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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=12175",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=12173",
"results": [
{
"id": "mp-1183661",
"created_at": "2022-09-04T14:42:22.389369Z",
"structure_string": "Cd6 Hg2\n1.0\n3.201539 -5.545229 0.000000\n3.201539 5.545229 0.000000\n0.000000 0.000000 5.197813\nCd Hg\n6 2\ndirect\n0.166729 0.333459 0.250000 Cd\n0.666541 0.833271 0.250000 Cd\n0.166729 0.833271 0.250000 Cd\n0.833271 0.666541 0.750000 Cd\n0.333459 0.166729 0.750000 Cd\n0.833271 0.166729 0.750000 Cd\n0.333333 0.666667 0.750000 Hg\n0.666667 0.333333 0.250000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg",
"density": 9.678087292458288,
"density_atomic": 0.04334720083216404,
"volume": 184.55632304782927,
"volume_molar": 13.892801944275751,
"formula_full": "Cd6 Hg2",
"formula_reduced": "Cd3Hg",
"formula_anonymous": "AB3",
"energy": -5.98054278,
"energy_per_atom": -0.7475678475,
"energy_above_hull": null,
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"energy_uncorrected": -5.98054278,
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"updated_at": "2021-11-28T01:35:45.024000Z",
"spacegroup": 194
},
{
"id": "mp-1186142",
"created_at": "2022-09-04T14:40:20.953692Z",
"structure_string": "Na1 Hg3\n1.0\n0.000000 3.740925 3.740925\n3.740925 0.000000 3.740925\n3.740925 3.740925 0.000000\nNa Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Hg"
],
"chemical_system": "Hg-Na",
"density": 9.9082088819418,
"density_atomic": 0.03820260619912875,
"volume": 104.7048983818079,
"volume_molar": 15.763690907918585,
"formula_full": "Na1 Hg3",
"formula_reduced": "NaHg3",
"formula_anonymous": "AB3",
"energy": -2.98010689,
"energy_per_atom": -0.7450267225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.98010689,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037509,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.798000Z",
"spacegroup": 225
},
{
"id": "mp-1186137",
"created_at": "2022-09-04T14:43:07.005238Z",
"structure_string": "Na1 Hg3\n1.0\n4.751194 0.000000 0.000000\n0.000000 4.751194 0.000000\n0.000000 0.000000 4.751194\nNa Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Hg"
],
"chemical_system": "Hg-Na",
"density": 9.672836831635895,
"density_atomic": 0.03729509346345096,
"volume": 107.2527141920152,
"volume_molar": 16.147273543909133,
"formula_full": "Na1 Hg3",
"formula_reduced": "NaHg3",
"formula_anonymous": "AB3",
"energy": -2.97055665,
"energy_per_atom": -0.7426391625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.97055665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00094,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.803000Z",
"spacegroup": 221
},
{
"id": "mp-1095958",
"created_at": "2022-09-04T14:47:06.586669Z",
"structure_string": "Ca1 Sn1 Hg2\n1.0\n-5.966625 6.393292 9.022291\n5.966625 -6.393292 9.022291\n5.966625 6.393292 -9.022291\nCa Sn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Sn\n0.000000 0.259646 0.259646 Hg\n0.000000 0.740354 0.740354 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"Hg"
],
"chemical_system": "Ca-Hg-Sn",
"density": 0.6754328847773211,
"density_atomic": 0.002905560251634056,
"volume": 1376.6708151209195,
"volume_molar": 207.26263572105285,
"formula_full": "Ca1 Sn1 Hg2",
"formula_reduced": "CaSnHg2",
"formula_anonymous": "ABC2",
"energy": -2.96923094,
"energy_per_atom": -0.742307735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.96923094,
"band_gap": 0.0926,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.51e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.943000Z",
"spacegroup": 71
},
{
"id": "mp-1096751",
"created_at": "2022-09-04T14:42:12.959266Z",
"structure_string": "Ca2 In1 Hg1\n1.0\n-9.307240 9.307240 6.385406\n9.307240 -9.307240 6.385406\n9.307240 9.307240 -6.385406\nCa In Hg\n2 1 1\ndirect\n0.242795 0.242795 0.000000 Ca\n0.757205 0.757205 0.000000 Ca\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"In",
"Hg"
],
"chemical_system": "Ca-Hg-In",
"density": 0.29687629687682876,
"density_atomic": 0.0018078802405857432,
"volume": 2212.5359358449664,
"volume_molar": 333.1050710554179,
"formula_full": "Ca2 In1 Hg1",
"formula_reduced": "Ca2InHg",
"formula_anonymous": "ABC2",
"energy": -2.9216728,
"energy_per_atom": -0.7304182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.9216728,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5956939,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.837000Z",
"spacegroup": 139
},
{
"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-1225236",
"created_at": "2022-09-04T14:43:10.128845Z",
"structure_string": "Na4 Zn2 Sn10\n1.0\n18.732225 -0.000000 -0.000000\n-0.000000 18.660966 -0.000000\n9.366113 9.330484 32.641176\nNa Zn Sn\n4 2 10\ndirect\n0.406011 0.954778 0.789564 Na\n0.343989 0.994342 0.710436 Na\n0.804424 0.255658 0.789564 Na\n0.945576 0.295222 0.710436 Na\n0.749991 0.249991 0.500017 Zn\n0.000009 0.000009 0.999983 Zn\n0.266693 0.777340 0.130877 Sn\n0.483307 0.158217 0.369123 Sn\n0.602430 0.091783 0.130877 Sn\n0.147570 0.472660 0.369123 Sn\n0.222690 0.397538 0.869052 Sn\n0.527310 0.516590 0.630948 Sn\n0.908258 0.733410 0.869052 Sn\n0.841742 0.852462 0.630948 Sn\n0.249972 0.749972 0.500056 Sn\n0.500028 0.500028 -0.000056 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Zn",
"Sn"
],
"chemical_system": "Na-Sn-Zn",
"density": 0.2051828522081101,
"density_atomic": 0.0014022669499518154,
"volume": 11410.095631612647,
"volume_molar": 429.4575123664529,
"formula_full": "Na4 Zn2 Sn10",
"formula_reduced": "Na2ZnSn5",
"formula_anonymous": "AB2C5",
"energy": -11.66910873,
"energy_per_atom": -0.729319295625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.66910873,
"band_gap": 0.0011000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 17.2645744,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.281000Z",
"spacegroup": 24
},
{
"id": "mp-555777",
"created_at": "2022-09-04T14:46:23.218727Z",
"structure_string": "Zn4 Ga12 N12 O4\n1.0\n6.474090 0.000000 0.000000\n3.237274 5.606302 0.000000\n0.017620 0.003466 10.520684\nZn Ga N O\n4 12 12 4\ndirect\n0.338467 0.161622 0.254213 Zn\n0.678070 0.339339 0.004427 Zn\n0.167127 0.334215 0.505812 Zn\n0.838659 0.677892 0.756874 Zn\n0.826000 0.164576 0.247857 Ga\n0.335047 0.674464 0.249631 Ga\n0.835241 0.666725 0.249644 Ga\n0.669247 0.834549 0.999626 Ga\n0.160105 0.335595 0.999454 Ga\n0.659565 0.839154 0.499722 Ga\n0.324973 0.159515 0.747846 Ga\n0.661615 0.321382 0.497606 Ga\n0.336305 0.670717 0.749637 Ga\n0.834307 0.158658 0.748092 Ga\n0.160082 0.824471 0.998101 Ga\n0.179451 0.838284 0.497891 Ga\n0.677130 0.339526 0.313193 N\n0.160903 0.823430 0.313990 N\n0.837694 0.160869 0.063906 N\n0.826356 0.163203 0.563757 N\n0.336952 0.673584 0.563808 N\n0.337353 0.163090 0.563003 N\n0.176881 0.837576 0.814136 N\n0.666747 0.832689 0.313272 N\n0.837578 0.676804 0.063422 N\n0.334183 0.666651 0.063193 N\n0.167303 0.334330 0.812315 N\n0.660979 0.837306 0.814104 N\n0.832548 0.666587 0.553653 O\n0.161468 0.339668 0.302942 O\n0.660466 0.321842 0.804552 O\n0.321195 0.161687 0.054338 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Zn",
"Ga",
"N",
"O"
],
"chemical_system": "Ga-N-O-Zn",
"density": 5.785339796098253,
"density_atomic": 0.08380130484101266,
"volume": 381.8556293450348,
"volume_molar": 7.186213593481832,
"formula_full": "Zn4 Ga12 N12 O4",
"formula_reduced": "ZnGa3N3O",
"formula_anonymous": "ABC3D3",
"energy": -23.30607723,
"energy_per_atom": -0.7283149134375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.22607723,
"band_gap": 1.1263999999999998,
"is_gap_direct": true,
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"total_magnetization": 0.0014083,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.672000Z",
"spacegroup": 1
},
{
"id": "mp-1226878",
"created_at": "2022-09-04T14:44:58.594015Z",
"structure_string": "Cd3 Hg1\n1.0\n1.568479 -2.716685 0.000000\n1.568479 2.716685 0.000000\n0.000000 0.000000 11.233184\nCd Hg\n3 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.333333 0.666667 0.755098 Cd\n0.333333 0.666667 0.244902 Cd\n0.000000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg",
"density": 9.329053995891355,
"density_atomic": 0.041783915035476814,
"volume": 95.73061778925653,
"volume_molar": 14.41258138421657,
"formula_full": "Cd3 Hg1",
"formula_reduced": "Cd3Hg",
"formula_anonymous": "AB3",
"energy": -2.90980997,
"energy_per_atom": -0.7274524925,
"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -2.90980997,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.288000Z",
"spacegroup": 187
},
{
"id": "mp-1185099",
"created_at": "2022-09-04T14:47:13.947583Z",
"structure_string": "K2 Hg6\n1.0\n3.575262 -6.192535 0.000000\n3.575262 6.192535 0.000000\n0.000000 0.000000 5.768071\nK Hg\n2 6\ndirect\n0.666667 0.333333 0.250000 K\n0.333333 0.666667 0.750000 K\n0.312108 0.156054 0.750000 Hg\n0.843946 0.687892 0.750000 Hg\n0.156054 0.843946 0.250000 Hg\n0.687892 0.843946 0.250000 Hg\n0.156054 0.312108 0.250000 Hg\n0.843946 0.156054 0.750000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Hg"
],
"chemical_system": "Hg-K",
"density": 8.333183536537417,
"density_atomic": 0.03132225716471563,
"volume": 255.40943482872495,
"volume_molar": 19.22639459963285,
"formula_full": "K2 Hg6",
"formula_reduced": "KHg3",
"formula_anonymous": "AB3",
"energy": -5.80245667,
"energy_per_atom": -0.72530708375,
"energy_above_hull": null,
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"energy_uncorrected": -5.80245667,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0013511,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.767000Z",
"spacegroup": 194
},
{
"id": "mp-1096281",
"created_at": "2022-09-04T14:48:04.301733Z",
"structure_string": "Li1 Al1 Hg2\n1.0\n-5.474413 5.542937 7.827661\n5.474413 -5.542937 7.827661\n5.474413 5.542937 -7.827661\nLi Al Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Al\n0.000000 0.245915 0.245915 Hg\n0.000000 0.754085 0.754085 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Al",
"Hg"
],
"chemical_system": "Al-Hg-Li",
"density": 0.7604509618157509,
"density_atomic": 0.004210081374794746,
"volume": 950.1004004215981,
"volume_molar": 143.0409586867807,
"formula_full": "Li1 Al1 Hg2",
"formula_reduced": "LiAlHg2",
"formula_anonymous": "ABC2",
"energy": -2.89897413,
"energy_per_atom": -0.7247435325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.89897413,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.1163651,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.691000Z",
"spacegroup": 71
},
{
"id": "mp-1095838",
"created_at": "2022-09-04T14:47:15.977204Z",
"structure_string": "Na2 Tl1 Hg1\n1.0\n-6.369666 6.538755 9.236986\n6.369666 -6.538755 9.236986\n6.369666 6.538755 -9.236986\nNa Tl Hg\n2 1 1\ndirect\n0.000000 0.249656 0.249656 Na\n0.000000 0.750344 0.750344 Na\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Tl",
"Hg"
],
"chemical_system": "Hg-Na-Tl",
"density": 0.48660685236228846,
"density_atomic": 0.002599309471098079,
"volume": 1538.870243992224,
"volume_molar": 231.68233051741794,
"formula_full": "Na2 Tl1 Hg1",
"formula_reduced": "Na2TlHg",
"formula_anonymous": "ABC2",
"energy": -2.88531033,
"energy_per_atom": -0.7213275825,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -2.88531033,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.9910343,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.865000Z",
"spacegroup": 71
}
]
}