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=-energy&page=64",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=62",
"results": [
{
"id": "mp-1095730",
"created_at": "2022-09-04T14:39:58.996071Z",
"structure_string": "Tl2 Cd1 In1\n1.0\n-6.038936 6.254932 8.846123\n6.038936 -6.254932 8.846123\n6.038936 6.254932 -8.846123\nTl Cd In\n2 1 1\ndirect\n0.000000 0.255709 0.255709 Tl\n0.000000 0.744291 0.744291 Tl\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Cd",
"In"
],
"chemical_system": "Cd-In-Tl",
"density": 0.7901457779772807,
"density_atomic": 0.0029927056712614262,
"volume": 1336.583158982687,
"volume_molar": 201.22729802098,
"formula_full": "Tl2 Cd1 In1",
"formula_reduced": "Tl2CdIn",
"formula_anonymous": "ABC2",
"energy": -4.63551041,
"energy_per_atom": -1.1588776025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.63551041,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.7206687,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.187000Z",
"spacegroup": 71
},
{
"id": "mp-1096468",
"created_at": "2022-09-04T14:42:20.324862Z",
"structure_string": "Li1 Zn2 Cu1\n1.0\n-4.662553 5.057437 6.532385\n4.662553 -5.057437 6.532385\n4.662553 5.057437 -6.532385\nLi Zn Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.741262 0.000000 0.741262 Zn\n0.258738 0.000000 0.258738 Zn\n0.500000 0.000000 0.500000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zn",
"Cu"
],
"chemical_system": "Cu-Li-Zn",
"density": 0.5425223473906745,
"density_atomic": 0.0064919320286357845,
"volume": 616.1493962592459,
"volume_molar": 92.76345983655492,
"formula_full": "Li1 Zn2 Cu1",
"formula_reduced": "LiZn2Cu",
"formula_anonymous": "ABC2",
"energy": -4.63993638,
"energy_per_atom": -1.159984095,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.63993638,
"band_gap": 1.4406,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005932,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.350000Z",
"spacegroup": 71
},
{
"id": "mp-1096496",
"created_at": "2022-09-04T14:48:28.252718Z",
"structure_string": "Na1 Zn2 Au1\n1.0\n-5.457809 5.861990 8.271718\n5.457809 -5.861990 8.271718\n5.457809 5.861990 -8.271718\nNa Zn Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.266889 0.266889 Zn\n0.000000 0.733111 0.733111 Zn\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Zn",
"Au"
],
"chemical_system": "Au-Na-Zn",
"density": 0.5502471398185703,
"density_atomic": 0.0037786866008138634,
"volume": 1058.5688686482943,
"volume_molar": 159.37126827884947,
"formula_full": "Na1 Zn2 Au1",
"formula_reduced": "NaZn2Au",
"formula_anonymous": "ABC2",
"energy": -4.6406024,
"energy_per_atom": -1.1601506,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.6406024,
"band_gap": 1.2132,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.11e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:17.812000Z",
"spacegroup": 71
},
{
"id": "mp-976292",
"created_at": "2022-09-04T14:44:41.939698Z",
"structure_string": "Na1 Cu1\n1.0\n1.418297 -2.456563 0.000000\n1.418297 2.456563 0.000000\n0.000000 0.000000 4.960376\nNa Cu\n1 1\ndirect\n0.666667 0.333333 0.000000 Na\n0.000000 0.000000 0.500000 Cu\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"Cu"
],
"chemical_system": "Cu-Na",
"density": 4.157239761567835,
"density_atomic": 0.05786158309837369,
"volume": 34.565248527674896,
"volume_molar": 10.40783960190205,
"formula_full": "Na1 Cu1",
"formula_reduced": "NaCu",
"formula_anonymous": "AB",
"energy": -4.64179812,
"energy_per_atom": -2.32089906,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.64179812,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.526000Z",
"spacegroup": 187
},
{
"id": "mp-63",
"created_at": "2022-09-04T14:39:15.625470Z",
"structure_string": "Pr1\n1.0\n-2.087273 2.087273 2.087273\n2.087273 -2.087273 2.087273\n2.087273 2.087273 -2.087273\nPr\n1\ndirect\n0.000000 0.000000 0.000000 Pr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pr"
],
"chemical_system": "Pr",
"density": 6.4325906061659195,
"density_atomic": 0.027491740934698652,
"volume": 36.374560722629674,
"volume_molar": 21.90527247548432,
"formula_full": "Pr1",
"formula_reduced": "Pr",
"formula_anonymous": "A",
"energy": -4.64528909,
"energy_per_atom": -4.64528909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.64528909,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5812416,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.023000Z",
"spacegroup": 229
},
{
"id": "mp-1093904",
"created_at": "2022-09-04T14:39:11.015889Z",
"structure_string": "Rb1 Na2 Bi1\n1.0\n-6.919010 7.225098 10.180580\n6.919010 -7.225098 10.180580\n6.919010 7.225098 -10.180580\nRb Na Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.276311 0.276311 Na\n0.000000 0.723689 0.723689 Na\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Na",
"Bi"
],
"chemical_system": "Bi-Na-Rb",
"density": 0.27768589762394347,
"density_atomic": 0.001964896950183748,
"volume": 2035.730168763272,
"volume_molar": 306.4863406417745,
"formula_full": "Rb1 Na2 Bi1",
"formula_reduced": "RbNa2Bi",
"formula_anonymous": "ABC2",
"energy": -4.64684941,
"energy_per_atom": -1.1617123525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.64684941,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0022979,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.386000Z",
"spacegroup": 71
},
{
"id": "mp-1095934",
"created_at": "2022-09-04T14:42:06.517645Z",
"structure_string": "Ba2 Zn1 Au1\n1.0\n-6.346188 6.643510 9.407967\n6.346188 -6.643510 9.407967\n6.346188 6.643510 -9.407967\nBa Zn Au\n2 1 1\ndirect\n0.000000 0.255638 0.255638 Ba\n0.000000 0.744362 0.744362 Ba\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Au"
],
"chemical_system": "Au-Ba-Zn",
"density": 0.5620578178165135,
"density_atomic": 0.0025211209890151818,
"volume": 1586.59581092239,
"volume_molar": 238.86758256502443,
"formula_full": "Ba2 Zn1 Au1",
"formula_reduced": "Ba2ZnAu",
"formula_anonymous": "ABC2",
"energy": -4.65063535,
"energy_per_atom": -1.1626588375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.65063535,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.0352582,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.175000Z",
"spacegroup": 71
},
{
"id": "mp-1068966",
"created_at": "2022-09-04T14:47:13.169073Z",
"structure_string": "K5\n1.0\n4.459769 -6.503227 0.000000\n4.459769 6.503227 0.000000\n0.000000 0.000000 8.659120\nK\n5\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.747291 K\n0.500000 0.000000 0.747291 K\n0.500000 0.000000 0.252709 K\n0.000000 0.500000 0.252709 K\n",
"nsites": 5,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.6462967090133793,
"density_atomic": 0.009954626558567391,
"volume": 502.2790127367238,
"volume_molar": 60.49589830988767,
"formula_full": "K5",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -4.65632006,
"energy_per_atom": -0.931264012,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.65632006,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038517,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:58.808000Z",
"spacegroup": 65
},
{
"id": "mp-1002227",
"created_at": "2022-09-04T14:42:56.932351Z",
"structure_string": "Rb1 Sb1\n1.0\n0.000000 3.798500 3.798500\n3.798500 0.000000 3.798500\n3.798500 3.798500 0.000000\nRb Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"Sb"
],
"chemical_system": "Rb-Sb",
"density": 3.1392848631566546,
"density_atomic": 0.018245829312669392,
"volume": 109.61409129325001,
"volume_molar": 33.0055743523721,
"formula_full": "Rb1 Sb1",
"formula_reduced": "RbSb",
"formula_anonymous": "AB",
"energy": -4.65710535,
"energy_per_atom": -2.328552675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.46510535,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9988714,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.840000Z",
"spacegroup": 225
},
{
"id": "mp-1232419",
"created_at": "2022-09-04T14:42:16.581585Z",
"structure_string": "Cs3 Ac1\n1.0\n0.000000 5.484541 5.484541\n5.484541 0.000000 5.484541\n5.484541 5.484541 0.000000\nCs Ac\n3 1\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Ac\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"Ac"
],
"chemical_system": "Ac-Cs",
"density": 3.149022376973841,
"density_atomic": 0.01212297287378052,
"volume": 329.95207047366836,
"volume_molar": 49.67544531114677,
"formula_full": "Cs3 Ac1",
"formula_reduced": "Cs3Ac",
"formula_anonymous": "AB3",
"energy": -4.66368375,
"energy_per_atom": -1.1659209375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.66368375,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0033589,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.412000Z",
"spacegroup": 225
},
{
"id": "mp-1093760",
"created_at": "2022-09-04T14:42:16.047472Z",
"structure_string": "K2 Rb1 Bi1\n1.0\n-7.562770 7.746729 10.539607\n7.562770 -7.746729 10.539607\n7.562770 7.746729 -10.539607\nK Rb Bi\n2 1 1\ndirect\n0.722165 0.000000 0.722165 K\n0.277835 0.000000 0.277835 K\n0.000000 0.000000 0.000000 Rb\n0.500000 0.000000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Rb",
"Bi"
],
"chemical_system": "Bi-K-Rb",
"density": 0.25053043814488385,
"density_atomic": 0.0016194827500014474,
"volume": 2469.9244249414974,
"volume_molar": 371.8558138389938,
"formula_full": "K2 Rb1 Bi1",
"formula_reduced": "K2RbBi",
"formula_anonymous": "ABC2",
"energy": -4.66687083,
"energy_per_atom": -1.1667177075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.66687083,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9779591,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.162000Z",
"spacegroup": 71
},
{
"id": "mp-1093949",
"created_at": "2022-09-04T14:43:01.651179Z",
"structure_string": "Ba2 Tl1 Ag1\n1.0\n-6.535605 7.203527 10.191483\n6.535605 -7.203527 10.191483\n6.535605 7.203527 -10.191483\nBa Tl Ag\n2 1 1\ndirect\n0.000000 0.245613 0.245613 Ba\n0.000000 0.754387 0.754387 Ba\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Ag"
],
"chemical_system": "Ag-Ba-Tl",
"density": 0.5077955801604653,
"density_atomic": 0.002084162756756562,
"volume": 1919.2359075761062,
"volume_molar": 288.94771967674154,
"formula_full": "Ba2 Tl1 Ag1",
"formula_reduced": "Ba2TlAg",
"formula_anonymous": "ABC2",
"energy": -4.67148802,
"energy_per_atom": -1.167872005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.67148802,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.637000Z",
"spacegroup": 71
}
]
}