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{
"count": 146323,
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"results": [
{
"id": "mp-1097635",
"created_at": "2022-09-04T14:42:55.484195Z",
"structure_string": "Na1 Sr2 Ca1\n1.0\n-7.366532 7.582652 10.417916\n7.366532 -7.582652 10.417916\n7.366532 7.582652 -10.417916\nNa Sr Ca\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.249337 0.000000 0.249337 Sr\n0.750663 0.000000 0.750663 Sr\n0.500000 0.000000 0.500000 Ca\n",
"nsites": 4,
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"elements": [
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"Ca"
],
"chemical_system": "Ca-Na-Sr",
"density": 0.17000521804033777,
"density_atomic": 0.0017184422587990368,
"volume": 2327.689498741418,
"volume_molar": 350.44184517486656,
"formula_full": "Na1 Sr2 Ca1",
"formula_reduced": "NaSr2Ca",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:57.094000Z",
"spacegroup": 71
},
{
"id": "mp-1097677",
"created_at": "2022-09-04T14:40:54.469316Z",
"structure_string": "Na1 Mg2 Cd1\n1.0\n-6.243948 6.313858 8.926340\n6.243948 -6.313858 8.926340\n6.243948 6.313858 -8.926340\nNa Mg Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.254479 0.254479 Mg\n0.000000 0.745521 0.745521 Mg\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Na",
"density": 0.217072513164477,
"density_atomic": 0.0028416624417585573,
"volume": 1407.6267262499368,
"volume_molar": 211.92315707537767,
"formula_full": "Na1 Mg2 Cd1",
"formula_reduced": "NaMg2Cd",
"formula_anonymous": "ABC2",
"energy": -1.66518687,
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"energy_uncorrected": -1.66518687,
"band_gap": 0.0,
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"total_magnetization": 0.0013551,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.138000Z",
"spacegroup": 71
},
{
"id": "mp-1183639",
"created_at": "2022-09-04T14:42:01.708940Z",
"structure_string": "Cd1 Hg3\n1.0\n0.000000 3.863088 3.863088\n3.863088 0.000000 3.863088\n3.863088 3.863088 0.000000\nCd Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\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": [
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg",
"density": 10.28545692719009,
"density_atomic": 0.03469174868435934,
"volume": 115.30119269552378,
"volume_molar": 17.359000305208202,
"formula_full": "Cd1 Hg3",
"formula_reduced": "CdHg3",
"formula_anonymous": "AB3",
"energy": -1.66540081,
"energy_per_atom": -0.4163502025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.66540081,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000198,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.478000Z",
"spacegroup": 225
},
{
"id": "mp-1096326",
"created_at": "2022-09-04T14:40:34.120689Z",
"structure_string": "K1 Na1 Hg2\n1.0\n-6.443670 6.736404 9.057524\n6.443670 -6.736404 9.057524\n6.443670 6.736404 -9.057524\nK Na Hg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Na\n0.237187 0.000000 0.237187 Hg\n0.762813 0.000000 0.762813 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Na",
"Hg"
],
"chemical_system": "Hg-K-Na",
"density": 0.4891595810297792,
"density_atomic": 0.002543484472530325,
"volume": 1572.6457319476754,
"volume_molar": 236.76734908505324,
"formula_full": "K1 Na1 Hg2",
"formula_reduced": "KNaHg2",
"formula_anonymous": "ABC2",
"energy": -1.67575721,
"energy_per_atom": -0.4189393025,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.67575721,
"band_gap": 0.0516,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.073000Z",
"spacegroup": 71
},
{
"id": "mp-1183650",
"created_at": "2022-09-04T14:46:23.762641Z",
"structure_string": "Cd1 Hg3\n1.0\n-2.327198 2.327198 5.140748\n2.327198 -2.327198 5.140748\n2.327198 2.327198 -5.140748\nCd Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg",
"density": 10.648891766929818,
"density_atomic": 0.03591757561773172,
"volume": 111.36609114634362,
"volume_molar": 16.766556919356777,
"formula_full": "Cd1 Hg3",
"formula_reduced": "CdHg3",
"formula_anonymous": "AB3",
"energy": -1.6781049,
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"band_gap": 0.0,
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"total_magnetization": 0.0009084,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.546000Z",
"spacegroup": 139
},
{
"id": "mp-1096498",
"created_at": "2022-09-04T14:44:43.711218Z",
"structure_string": "Ba2 Na1 Mg1\n1.0\n-7.323016 7.512237 10.373433\n7.323016 -7.512237 10.373433\n7.323016 7.512237 -10.373433\nBa Na Mg\n2 1 1\ndirect\n0.740948 0.000000 0.740948 Ba\n0.259052 0.000000 0.259052 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Mg"
],
"chemical_system": "Ba-Mg-Na",
"density": 0.23420389057920193,
"density_atomic": 0.0017523394162980775,
"volume": 2282.662800823279,
"volume_molar": 343.6629173543408,
"formula_full": "Ba2 Na1 Mg1",
"formula_reduced": "Ba2NaMg",
"formula_anonymous": "ABC2",
"energy": -1.68091375,
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"energy_above_hull": null,
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"energy_uncorrected": -1.68091375,
"band_gap": 0.1331,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.9997494,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.729000Z",
"spacegroup": 71
},
{
"id": "mp-1210811",
"created_at": "2022-09-04T14:47:58.287691Z",
"structure_string": "Na9 Hg1\n1.0\n6.675720 -11.568252 0.000000\n6.675720 11.568252 0.000000\n0.000000 0.000000 32.897133\nNa Hg\n9 1\ndirect\n0.000000 0.000000 0.248294 Na\n0.000000 0.000000 0.751706 Na\n0.252157 0.996765 0.000000 Na\n0.747843 0.003235 0.000000 Na\n0.996765 0.252157 0.000000 Na\n0.003235 0.747843 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Na",
"Hg"
],
"chemical_system": "Hg-Na",
"density": 0.13317435370757058,
"density_atomic": 0.0019680951917459485,
"volume": 5081.055043444692,
"volume_molar": 305.98828680931854,
"formula_full": "Na9 Hg1",
"formula_reduced": "Na9Hg",
"formula_anonymous": "AB9",
"energy": -4.20269748,
"energy_per_atom": -0.42026974800000005,
"energy_above_hull": null,
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"energy_uncorrected": -4.20269748,
"band_gap": 0.0583,
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"is_magnetic": false,
"total_magnetization": 3.9940814,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.711000Z",
"spacegroup": 65
},
{
"id": "mp-971757",
"created_at": "2022-09-04T14:40:19.831370Z",
"structure_string": "Zn1 Hg3\n1.0\n0.000000 3.708506 3.708506\n3.708506 0.000000 3.708506\n3.708506 3.708506 0.000000\nZn Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\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": [
"Zn",
"Hg"
],
"chemical_system": "Hg-Zn",
"density": 10.860867411297363,
"density_atomic": 0.03921326801301141,
"volume": 102.00629028605202,
"volume_molar": 15.357405962700648,
"formula_full": "Zn1 Hg3",
"formula_reduced": "ZnHg3",
"formula_anonymous": "AB3",
"energy": -1.68375966,
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"energy_above_hull": null,
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"energy_uncorrected": -1.68375966,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.52e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.854000Z",
"spacegroup": 225
},
{
"id": "mp-1183652",
"created_at": "2022-09-04T14:46:07.561044Z",
"structure_string": "Cd2 Hg6\n1.0\n3.373767 -5.843535 0.000000\n3.373767 5.843535 0.000000\n0.000000 0.000000 5.424366\nCd Hg\n2 6\ndirect\n0.333333 0.666667 0.750000 Cd\n0.666667 0.333333 0.250000 Cd\n0.167366 0.334733 0.250000 Hg\n0.665267 0.832634 0.250000 Hg\n0.167366 0.832634 0.250000 Hg\n0.832634 0.665267 0.750000 Hg\n0.334733 0.167366 0.750000 Hg\n0.832634 0.167366 0.750000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg",
"density": 11.089645640316572,
"density_atomic": 0.03740419140110736,
"volume": 213.8797739058505,
"volume_molar": 16.100176302225087,
"formula_full": "Cd2 Hg6",
"formula_reduced": "CdHg3",
"formula_anonymous": "AB3",
"energy": -3.38188388,
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"band_gap": 0.0,
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"total_magnetization": 1.14e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.048000Z",
"spacegroup": 194
},
{
"id": "mp-971767",
"created_at": "2022-09-04T14:46:22.711344Z",
"structure_string": "Zn1 Hg3\n1.0\n-2.193442 2.193442 5.052836\n2.193442 -2.193442 5.052836\n2.193442 2.193442 -5.052836\nZn Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Hg"
],
"chemical_system": "Hg-Zn",
"density": 11.39315383633264,
"density_atomic": 0.041135093356619266,
"volume": 97.24057182323955,
"volume_molar": 14.639910277560961,
"formula_full": "Zn1 Hg3",
"formula_reduced": "ZnHg3",
"formula_anonymous": "AB3",
"energy": -1.71103303,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.332000Z",
"spacegroup": 139
},
{
"id": "mp-1095981",
"created_at": "2022-09-04T14:42:22.932092Z",
"structure_string": "Na1 Mg1 Cd2\n1.0\n-6.170359 6.331766 8.953741\n6.170359 -6.331766 8.953741\n6.170359 6.331766 -8.953741\nNa Mg Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Mg\n0.000000 0.250342 0.250342 Cd\n0.000000 0.749658 0.749658 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Na",
"density": 0.32292717663534454,
"density_atomic": 0.0028586447189492066,
"volume": 1399.2644743451497,
"volume_molar": 210.6641906243475,
"formula_full": "Na1 Mg1 Cd2",
"formula_reduced": "NaMgCd2",
"formula_anonymous": "ABC2",
"energy": -1.71110916,
"energy_per_atom": -0.42777729,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.610000Z",
"spacegroup": 71
},
{
"id": "mp-568335",
"created_at": "2022-09-04T14:48:23.924598Z",
"structure_string": "Cs6 Hg81\n1.0\n-8.841352 8.841352 8.841352\n8.841352 -8.841352 8.841352\n8.841352 8.841352 -8.841352\nCs Hg\n6 81\ndirect\n0.304143 0.804143 0.500000 Cs\n0.500000 0.304143 0.804143 Cs\n0.195857 0.500000 0.695857 Cs\n0.804143 0.500000 0.304143 Cs\n0.695857 0.195857 0.500000 Cs\n0.500000 0.695857 0.195857 Cs\n0.587778 0.905783 0.493560 Hg\n0.725382 0.734220 0.459602 Hg\n0.493560 0.587778 0.905783 Hg\n0.265780 0.991162 0.725382 Hg\n0.412222 0.905783 0.318005 Hg\n0.167197 0.894887 0.062084 Hg\n0.105113 0.272310 0.167197 Hg\n0.274618 0.265780 0.540398 Hg\n0.384940 0.100235 0.284705 Hg\n0.274618 0.734220 0.008838 Hg\n0.105113 0.937916 0.832803 Hg\n0.175829 0.495583 0.967324 Hg\n0.680246 0.471741 0.504417 Hg\n0.824171 0.791495 0.319754 Hg\n0.175829 0.208505 0.680246 Hg\n0.032676 0.824171 0.504417 Hg\n0.000000 0.649557 0.000000 Hg\n0.318005 0.412222 0.905783 Hg\n0.284705 0.384940 0.100235 Hg\n0.319754 0.528259 0.495583 Hg\n0.506440 0.412222 0.094217 Hg\n0.991162 0.725382 0.265780 Hg\n0.967324 0.175829 0.495583 Hg\n0.350443 0.000000 0.000000 Hg\n0.905783 0.493560 0.587778 Hg\n0.540398 0.274618 0.265780 Hg\n0.680246 0.175829 0.208505 Hg\n0.649557 0.000000 0.000000 Hg\n0.459602 0.725382 0.734220 Hg\n0.208505 0.032676 0.528259 Hg\n0.734220 0.008838 0.274618 Hg\n0.815531 0.100235 0.715295 Hg\n0.471741 0.791495 0.967324 Hg\n0.649557 0.649557 0.649557 Hg\n0.100235 0.284705 0.384940 Hg\n0.000000 0.000000 0.350443 Hg\n0.937916 0.832803 0.105113 Hg\n0.587778 0.094217 0.681995 Hg\n0.094217 0.506440 0.412222 Hg\n0.319754 0.824171 0.791495 Hg\n0.008838 0.274618 0.734220 Hg\n0.062084 0.167197 0.894887 Hg\n0.791495 0.967324 0.471741 Hg\n0.094217 0.681995 0.587778 Hg\n0.734220 0.459602 0.725382 Hg\n0.894887 0.062084 0.167197 Hg\n0.032676 0.528259 0.208505 Hg\n0.967324 0.471741 0.791495 Hg\n0.832803 0.894887 0.727690 Hg\n0.727690 0.832803 0.894887 Hg\n0.495583 0.319754 0.528259 Hg\n0.350443 0.350443 0.350443 Hg\n0.184469 0.899765 0.284705 Hg\n0.899765 0.715295 0.615060 Hg\n0.100235 0.715295 0.815531 Hg\n0.000000 0.000000 0.649557 Hg\n0.715295 0.615060 0.899765 Hg\n0.832803 0.105113 0.937916 Hg\n0.894887 0.727690 0.832803 Hg\n0.471741 0.504417 0.680246 Hg\n0.504417 0.032676 0.824171 Hg\n0.412222 0.094217 0.506440 Hg\n0.528259 0.495583 0.319754 Hg\n0.725382 0.265780 0.991162 Hg\n0.791495 0.319754 0.824171 Hg\n0.824171 0.504417 0.032676 Hg\n0.000000 0.350443 0.000000 Hg\n0.615060 0.899765 0.715295 Hg\n0.284705 0.184469 0.899765 Hg\n0.681995 0.587778 0.094217 Hg\n0.504417 0.680246 0.471741 Hg\n0.528259 0.208505 0.032676 Hg\n0.495583 0.967324 0.175829 Hg\n0.000000 0.000000 0.000000 Hg\n0.272310 0.167197 0.105113 Hg\n0.905783 0.318005 0.412222 Hg\n0.208505 0.680246 0.175829 Hg\n0.265780 0.540398 0.274618 Hg\n0.899765 0.284705 0.184469 Hg\n0.715295 0.815531 0.100235 Hg\n0.167197 0.105113 0.272310 Hg\n",
"nsites": 87,
"nelements": 2,
"elements": [
"Cs",
"Hg"
],
"chemical_system": "Cs-Hg",
"density": 10.238486025653664,
"density_atomic": 0.03147046912821459,
"volume": 2764.496444128342,
"volume_molar": 19.135846801218793,
"formula_full": "Cs6 Hg81",
"formula_reduced": "Cs2Hg27",
"formula_anonymous": "A2B27",
"energy": -38.04247484,
"energy_per_atom": -0.4372698257471264,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -38.04247484,
"band_gap": 0.0,
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"total_magnetization": 0.7164073,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:57.075000Z",
"spacegroup": 204
}
]
}