
"energy": -20.015185,
"energy_per_atom": -5.00379625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.015185,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0169478,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.703000Z",
"spacegroup": 71
},
{
"id": "mp-1096256",
"created_at": "2022-09-04T14:41:48.378271Z",
"structure_string": "Sc2 Pd1 Rh1\n1.0\n-4.716303 5.599654 7.919165\n4.716303 -5.599654 7.919165\n4.716303 5.599654 -7.919165\nSc Pd Rh\n2 1 1\ndirect\n0.000000 0.240741 0.240741 Sc\n0.000000 0.759259 0.759259 Sc\n0.000000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Pd",
"Rh"
],
"chemical_system": "Pd-Rh-Sc",
"density": 0.593967366719689,
"density_atomic": 0.0047814290579187586,
"volume": 836.5699776252885,
"volume_molar": 125.94855402123845,
"formula_full": "Sc2 Pd1 Rh1",
"formula_reduced": "Sc2PdRh",
"formula_anonymous": "ABC2",
"energy": -18.66177724,
"energy_per_atom": -4.66544431,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.66177724,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9998656,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.703000Z",
"spacegroup": 71
}
]
}