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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=122",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=120",
"results": [
{
"id": "mp-1183215",
"created_at": "2022-09-04T14:40:16.982442Z",
"structure_string": "Al1 Cd3\n1.0\n-2.193786 2.193786 4.465218\n2.193786 -2.193786 4.465218\n2.193786 2.193786 -4.465218\nAl Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.750000 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Cd"
],
"chemical_system": "Al-Cd",
"density": 7.035827706738082,
"density_atomic": 0.04653383139574335,
"volume": 85.95896533819257,
"volume_molar": 12.941424721263918,
"formula_full": "Al1 Cd3",
"formula_reduced": "AlCd3",
"formula_anonymous": "AB3",
"energy": -6.05296002,
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"updated_at": "2021-11-28T01:34:49.822000Z",
"spacegroup": 139
},
{
"id": "mp-1094774",
"created_at": "2022-09-04T14:42:21.059036Z",
"structure_string": "Sr1 Mg1\n1.0\n2.025837 -3.508853 0.000000\n2.025837 3.508853 0.000000\n0.000000 0.000000 5.589380\nSr Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.500000 Mg\n",
"nsites": 2,
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"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.3389066849323648,
"density_atomic": 0.02516904228016122,
"volume": 79.46269777521265,
"volume_molar": 23.926777558583467,
"formula_full": "Sr1 Mg1",
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"formula_anonymous": "AB",
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"updated_at": "2021-11-28T01:35:42.550000Z",
"spacegroup": 187
},
{
"id": "mp-1215055",
"created_at": "2022-09-04T14:39:19.762780Z",
"structure_string": "Ce4 Cd34\n1.0\n5.297429 -9.175417 0.000000\n5.297429 9.175417 0.000000\n0.000000 0.000000 10.264015\nCe Cd\n4 34\ndirect\n0.000000 0.000000 0.750000 Ce\n0.000000 0.000000 0.250000 Ce\n0.333333 0.666667 0.750000 Ce\n0.666667 0.333333 0.250000 Ce\n0.162044 0.324088 0.504594 Cd\n0.837956 0.675912 0.495406 Cd\n0.675912 0.837956 0.504594 Cd\n0.837956 0.675912 0.004594 Cd\n0.324088 0.162044 0.495406 Cd\n0.162044 0.324088 0.995406 Cd\n0.162044 0.837956 0.504594 Cd\n0.324088 0.162044 0.004594 Cd\n0.837956 0.162044 0.495406 Cd\n0.675912 0.837956 0.995406 Cd\n0.837956 0.162044 0.004594 Cd\n0.162044 0.837956 0.995406 Cd\n0.333333 0.666667 0.098511 Cd\n0.666667 0.333333 0.901489 Cd\n0.666667 0.333333 0.598511 Cd\n0.333333 0.666667 0.401489 Cd\n0.992278 0.331673 0.750000 Cd\n0.007722 0.668327 0.250000 Cd\n0.668327 0.660605 0.750000 Cd\n0.331673 0.992278 0.250000 Cd\n0.331673 0.339395 0.250000 Cd\n0.668327 0.007722 0.750000 Cd\n0.339395 0.007722 0.750000 Cd\n0.660605 0.668327 0.250000 Cd\n0.660605 0.992278 0.250000 Cd\n0.339395 0.331673 0.750000 Cd\n0.007722 0.339395 0.250000 Cd\n0.992278 0.660605 0.750000 Cd\n0.500000 0.000000 0.500000 Cd\n0.000000 0.500000 0.500000 Cd\n0.500000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n",
"nsites": 38,
"nelements": 2,
"elements": [
"Ce",
"Cd"
],
"chemical_system": "Cd-Ce",
"density": 7.29334317123865,
"density_atomic": 0.03808424647942005,
"volume": 997.7878916557906,
"volume_molar": 15.812681926775793,
"formula_full": "Ce4 Cd34",
"formula_reduced": "Ce2Cd17",
"formula_anonymous": "A2B17",
"energy": -57.5058826,
"energy_per_atom": -1.5133127,
"energy_above_hull": null,
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"energy_uncorrected": -57.5058826,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 4.6123881,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.469000Z",
"spacegroup": 194
},
{
"id": "mp-935148",
"created_at": "2022-09-04T14:45:07.331783Z",
"structure_string": "Mg20 Zn35\n1.0\n2.643390 12.883139 0.000000\n-2.643390 12.883139 0.000000\n0.000000 3.078217 13.801519\nMg Zn\n20 35\ndirect\n0.127369 0.127369 0.897541 Mg\n0.965685 0.965685 0.712750 Mg\n0.696367 0.696367 0.350294 Mg\n0.559463 0.559463 0.950970 Mg\n0.517681 0.517681 0.600688 Mg\n0.215653 0.215653 0.024251 Mg\n0.642768 0.642768 0.572406 Mg\n0.440537 0.440537 0.049030 Mg\n0.178740 0.178740 0.674802 Mg\n0.482319 0.482319 0.399312 Mg\n0.303633 0.303633 0.649706 Mg\n0.821260 0.821260 0.325198 Mg\n0.994280 0.994280 0.902742 Mg\n0.163069 0.163069 0.251420 Mg\n0.836931 0.836931 0.748580 Mg\n0.357232 0.357232 0.427594 Mg\n0.872631 0.872631 0.102459 Mg\n0.784347 0.784347 0.975749 Mg\n0.034315 0.034315 0.287250 Mg\n0.005720 0.005720 0.097258 Mg\n0.078785 0.078785 0.591705 Zn\n0.482647 0.482647 0.819828 Zn\n0.742533 0.742533 0.660740 Zn\n0.177511 0.687430 0.243961 Zn\n0.657946 0.170043 0.570679 Zn\n0.312570 0.822489 0.756039 Zn\n0.501919 0.002129 0.498117 Zn\n0.921215 0.921215 0.408295 Zn\n0.312626 0.312626 0.858603 Zn\n0.829957 0.342054 0.429321 Zn\n0.477095 0.989609 0.824505 Zn\n0.670711 0.670711 0.962978 Zn\n0.169614 0.169614 0.465664 Zn\n0.599157 0.599157 0.266806 Zn\n0.517353 0.517353 0.180172 Zn\n0.687374 0.687374 0.141397 Zn\n0.870575 0.344885 0.100649 Zn\n0.170043 0.657946 0.570679 Zn\n0.687430 0.177511 0.243961 Zn\n0.830386 0.830386 0.534336 Zn\n0.129425 0.655115 0.899351 Zn\n0.342054 0.829957 0.429321 Zn\n0.997871 0.498081 0.501883 Zn\n0.651000 0.651000 0.785369 Zn\n0.989609 0.477095 0.824505 Zn\n0.344885 0.870575 0.100649 Zn\n0.349000 0.349000 0.214631 Zn\n0.655115 0.129425 0.899351 Zn\n0.400843 0.400843 0.733194 Zn\n0.010391 0.522905 0.175495 Zn\n0.822489 0.312570 0.756039 Zn\n0.000000 0.000000 0.500000 Zn\n0.522905 0.010391 0.175495 Zn\n0.329289 0.329289 0.037022 Zn\n0.257467 0.257467 0.339260 Zn\n",
"nsites": 55,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 4.902721345064598,
"density_atomic": 0.05850902633112991,
"volume": 940.0258976919101,
"volume_molar": 10.292669588992803,
"formula_full": "Mg20 Zn35",
"formula_reduced": "Mg4Zn7",
"formula_anonymous": "A4B7",
"energy": -83.24908324,
"energy_per_atom": -1.5136196952727274,
"energy_above_hull": null,
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"energy_uncorrected": -83.24908324,
"band_gap": 0.0,
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"total_magnetization": 0.0143351,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.062000Z",
"spacegroup": 5
},
{
"id": "mp-30490",
"created_at": "2022-09-04T14:41:23.730752Z",
"structure_string": "Mg6 Cd2\n1.0\n3.155729 -5.465884 0.000000\n3.155729 5.465884 0.000000\n0.000000 0.000000 5.139525\nMg Cd\n6 2\ndirect\n0.832411 0.167589 0.250000 Mg\n0.832411 0.664823 0.250000 Mg\n0.335177 0.167589 0.250000 Mg\n0.167589 0.832411 0.750000 Mg\n0.167589 0.335177 0.750000 Mg\n0.664823 0.832411 0.750000 Mg\n0.333333 0.666667 0.250000 Cd\n0.666667 0.333333 0.750000 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 3.4713815849053447,
"density_atomic": 0.04512081098862815,
"volume": 177.3017777099851,
"volume_molar": 13.346703279597008,
"formula_full": "Mg6 Cd2",
"formula_reduced": "Mg3Cd",
"formula_anonymous": "AB3",
"energy": -12.10950545,
"energy_per_atom": -1.51368818125,
"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 0.0008152,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:13.588000Z",
"spacegroup": 194
},
{
"id": "mp-680671",
"created_at": "2022-09-04T14:46:20.449134Z",
"structure_string": "Mg20 Zn35\n1.0\n5.286780 -0.000278 -0.001226\n-2.643350 12.576837 -2.792581\n-0.003465 -0.012690 14.140621\nMg Zn\n20 35\ndirect\n0.874479 0.748109 0.899009 Mg\n0.031558 0.071477 0.714218 Mg\n0.302568 0.610112 0.351761 Mg\n0.440150 0.883921 0.952437 Mg\n0.480964 0.967484 0.602156 Mg\n0.787065 0.571541 0.025719 Mg\n0.357578 0.717311 0.573874 Mg\n0.556624 0.115799 0.045068 Mg\n0.822386 0.645366 0.676270 Mg\n0.518246 0.034855 0.397468 Mg\n0.692852 0.391569 0.648713 Mg\n0.176429 0.358136 0.325182 Mg\n0.004620 0.014286 0.904210 Mg\n0.835474 0.676708 0.252888 Mg\n0.159288 0.323561 0.747522 Mg\n0.643322 0.284788 0.425512 Mg\n0.123291 0.251658 0.103927 Mg\n0.214869 0.428482 0.975926 Mg\n0.967755 0.930373 0.285075 Mg\n0.990620 0.986872 0.094557 Mg\n0.920972 0.845276 0.593172 Zn\n0.517212 0.037552 0.821296 Zn\n0.261939 0.517780 0.662208 Zn\n0.822489 0.137905 0.245429 Zn\n0.342054 0.174857 0.572147 Zn\n0.682644 0.861583 0.753974 Zn\n0.498081 0.498798 0.499585 Zn\n0.080248 0.156548 0.406337 Zn\n0.688666 0.377595 0.860071 Zn\n0.166876 0.825468 0.426969 Zn\n0.522905 0.536142 0.825972 Zn\n0.330474 0.661424 0.964446 Zn\n0.830144 0.663619 0.467131 Zn\n0.404538 0.804533 0.268274 Zn\n0.478703 0.963689 0.177484 Zn\n0.309085 0.623396 0.139643 Zn\n0.129425 0.787386 0.102117 Zn\n0.830541 0.174103 0.571254 Zn\n0.318845 0.139091 0.246680 Zn\n0.164834 0.336716 0.533917 Zn\n0.868777 0.215395 0.898364 Zn\n0.656373 0.825232 0.428056 Zn\n0.999118 0.501368 0.501131 Zn\n0.350574 0.700846 0.786837 Zn\n0.013604 0.535971 0.823839 Zn\n0.653509 0.787239 0.103025 Zn\n0.650460 0.299791 0.213872 Zn\n0.344119 0.213698 0.899032 Zn\n0.596568 0.196856 0.731697 Zn\n0.982734 0.465649 0.175560 Zn\n0.178320 0.862202 0.753338 Zn\n0.999888 0.000061 0.498750 Zn\n0.471582 0.463993 0.175952 Zn\n0.666440 0.340211 0.036457 Zn\n0.737809 0.483414 0.338209 Zn\n",
"nsites": 55,
"nelements": 2,
"elements": [
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"Zn"
],
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"density": 4.902722008350587,
"density_atomic": 0.058509034246778106,
"volume": 940.0257705164338,
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"formula_full": "Mg20 Zn35",
"formula_reduced": "Mg4Zn7",
"formula_anonymous": "A4B7",
"energy": -83.2602112,
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"updated_at": "2021-11-28T01:37:28.396000Z",
"spacegroup": 8
},
{
"id": "mp-1097273",
"created_at": "2022-09-04T14:39:27.578603Z",
"structure_string": "Mg2 Zn1 Ir1\n1.0\n-5.268767 5.592930 7.919557\n5.268767 -5.592930 7.919557\n5.268767 5.592930 -7.919557\nMg Zn Ir\n2 1 1\ndirect\n0.000000 0.261691 0.261691 Mg\n0.000000 0.738309 0.738309 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Zn",
"Ir"
],
"chemical_system": "Ir-Mg-Zn",
"density": 0.5447485508383524,
"density_atomic": 0.004284999089706322,
"volume": 933.4891131270102,
"volume_molar": 140.54007092946048,
"formula_full": "Mg2 Zn1 Ir1",
"formula_reduced": "Mg2ZnIr",
"formula_anonymous": "ABC2",
"energy": -6.05601468,
"energy_per_atom": -1.51400367,
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"updated_at": "2021-11-28T01:34:38.916000Z",
"spacegroup": 71
},
{
"id": "mp-1094427",
"created_at": "2022-09-04T14:41:53.599534Z",
"structure_string": "Mg3 Zn1\n1.0\n-1.565552 2.612038 5.001405\n1.565552 -2.612038 5.001405\n1.565552 2.612038 -5.001405\nMg Zn\n3 1\ndirect\n0.345328 0.000000 0.345328 Mg\n0.753870 0.758381 0.995490 Mg\n0.237109 0.241619 0.995490 Mg\n0.830359 0.500000 0.330359 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Zn"
],
"chemical_system": "Mg-Zn",
"density": 2.8076801609738333,
"density_atomic": 0.04889461017404646,
"volume": 81.80860806051017,
"volume_molar": 12.316573828001571,
"formula_full": "Mg3 Zn1",
"formula_reduced": "Mg3Zn",
"formula_anonymous": "AB3",
"energy": -6.05677028,
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"energy_above_hull": null,
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"total_magnetization": 1.26e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.994000Z",
"spacegroup": 44
},
{
"id": "mp-1222288",
"created_at": "2022-09-04T14:45:25.035032Z",
"structure_string": "Li1 Zn3\n1.0\n1.399078 -2.423275 0.000000\n1.399078 2.423275 0.000000\n0.000000 0.000000 8.826940\nLi Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Zn\n0.666667 0.333333 0.249384 Zn\n0.666667 0.333333 0.750616 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Zn"
],
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"density": 5.6366309797181255,
"density_atomic": 0.06683057407420415,
"volume": 59.85284512981544,
"volume_molar": 9.011056456455727,
"formula_full": "Li1 Zn3",
"formula_reduced": "LiZn3",
"formula_anonymous": "AB3",
"energy": -6.05760938,
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"updated_at": "2021-11-28T01:37:06.555000Z",
"spacegroup": 187
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{
"id": "mp-30489",
"created_at": "2022-09-04T14:41:01.071549Z",
"structure_string": "La4 Cd34\n1.0\n5.101260 -8.835641 0.000000\n5.101260 8.835641 0.000000\n0.000000 0.000000 10.035426\nLa Cd\n4 34\ndirect\n0.000000 0.000000 0.250000 La\n0.000000 0.000000 0.750000 La\n0.333333 0.666667 0.750000 La\n0.666667 0.333333 0.250000 La\n0.333333 0.666667 0.098542 Cd\n0.666667 0.333333 0.598542 Cd\n0.666667 0.333333 0.901458 Cd\n0.333333 0.666667 0.401458 Cd\n0.500000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.500000 Cd\n0.000000 0.500000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.038639 0.672700 0.250000 Cd\n0.365939 0.038639 0.750000 Cd\n0.672700 0.634061 0.750000 Cd\n0.327300 0.365939 0.250000 Cd\n0.634061 0.961361 0.250000 Cd\n0.365939 0.327300 0.750000 Cd\n0.961361 0.634061 0.750000 Cd\n0.961361 0.327300 0.750000 Cd\n0.672700 0.038639 0.750000 Cd\n0.327300 0.961361 0.250000 Cd\n0.634061 0.672700 0.250000 Cd\n0.038639 0.365939 0.250000 Cd\n0.160192 0.320385 0.971330 Cd\n0.839808 0.160192 0.471330 Cd\n0.320385 0.160192 0.471330 Cd\n0.679615 0.839808 0.971330 Cd\n0.160192 0.839808 0.971330 Cd\n0.839808 0.679615 0.028670 Cd\n0.839808 0.160192 0.028670 Cd\n0.839808 0.679615 0.471330 Cd\n0.320385 0.160192 0.028670 Cd\n0.679615 0.839808 0.528670 Cd\n0.160192 0.320385 0.528670 Cd\n0.160192 0.839808 0.528670 Cd\n",
"nsites": 38,
"nelements": 2,
"elements": [
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"Cd"
],
"chemical_system": "Cd-La",
"density": 8.035324776085892,
"density_atomic": 0.04200512362241702,
"volume": 904.6515454062468,
"volume_molar": 14.33668143470513,
"formula_full": "La4 Cd34",
"formula_reduced": "La2Cd17",
"formula_anonymous": "A2B17",
"energy": -57.560585630000006,
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"updated_at": "2021-11-28T01:35:09.588000Z",
"spacegroup": 194
},
{
"id": "mp-677",
"created_at": "2022-09-04T14:45:16.612085Z",
"structure_string": "Sr2 Cd4\n1.0\n-2.574761 4.065740 4.309836\n2.574761 -4.065740 4.309836\n2.574761 4.065740 -4.309836\nSr Cd\n2 4\ndirect\n0.795813 0.545813 0.250000 Sr\n0.204187 0.454187 0.750000 Sr\n0.609404 0.164557 0.444848 Cd\n0.390596 0.835443 0.555152 Cd\n0.780291 0.835443 0.944848 Cd\n0.219709 0.164557 0.055152 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Cd"
],
"chemical_system": "Cd-Sr",
"density": 5.74978018328299,
"density_atomic": 0.03324711685505287,
"volume": 180.4667762969686,
"volume_molar": 18.11327215606294,
"formula_full": "Sr2 Cd4",
"formula_reduced": "SrCd2",
"formula_anonymous": "AB2",
"energy": -9.09186258,
"energy_per_atom": -1.5153104300000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.09186258,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001101,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:54.465000Z",
"spacegroup": 74
},
{
"id": "mp-1096652",
"created_at": "2022-09-04T14:41:31.743730Z",
"structure_string": "Ca1 Tl1 Ag2\n1.0\n-5.848400 6.306502 8.917205\n5.848400 -6.306502 8.917205\n5.848400 6.306502 -8.917205\nCa Tl Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.249996 0.249996 Ag\n0.000000 0.750004 0.750004 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"Ag"
],
"chemical_system": "Ag-Ca-Tl",
"density": 0.5808703285431025,
"density_atomic": 0.0030405044466783483,
"volume": 1315.5711725302258,
"volume_molar": 198.06386951938163,
"formula_full": "Ca1 Tl1 Ag2",
"formula_reduced": "CaTlAg2",
"formula_anonymous": "ABC2",
"energy": -6.06431635,
"energy_per_atom": -1.5160790875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.06431635,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.9e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.615000Z",
"spacegroup": 71
}
]
}