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=12146",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=12144",
"results": [
{
"id": "mp-1097552",
"created_at": "2022-09-04T14:39:15.345317Z",
"structure_string": "La1 Sc1 Tl2\n1.0\n-5.953282 6.278715 9.014727\n5.953282 -6.278715 9.014727\n5.953282 6.278715 -9.014727\nLa Sc Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Sc\n0.000000 0.243005 0.243005 Tl\n0.000000 0.756995 0.756995 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Sc",
"Tl"
],
"chemical_system": "La-Sc-Tl",
"density": 0.7301153098182152,
"density_atomic": 0.0029677013585738938,
"volume": 1347.844515568834,
"volume_molar": 202.9227348837382,
"formula_full": "La1 Sc1 Tl2",
"formula_reduced": "LaScTl2",
"formula_anonymous": "ABC2",
"energy": -8.68382011,
"energy_per_atom": -2.1709550275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.68382011,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0573469,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.152000Z",
"spacegroup": 71
},
{
"id": "mp-1096680",
"created_at": "2022-09-04T14:40:42.367484Z",
"structure_string": "Li1 Ca1 Hg2\n1.0\n-6.141254 6.237536 8.802758\n6.141254 -6.237536 8.802758\n6.141254 6.237536 -8.802758\nLi Ca Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ca\n0.000000 0.225422 0.225422 Hg\n0.000000 0.774578 0.774578 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ca",
"Hg"
],
"chemical_system": "Ca-Hg-Li",
"density": 0.5517865389777867,
"density_atomic": 0.002965590024382735,
"volume": 1348.8041054604537,
"volume_molar": 203.06720451871843,
"formula_full": "Li1 Ca1 Hg2",
"formula_reduced": "LiCaHg2",
"formula_anonymous": "ABC2",
"energy": -1.94900028,
"energy_per_atom": -0.48725007,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.94900028,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0777545,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.713000Z",
"spacegroup": 71
},
{
"id": "mp-1096599",
"created_at": "2022-09-04T14:41:15.920361Z",
"structure_string": "Na1 Cd2 In1\n1.0\n-5.977618 6.294192 8.963605\n5.977618 -6.294192 8.963605\n5.977618 6.294192 -8.963605\nNa Cd In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.252715 0.252715 Cd\n0.000000 0.747285 0.747285 Cd\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Cd",
"In"
],
"chemical_system": "Cd-In-Na",
"density": 0.446376893027602,
"density_atomic": 0.002965166911795407,
"volume": 1348.9965721956617,
"volume_molar": 203.09618106299442,
"formula_full": "Na1 Cd2 In1",
"formula_reduced": "NaCd2In",
"formula_anonymous": "ABC2",
"energy": -2.65177555,
"energy_per_atom": -0.6629438875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.65177555,
"band_gap": 0.0056000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0487441,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.247000Z",
"spacegroup": 71
},
{
"id": "mp-1097509",
"created_at": "2022-09-04T14:39:41.322971Z",
"structure_string": "Zr1 Sc1 Cd2\n1.0\n-5.984689 6.123115 9.205433\n5.984689 -6.123115 9.205433\n5.984689 6.123115 -9.205433\nZr Sc Cd\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Sc\n0.251314 0.000000 0.251314 Cd\n0.748686 0.000000 0.748686 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Sc",
"Cd"
],
"chemical_system": "Cd-Sc-Zr",
"density": 0.44426324440108583,
"density_atomic": 0.0029644339315324044,
"volume": 1349.330122507497,
"volume_molar": 203.14639823620476,
"formula_full": "Zr1 Sc1 Cd2",
"formula_reduced": "ZrScCd2",
"formula_anonymous": "ABC2",
"energy": -7.12596658,
"energy_per_atom": -1.781491645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.12596658,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.3557411,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.720000Z",
"spacegroup": 71
},
{
"id": "mp-1096507",
"created_at": "2022-09-04T14:42:16.297035Z",
"structure_string": "Na1 Mg2 Hg1\n1.0\n-6.173545 6.218051 8.787708\n6.173545 -6.218051 8.787708\n6.173545 6.218051 -8.787708\nNa Mg Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.257820 0.257820 Mg\n0.000000 0.742180 0.742180 Mg\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg-Na",
"density": 0.334962653317965,
"density_atomic": 0.0029643909889146363,
"volume": 1349.349669108438,
"volume_molar": 203.14934104576096,
"formula_full": "Na1 Mg2 Hg1",
"formula_reduced": "NaMg2Hg",
"formula_anonymous": "ABC2",
"energy": -1.55699565,
"energy_per_atom": -0.3892489125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.55699565,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0065122,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.295000Z",
"spacegroup": 71
},
{
"id": "mp-1095803",
"created_at": "2022-09-04T14:41:31.031824Z",
"structure_string": "Y2 In1 Pd1\n1.0\n-5.643129 6.513628 9.187108\n5.643129 -6.513628 9.187108\n5.643129 6.513628 -9.187108\nY In Pd\n2 1 1\ndirect\n0.000000 0.227922 0.227922 Y\n0.000000 0.772078 0.772078 Y\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"In",
"Pd"
],
"chemical_system": "In-Pd-Y",
"density": 0.4905624959554835,
"density_atomic": 0.0029612716443508397,
"volume": 1350.7710471718196,
"volume_molar": 203.36333451503248,
"formula_full": "Y2 In1 Pd1",
"formula_reduced": "Y2InPd",
"formula_anonymous": "ABC2",
"energy": -13.57897281,
"energy_per_atom": -3.3947432025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.57897281,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9999745,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.838000Z",
"spacegroup": 71
},
{
"id": "mp-1096478",
"created_at": "2022-09-04T14:47:30.326282Z",
"structure_string": "Ca1 Sc1 Hg2\n1.0\n-6.114135 6.224303 8.874188\n6.114135 -6.224303 8.874188\n6.114135 6.224303 -8.874188\nCa Sc Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Sc\n0.000000 0.258701 0.258701 Hg\n0.000000 0.741299 0.741299 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Sc",
"Hg"
],
"chemical_system": "Ca-Hg-Sc",
"density": 0.597670902094675,
"density_atomic": 0.002961049211454187,
"volume": 1350.8725165819108,
"volume_molar": 203.37861109179252,
"formula_full": "Ca1 Sc1 Hg2",
"formula_reduced": "CaScHg2",
"formula_anonymous": "ABC2",
"energy": -4.00663749,
"energy_per_atom": -1.0016593725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.00663749,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.593549,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.902000Z",
"spacegroup": 71
},
{
"id": "mp-1097562",
"created_at": "2022-09-04T14:48:28.274140Z",
"structure_string": "Ca1 Hg2 Pb1\n1.0\n-6.030871 6.304210 8.885748\n6.030871 -6.304210 8.885748\n6.030871 6.304210 -8.885748\nCa Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.256100 0.256100 Hg\n0.000000 0.743900 0.743900 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Hg",
"Pb"
],
"chemical_system": "Ca-Hg-Pb",
"density": 0.7968310623763107,
"density_atomic": 0.002960024440274489,
"volume": 1351.3401935387642,
"volume_molar": 203.449021503402,
"formula_full": "Ca1 Hg2 Pb1",
"formula_reduced": "CaHg2Pb",
"formula_anonymous": "ABC2",
"energy": -2.92022167,
"energy_per_atom": -0.7300554175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.92022167,
"band_gap": 0.2955000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9995681,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:15.845000Z",
"spacegroup": 71
},
{
"id": "mp-1093811",
"created_at": "2022-09-04T14:47:26.063284Z",
"structure_string": "Y2 Cd1 Au1\n1.0\n-5.952070 6.344301 8.952714\n5.952070 -6.344301 8.952714\n5.952070 6.344301 -8.952714\nY Cd Au\n2 1 1\ndirect\n0.000000 0.272604 0.272604 Y\n0.000000 0.727396 0.727396 Y\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Y",
"density": 0.5982466830498043,
"density_atomic": 0.00295796805473074,
"volume": 1352.2796480518837,
"volume_molar": 203.59045968629258,
"formula_full": "Y2 Cd1 Au1",
"formula_reduced": "Y2CdAu",
"formula_anonymous": "ABC2",
"energy": -10.08892799,
"energy_per_atom": -2.5222319975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.08892799,
"band_gap": 0.2181000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9987324,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.577000Z",
"spacegroup": 71
},
{
"id": "mp-1093905",
"created_at": "2022-09-04T14:43:53.576778Z",
"structure_string": "Li1 La2 Tl1\n1.0\n-6.004615 6.312828 8.919870\n6.004615 -6.312828 8.919870\n6.004615 6.312828 -8.919870\nLi La Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.256999 0.256999 La\n0.000000 0.743001 0.743001 La\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"La",
"Tl"
],
"chemical_system": "La-Li-Tl",
"density": 0.6005517137948675,
"density_atomic": 0.002957551744079407,
"volume": 1352.4699975266449,
"volume_molar": 203.61911746955766,
"formula_full": "Li1 La2 Tl1",
"formula_reduced": "LiLa2Tl",
"formula_anonymous": "ABC2",
"energy": -5.83802725,
"energy_per_atom": -1.4595068125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.83802725,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1818121,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.141000Z",
"spacegroup": 71
},
{
"id": "mp-1096197",
"created_at": "2022-09-04T14:45:59.071454Z",
"structure_string": "Ti2 Nb1 Mo1\n1.0\n-4.501337 7.174377 10.480420\n4.501337 -7.174377 10.480420\n4.501337 7.174377 -10.480420\nTi Nb Mo\n2 1 1\ndirect\n0.000000 0.251461 0.251461 Ti\n0.000000 0.748539 0.748539 Ti\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Nb",
"Mo"
],
"chemical_system": "Mo-Nb-Ti",
"density": 0.3490516145832397,
"density_atomic": 0.0029545788873455822,
"volume": 1353.8308342796129,
"volume_molar": 203.82399623150155,
"formula_full": "Ti2 Nb1 Mo1",
"formula_reduced": "Ti2NbMo",
"formula_anonymous": "ABC2",
"energy": -20.79117674,
"energy_per_atom": -5.197794185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.79117674,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0032468,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.364000Z",
"spacegroup": 71
},
{
"id": "mp-1096719",
"created_at": "2022-09-04T14:39:32.450449Z",
"structure_string": "Zr1 Sc1 Tl2\n1.0\n-5.874359 6.313516 9.126803\n5.874359 -6.313516 9.126803\n5.874359 6.313516 -9.126803\nZr Sc Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sc\n0.000000 0.249291 0.249291 Tl\n0.000000 0.750709 0.750709 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Sc",
"Tl"
],
"chemical_system": "Sc-Tl-Zr",
"density": 0.6683324332583988,
"density_atomic": 0.0029542657125558518,
"volume": 1353.9743507158814,
"volume_molar": 203.84560313601614,
"formula_full": "Zr1 Sc1 Tl2",
"formula_reduced": "ZrScTl2",
"formula_anonymous": "ABC2",
"energy": -10.43292936,
"energy_per_atom": -2.60823234,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.43292936,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.2388317,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.936000Z",
"spacegroup": 71
}
]
}