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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=12180",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=12178",
"results": [
{
"id": "mp-1096160",
"created_at": "2022-09-04T14:45:59.545149Z",
"structure_string": "Sr2 In1 Hg1\n1.0\n-6.607176 6.733677 8.811030\n6.607176 -6.733677 8.811030\n6.607176 6.733677 -8.811030\nSr In Hg\n2 1 1\ndirect\n0.759600 0.000000 0.759600 Sr\n0.240400 0.000000 0.240400 Sr\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"In",
"Hg"
],
"chemical_system": "Hg-In-Sr",
"density": 0.5195942102289478,
"density_atomic": 0.0025509689008503815,
"volume": 1568.0316599181492,
"volume_molar": 236.07268430408863,
"formula_full": "Sr2 In1 Hg1",
"formula_reduced": "Sr2InHg",
"formula_anonymous": "ABC2",
"energy": -2.59934461,
"energy_per_atom": -0.6498361525,
"energy_above_hull": null,
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"energy_uncorrected": -2.59934461,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.9998226,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.424000Z",
"spacegroup": 71
},
{
"id": "mp-1095895",
"created_at": "2022-09-04T14:47:05.432711Z",
"structure_string": "Li2 Zn1 Hg1\n1.0\n-5.546521 5.616342 7.843443\n5.546521 -5.616342 7.843443\n5.546521 5.616342 -7.843443\nLi Zn Hg\n2 1 1\ndirect\n0.248743 0.000000 0.248743 Li\n0.751257 0.000000 0.751257 Li\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zn",
"Hg"
],
"chemical_system": "Hg-Li-Zn",
"density": 0.47553399684329495,
"density_atomic": 0.004092786100014453,
"volume": 977.3293551758973,
"volume_molar": 147.1403736437322,
"formula_full": "Li2 Zn1 Hg1",
"formula_reduced": "Li2ZnHg",
"formula_anonymous": "ABC2",
"energy": -2.59891284,
"energy_per_atom": -0.64972821,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -2.59891284,
"band_gap": 0.6725999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023307,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.579000Z",
"spacegroup": 71
},
{
"id": "mp-1097089",
"created_at": "2022-09-04T14:44:19.043024Z",
"structure_string": "Cs1 Rb1 Na2\n1.0\n-7.672120 8.188441 10.868048\n7.672120 -8.188441 10.868048\n7.672120 8.188441 -10.868048\nCs Rb Na\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Cs\n0.000000 0.000000 0.000000 Rb\n0.753124 0.000000 0.753124 Na\n0.246876 0.000000 0.246876 Na\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cs",
"Rb",
"Na"
],
"chemical_system": "Cs-Na-Rb",
"density": 0.1607329243172449,
"density_atomic": 0.0014646432044920594,
"volume": 2731.0405617777787,
"volume_molar": 411.1677671073815,
"formula_full": "Cs1 Rb1 Na2",
"formula_reduced": "CsRbNa2",
"formula_anonymous": "ABC2",
"energy": -2.59798321,
"energy_per_atom": -0.6494958025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -2.59798321,
"band_gap": 0.3255999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.45e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.616000Z",
"spacegroup": 71
},
{
"id": "mp-1097144",
"created_at": "2022-09-04T14:43:21.792511Z",
"structure_string": "Li1 Tl1 Hg2\n1.0\n-5.786293 5.840750 9.047056\n5.786293 -5.840750 9.047056\n5.786293 5.840750 -9.047056\nLi Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Tl\n0.768348 0.000000 0.768348 Hg\n0.231652 0.000000 0.231652 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Tl",
"Hg"
],
"chemical_system": "Hg-Li-Tl",
"density": 0.8316142656620669,
"density_atomic": 0.003270571760930784,
"volume": 1223.027743278021,
"volume_molar": 184.13113058513466,
"formula_full": "Li1 Tl1 Hg2",
"formula_reduced": "LiTlHg2",
"formula_anonymous": "ABC2",
"energy": -2.59558751,
"energy_per_atom": -0.6488968775,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -2.59558751,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0924103,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.572000Z",
"spacegroup": 71
},
{
"id": "mp-542239",
"created_at": "2022-09-04T14:47:17.539109Z",
"structure_string": "Cs5 Hg19\n1.0\n-6.236928 6.236928 5.661681\n6.236928 -6.236928 5.661681\n6.236928 6.236928 -5.661681\nCs Hg\n5 19\ndirect\n0.119118 0.324303 0.443421 Cs\n0.324303 0.880882 0.205185 Cs\n0.675697 0.119118 0.794815 Cs\n0.880882 0.675697 0.556579 Cs\n0.500000 0.500000 0.000000 Cs\n0.246243 0.063395 0.589332 Hg\n0.063395 0.474062 0.817152 Hg\n0.656910 0.246243 0.182848 Hg\n0.474062 0.656910 0.410668 Hg\n0.753757 0.936605 0.410668 Hg\n0.936605 0.525938 0.182848 Hg\n0.343090 0.753757 0.817152 Hg\n0.525938 0.343090 0.589332 Hg\n0.250000 0.750000 0.500000 Hg\n0.750000 0.250000 0.500000 Hg\n0.954470 0.861779 0.252514 Hg\n0.861779 0.609265 0.907309 Hg\n0.701956 0.954470 0.092691 Hg\n0.609265 0.701956 0.747486 Hg\n0.045530 0.138221 0.747486 Hg\n0.138221 0.390735 0.092691 Hg\n0.298044 0.045530 0.907309 Hg\n0.390735 0.298044 0.252514 Hg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Cs",
"Hg"
],
"chemical_system": "Cs-Hg",
"density": 8.436587850901041,
"density_atomic": 0.027243593612802177,
"volume": 880.9410513568238,
"volume_molar": 22.104795885554925,
"formula_full": "Cs5 Hg19",
"formula_reduced": "Cs5Hg19",
"formula_anonymous": "A5B19",
"energy": -15.56930887,
"energy_per_atom": -0.6487212029166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -15.56930887,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0149128,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:00.774000Z",
"spacegroup": 87
},
{
"id": "mp-1096162",
"created_at": "2022-09-04T14:40:31.663083Z",
"structure_string": "Mg2 Cd1 Ga1\n1.0\n-5.520032 5.951147 8.421434\n5.520032 -5.951147 8.421434\n5.520032 5.951147 -8.421434\nMg Cd Ga\n2 1 1\ndirect\n0.000000 0.245625 0.245625 Mg\n0.000000 0.754375 0.754375 Mg\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Ga"
],
"chemical_system": "Cd-Ga-Mg",
"density": 0.34625113078598735,
"density_atomic": 0.003614695157617059,
"volume": 1106.5940074008754,
"volume_molar": 166.6016219185138,
"formula_full": "Mg2 Cd1 Ga1",
"formula_reduced": "Mg2CdGa",
"formula_anonymous": "ABC2",
"energy": -2.57092258,
"energy_per_atom": -0.642730645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.57092258,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1475153,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.535000Z",
"spacegroup": 71
},
{
"id": "mp-1096613",
"created_at": "2022-09-04T14:48:09.416241Z",
"structure_string": "Sr1 La1 Mg2\n1.0\n-5.999535 7.090681 8.502101\n5.999535 -7.090681 8.502101\n5.999535 7.090681 -8.502101\nSr La Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 La\n0.741224 0.000000 0.741224 Mg\n0.258776 0.000000 0.258776 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"La",
"Mg"
],
"chemical_system": "La-Mg-Sr",
"density": 0.315794011479698,
"density_atomic": 0.0027648285245853665,
"volume": 1446.7443331227453,
"volume_molar": 217.81245044493755,
"formula_full": "Sr1 La1 Mg2",
"formula_reduced": "SrLaMg2",
"formula_anonymous": "ABC2",
"energy": -2.5548613,
"energy_per_atom": -0.638715325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.5548613,
"band_gap": 0.0051000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.011209,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.078000Z",
"spacegroup": 71
},
{
"id": "mp-1224131",
"created_at": "2022-09-04T14:43:40.297262Z",
"structure_string": "K7 Hg31\n1.0\n5.766872 -9.988516 0.000000\n5.766872 9.988516 0.000000\n0.000000 0.000000 10.376173\nK Hg\n7 31\ndirect\n0.000000 0.000000 0.000000 K\n0.333333 0.666667 0.000000 K\n0.167635 0.335269 0.500000 K\n0.664731 0.832365 0.500000 K\n0.167635 0.832365 0.500000 K\n0.666667 0.333333 0.796756 K\n0.666667 0.333333 0.203244 K\n0.399175 0.335849 0.000000 Hg\n0.664151 0.063327 0.000000 Hg\n0.936673 0.600825 0.000000 Hg\n0.936673 0.335849 0.000000 Hg\n0.664151 0.600825 0.000000 Hg\n0.399175 0.063327 0.000000 Hg\n0.171261 0.342522 0.832773 Hg\n0.657478 0.828739 0.832773 Hg\n0.171261 0.828739 0.832773 Hg\n0.171261 0.342522 0.167227 Hg\n0.657478 0.828739 0.167227 Hg\n0.171261 0.828739 0.167227 Hg\n0.854961 0.709922 0.734668 Hg\n0.290078 0.145039 0.734668 Hg\n0.854961 0.145039 0.734668 Hg\n0.488940 0.977880 0.699578 Hg\n0.488940 0.511060 0.699578 Hg\n0.022120 0.511060 0.699578 Hg\n0.488940 0.977880 0.300422 Hg\n0.022120 0.511060 0.300422 Hg\n0.488940 0.511060 0.300422 Hg\n0.854961 0.709922 0.265332 Hg\n0.854961 0.145039 0.265332 Hg\n0.290078 0.145039 0.265332 Hg\n0.000000 0.000000 0.641449 Hg\n0.333333 0.666667 0.646173 Hg\n0.333333 0.666667 0.353827 Hg\n0.000000 0.000000 0.358551 Hg\n0.763594 0.527189 0.500000 Hg\n0.472811 0.236406 0.500000 Hg\n0.763594 0.236406 0.500000 Hg\n",
"nsites": 38,
"nelements": 2,
"elements": [
"K",
"Hg"
],
"chemical_system": "Hg-K",
"density": 9.018154308973468,
"density_atomic": 0.03178887182608722,
"volume": 1195.3868702196496,
"volume_molar": 18.944178934522583,
"formula_full": "K7 Hg31",
"formula_reduced": "K7Hg31",
"formula_anonymous": "A7B31",
"energy": -23.8918837,
"energy_per_atom": -0.6287337815789474,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -23.8918837,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0304784,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.317000Z",
"spacegroup": 187
},
{
"id": "mp-1203966",
"created_at": "2022-09-04T14:40:57.752305Z",
"structure_string": "Sr8 Hg64\n1.0\n5.470973 0.000000 0.000000\n0.000000 13.495802 0.000000\n0.000000 0.000000 27.350314\nSr Hg\n8 64\ndirect\n0.250000 0.044386 0.298767 Sr\n0.250000 0.544386 0.201233 Sr\n0.750000 0.955614 0.701233 Sr\n0.750000 0.455614 0.798767 Sr\n0.250000 0.078135 0.905011 Sr\n0.250000 0.578135 0.594989 Sr\n0.750000 0.921865 0.094989 Sr\n0.750000 0.421865 0.405011 Sr\n0.250000 0.008013 0.448720 Hg\n0.250000 0.508013 0.051280 Hg\n0.750000 0.991987 0.551280 Hg\n0.750000 0.491987 0.948720 Hg\n0.250000 0.072601 0.157627 Hg\n0.250000 0.572601 0.342373 Hg\n0.750000 0.927399 0.842373 Hg\n0.750000 0.427399 0.657627 Hg\n0.250000 0.071248 0.773301 Hg\n0.250000 0.571248 0.726699 Hg\n0.750000 0.928752 0.226699 Hg\n0.750000 0.428752 0.273301 Hg\n0.250000 0.126368 0.667562 Hg\n0.250000 0.626368 0.832438 Hg\n0.750000 0.873632 0.332438 Hg\n0.750000 0.373632 0.167562 Hg\n0.250000 0.135598 0.539794 Hg\n0.250000 0.635598 0.960206 Hg\n0.750000 0.864402 0.460206 Hg\n0.750000 0.364402 0.039794 Hg\n0.250000 0.220543 0.407840 Hg\n0.250000 0.720543 0.092160 Hg\n0.750000 0.779457 0.592160 Hg\n0.750000 0.279457 0.907840 Hg\n0.250000 0.271969 0.218499 Hg\n0.250000 0.771969 0.281501 Hg\n0.750000 0.728031 0.781501 Hg\n0.750000 0.228031 0.718499 Hg\n0.250000 0.277799 0.815629 Hg\n0.250000 0.777799 0.684371 Hg\n0.750000 0.722201 0.184371 Hg\n0.750000 0.222201 0.315629 Hg\n0.250000 0.285675 0.986432 Hg\n0.250000 0.785675 0.513568 Hg\n0.750000 0.714325 0.013568 Hg\n0.750000 0.214325 0.486432 Hg\n0.250000 0.310394 0.106669 Hg\n0.250000 0.810394 0.393331 Hg\n0.750000 0.689606 0.893331 Hg\n0.750000 0.189606 0.606669 Hg\n0.250000 0.325561 0.604139 Hg\n0.250000 0.825561 0.895861 Hg\n0.750000 0.674439 0.395861 Hg\n0.750000 0.174439 0.104139 Hg\n0.250000 0.355039 0.320717 Hg\n0.250000 0.855039 0.179283 Hg\n0.750000 0.644961 0.679283 Hg\n0.750000 0.144961 0.820717 Hg\n0.250000 0.354077 0.714111 Hg\n0.250000 0.854077 0.785889 Hg\n0.750000 0.645923 0.285889 Hg\n0.750000 0.145923 0.214111 Hg\n0.250000 0.372537 0.490313 Hg\n0.250000 0.872537 0.009687 Hg\n0.750000 0.627463 0.509687 Hg\n0.750000 0.127463 0.990313 Hg\n0.250000 0.430036 0.894372 Hg\n0.250000 0.930036 0.605628 Hg\n0.750000 0.569964 0.105628 Hg\n0.750000 0.069964 0.394372 Hg\n0.250000 0.584490 0.453026 Hg\n0.250000 0.084490 0.046974 Hg\n0.750000 0.415510 0.546974 Hg\n0.750000 0.915510 0.953026 Hg\n",
"nsites": 72,
"nelements": 2,
"elements": [
"Sr",
"Hg"
],
"chemical_system": "Hg-Sr",
"density": 11.132715682629444,
"density_atomic": 0.03565388917978674,
"volume": 2019.4150387615766,
"volume_molar": 16.890557800393154,
"formula_full": "Sr8 Hg64",
"formula_reduced": "SrHg8",
"formula_anonymous": "AB8",
"energy": -45.21380234,
"energy_per_atom": -0.6279694769444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.21380234,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0166875,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.534000Z",
"spacegroup": 62
},
{
"id": "mp-1096303",
"created_at": "2022-09-04T14:39:44.885388Z",
"structure_string": "Mg2 Zn1 Ga1\n1.0\n-5.327614 5.571841 7.876203\n5.327614 -5.571841 7.876203\n5.327614 5.571841 -7.876203\nMg Zn Ga\n2 1 1\ndirect\n0.000000 0.252483 0.252483 Mg\n0.000000 0.747517 0.747517 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Ga"
],
"chemical_system": "Ga-Mg-Zn",
"density": 0.3262489917037634,
"density_atomic": 0.004277121946048481,
"volume": 935.2083130796618,
"volume_molar": 140.79890253219682,
"formula_full": "Mg2 Zn1 Ga1",
"formula_reduced": "Mg2ZnGa",
"formula_anonymous": "ABC2",
"energy": -2.48907358,
"energy_per_atom": -0.622268395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.48907358,
"band_gap": 0.0707999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.9999346,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.439000Z",
"spacegroup": 71
},
{
"id": "mp-1096458",
"created_at": "2022-09-04T14:39:47.711976Z",
"structure_string": "Na1 Tl1 Cd2\n1.0\n-6.044578 6.146596 8.418492\n6.044578 -6.146596 8.418492\n6.044578 6.146596 -8.418492\nNa Tl Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Tl\n0.000000 0.249998 0.249998 Cd\n0.000000 0.750002 0.750002 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Tl",
"Cd"
],
"chemical_system": "Cd-Na-Tl",
"density": 0.6001778590395918,
"density_atomic": 0.0031971649360757522,
"volume": 1251.1084288662503,
"volume_molar": 188.35877661637514,
"formula_full": "Na1 Tl1 Cd2",
"formula_reduced": "NaTlCd2",
"formula_anonymous": "ABC2",
"energy": -2.48301332,
"energy_per_atom": -0.62075333,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -2.48301332,
"band_gap": 0.0,
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"total_magnetization": 0.0015969,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.332000Z",
"spacegroup": 71
},
{
"id": "mp-1097233",
"created_at": "2022-09-04T14:45:55.108501Z",
"structure_string": "Na1 Ga1 Hg2\n1.0\n-5.764739 6.117765 8.610543\n5.764739 -6.117765 8.610543\n5.764739 6.117765 -8.610543\nNa Ga Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Ga\n0.000000 0.254056 0.254056 Hg\n0.000000 0.745944 0.745944 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ga",
"Hg"
],
"chemical_system": "Ga-Hg-Na",
"density": 0.6751787954370948,
"density_atomic": 0.003293040107974881,
"volume": 1214.683049354014,
"volume_molar": 182.8748075498975,
"formula_full": "Na1 Ga1 Hg2",
"formula_reduced": "NaGaHg2",
"formula_anonymous": "ABC2",
"energy": -2.48039593,
"energy_per_atom": -0.6200989825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.48039593,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0180039,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.436000Z",
"spacegroup": 71
}
]
}