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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=146",
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"results": [
{
"id": "mp-1028263",
"created_at": "2022-09-04T14:46:19.083993Z",
"structure_string": "Rb1 Mg14 Sn1\n1.0\n6.524829 0.000000 0.000000\n-3.262414 5.650667 0.000000\n0.000000 -0.000000 10.973098\nRb Mg Sn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Rb\n0.162632 0.831315 0.125000 Mg\n0.172924 0.836461 0.625000 Mg\n0.668685 0.337368 0.125000 Mg\n0.663539 0.327076 0.625000 Mg\n0.668685 0.831315 0.125000 Mg\n0.663539 0.836461 0.625000 Mg\n0.338378 0.161622 0.363139 Mg\n0.338378 0.161622 0.886861 Mg\n0.338378 0.676756 0.363139 Mg\n0.338378 0.676756 0.886861 Mg\n0.823244 0.161622 0.363139 Mg\n0.823244 0.161622 0.886861 Mg\n0.833333 0.666667 0.381841 Mg\n0.833333 0.666667 0.868159 Mg\n0.166667 0.333333 0.125000 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
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],
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"density": 2.234638299601326,
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"volume": 404.57412807509684,
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"formula_full": "Rb1 Mg14 Sn1",
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"updated_at": "2021-11-28T01:37:29.684000Z",
"spacegroup": 187
},
{
"id": "mp-980947",
"created_at": "2022-09-04T14:40:43.795365Z",
"structure_string": "Sr1 Ca1 Hg2\n1.0\n0.000000 3.922430 3.922430\n3.922430 0.000000 3.922430\n3.922430 3.922430 0.000000\nSr Ca Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ca\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
"Sr",
"Ca",
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"density_atomic": 0.03314090700221892,
"volume": 120.69675702394579,
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"formula_full": "Sr1 Ca1 Hg2",
"formula_reduced": "SrCaHg2",
"formula_anonymous": "ABC2",
"energy": -6.39255594,
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"updated_at": "2021-11-28T01:35:10.348000Z",
"spacegroup": 225
},
{
"id": "mp-1027836",
"created_at": "2022-09-04T14:39:12.252928Z",
"structure_string": "K1 Mg14 Cu1\n1.0\n6.460532 -0.000000 0.000000\n-3.230266 5.594985 -0.000000\n-0.000000 0.000000 10.456040\nK Mg Cu\n1 14 1\ndirect\n0.166667 0.333333 0.625000 K\n0.158388 0.829194 0.125000 Mg\n0.173941 0.836970 0.625000 Mg\n0.670806 0.341612 0.125000 Mg\n0.663030 0.326059 0.625000 Mg\n0.670806 0.829194 0.125000 Mg\n0.663030 0.836970 0.625000 Mg\n0.332021 0.167979 0.351492 Mg\n0.332021 0.167979 0.898508 Mg\n0.332021 0.664044 0.351492 Mg\n0.332021 0.664044 0.898508 Mg\n0.835956 0.167979 0.351492 Mg\n0.835956 0.167979 0.898508 Mg\n0.833333 0.666667 0.380718 Mg\n0.833333 0.666667 0.869282 Mg\n0.166667 0.333333 0.125000 Cu\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Mg",
"Cu"
],
"chemical_system": "Cu-K-Mg",
"density": 1.945961999662696,
"density_atomic": 0.0423336327759284,
"volume": 377.9500824955864,
"volume_molar": 14.225428731512707,
"formula_full": "K1 Mg14 Cu1",
"formula_reduced": "KMg14Cu",
"formula_anonymous": "ABC14",
"energy": -25.57135155,
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"energy_uncorrected": -25.57135155,
"band_gap": 0.0,
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"total_magnetization": 1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.744000Z",
"spacegroup": 187
},
{
"id": "mp-1227922",
"created_at": "2022-09-04T14:41:33.246601Z",
"structure_string": "Er12 Cd72\n1.0\n-7.798123 7.856175 7.960949\n7.798123 -7.856175 7.960949\n7.798123 7.856175 -7.960949\nEr Cd\n12 72\ndirect\n0.807245 0.509400 0.702155 Er\n0.192755 0.490600 0.297845 Er\n0.192755 0.894910 0.702155 Er\n0.807245 0.105090 0.297845 Er\n0.108606 0.302091 0.806515 Er\n0.891394 0.697909 0.193485 Er\n0.495576 0.302091 0.193485 Er\n0.504424 0.697909 0.806515 Er\n0.301224 0.189745 0.490969 Er\n0.698776 0.810255 0.509031 Er\n0.301224 0.810255 0.111480 Er\n0.698776 0.189745 0.888520 Er\n0.999709 0.678280 0.001835 Cd\n0.323555 0.321720 0.321429 Cd\n0.000291 0.002126 0.678571 Cd\n0.676445 0.997874 0.998165 Cd\n0.000291 0.321720 0.998165 Cd\n0.676445 0.678280 0.678571 Cd\n0.999709 0.997874 0.321429 Cd\n0.323555 0.002126 0.001835 Cd\n0.595773 0.249052 0.653278 Cd\n0.404227 0.750948 0.346722 Cd\n0.404227 0.057505 0.653278 Cd\n0.595773 0.942495 0.346722 Cd\n0.941225 0.346604 0.594621 Cd\n0.058775 0.653396 0.405379 Cd\n0.751984 0.346604 0.405379 Cd\n0.248016 0.653396 0.594621 Cd\n0.344959 0.404071 0.749030 Cd\n0.655041 0.595929 0.250970 Cd\n0.344959 0.595929 0.940888 Cd\n0.655041 0.404071 0.059112 Cd\n0.741835 0.647365 0.905530 Cd\n0.258165 0.352635 0.094470 Cd\n0.258165 0.163694 0.905530 Cd\n0.741835 0.836306 0.094470 Cd\n0.856699 0.090654 0.766046 Cd\n0.143301 0.909346 0.233954 Cd\n0.324608 0.090654 0.233954 Cd\n0.675392 0.909346 0.766046 Cd\n0.095375 0.241053 0.336429 Cd\n0.904625 0.758947 0.663571 Cd\n0.095375 0.758947 0.854322 Cd\n0.904625 0.241053 0.145678 Cd\n0.589520 0.589520 0.000000 Cd\n0.410480 0.410480 0.000000 Cd\n0.595212 0.000000 0.595212 Cd\n0.404788 0.000000 0.404788 Cd\n0.000000 0.404347 0.404347 Cd\n0.000000 0.595653 0.595653 Cd\n0.500000 0.309413 0.809413 Cd\n0.500000 0.690587 0.190587 Cd\n0.691348 0.191348 0.500000 Cd\n0.308652 0.808652 0.500000 Cd\n0.188269 0.500000 0.688269 Cd\n0.811731 0.500000 0.311731 Cd\n0.778463 0.455015 0.918601 Cd\n0.463586 0.544985 0.323448 Cd\n0.221537 0.140138 0.676552 Cd\n0.536414 0.859862 0.081399 Cd\n0.860300 0.084129 0.542692 Cd\n0.139700 0.682392 0.223829 Cd\n0.541437 0.317608 0.457308 Cd\n0.458563 0.915871 0.776171 Cd\n0.318886 0.459621 0.540412 Cd\n0.919208 0.778474 0.459588 Cd\n0.080792 0.540379 0.859265 Cd\n0.681114 0.221526 0.140735 Cd\n0.221537 0.544985 0.081399 Cd\n0.536414 0.455015 0.676552 Cd\n0.778463 0.859862 0.323448 Cd\n0.463586 0.140138 0.918601 Cd\n0.139700 0.915871 0.457308 Cd\n0.860300 0.317608 0.776171 Cd\n0.458563 0.682392 0.542692 Cd\n0.541437 0.084129 0.223829 Cd\n0.681114 0.540379 0.459588 Cd\n0.080792 0.221526 0.540412 Cd\n0.919208 0.459621 0.140735 Cd\n0.318886 0.778474 0.859265 Cd\n0.914754 0.824129 0.909375 Cd\n0.085246 0.175871 0.090625 Cd\n0.085246 0.994621 0.909375 Cd\n0.914754 0.005379 0.090625 Cd\n",
"nsites": 84,
"nelements": 2,
"elements": [
"Er",
"Cd"
],
"chemical_system": "Cd-Er",
"density": 8.597545972192345,
"density_atomic": 0.04305793749396077,
"volume": 1950.8598156096466,
"volume_molar": 13.986133824558259,
"formula_full": "Er12 Cd72",
"formula_reduced": "ErCd6",
"formula_anonymous": "AB6",
"energy": -134.25585829,
"energy_per_atom": -1.5982840272619048,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.631000Z",
"spacegroup": 71
},
{
"id": "mp-1023143",
"created_at": "2022-09-04T14:43:12.999871Z",
"structure_string": "Ca2 Mg12 Cd2\n1.0\n5.201637 0.000000 0.000000\n0.000000 6.629842 0.000000\n0.000000 0.000000 11.442987\nCa Mg Cd\n2 12 2\ndirect\n0.000000 0.500000 0.330959 Ca\n0.000000 0.000000 0.830959 Ca\n0.000000 0.253289 0.081643 Mg\n0.000000 0.746711 0.081643 Mg\n0.000000 0.500000 0.836008 Mg\n0.500000 0.256953 0.919391 Mg\n0.500000 0.743047 0.919391 Mg\n0.500000 0.500000 0.666952 Mg\n0.000000 0.753289 0.581643 Mg\n0.000000 0.246711 0.581643 Mg\n0.000000 0.000000 0.336008 Mg\n0.500000 0.756953 0.419391 Mg\n0.500000 0.243047 0.419391 Mg\n0.500000 0.000000 0.166952 Mg\n0.500000 0.500000 0.164012 Cd\n0.500000 0.000000 0.664012 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Cd"
],
"chemical_system": "Ca-Cd-Mg",
"density": 2.510599183139686,
"density_atomic": 0.04054500498602657,
"volume": 394.623209579435,
"volume_molar": 14.852978220314611,
"formula_full": "Ca2 Mg12 Cd2",
"formula_reduced": "CaMg6Cd",
"formula_anonymous": "ABC6",
"energy": -25.57389806,
"energy_per_atom": -1.59836862875,
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"updated_at": "2021-11-28T01:35:56.355000Z",
"spacegroup": 38
},
{
"id": "mp-1028206",
"created_at": "2022-09-04T14:40:01.087398Z",
"structure_string": "K1 Mg14 Al1\n1.0\n6.473090 0.000000 -0.000000\n-3.236545 5.605860 0.000000\n-0.000000 0.000000 10.622411\nK Mg Al\n1 14 1\ndirect\n0.166667 0.333333 0.625000 K\n0.163621 0.831810 0.125000 Mg\n0.174867 0.837433 0.625000 Mg\n0.668190 0.336379 0.125000 Mg\n0.662567 0.325133 0.625000 Mg\n0.668190 0.831810 0.125000 Mg\n0.662567 0.837433 0.625000 Mg\n0.336210 0.163790 0.359206 Mg\n0.336210 0.163790 0.890794 Mg\n0.336210 0.672421 0.359206 Mg\n0.336210 0.672421 0.890794 Mg\n0.827579 0.163790 0.359206 Mg\n0.827579 0.163790 0.890794 Mg\n0.833333 0.666667 0.380978 Mg\n0.833333 0.666667 0.869022 Mg\n0.166667 0.333333 0.125000 Al\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mg",
"Al"
],
"chemical_system": "Al-K-Mg",
"density": 1.7505406296938824,
"density_atomic": 0.04150906861173267,
"volume": 385.4579381113251,
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"formula_full": "K1 Mg14 Al1",
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"energy": -25.58478492,
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"updated_at": "2021-11-28T01:34:54.048000Z",
"spacegroup": 187
},
{
"id": "mp-1093900",
"created_at": "2022-09-04T14:48:04.696784Z",
"structure_string": "Zn2 Ag1 Pt1\n1.0\n-4.915330 5.411231 7.648736\n4.915330 -5.411231 7.648736\n4.915330 5.411231 -7.648736\nZn Ag Pt\n2 1 1\ndirect\n0.000000 0.256417 0.256417 Zn\n0.000000 0.743583 0.743583 Zn\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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],
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"density": 0.8851367921546309,
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"volume": 813.7638943620618,
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"formula_full": "Zn2 Ag1 Pt1",
"formula_reduced": "Zn2AgPt",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:28.473000Z",
"spacegroup": 71
},
{
"id": "mp-975176",
"created_at": "2022-09-04T14:42:08.758051Z",
"structure_string": "Rb2 Hg1 Au1\n1.0\n0.000000 4.321214 4.321214\n4.321214 0.000000 4.321214\n4.321214 4.321214 0.000000\nRb Hg Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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],
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"density": 5.8496012841698635,
"density_atomic": 0.024786355384481235,
"volume": 161.37911112597072,
"volume_molar": 24.29619307310695,
"formula_full": "Rb2 Hg1 Au1",
"formula_reduced": "Rb2HgAu",
"formula_anonymous": "ABC2",
"energy": -6.39886697,
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"updated_at": "2021-11-28T01:35:36.265000Z",
"spacegroup": 225
},
{
"id": "mp-1026799",
"created_at": "2022-09-04T14:39:34.601711Z",
"structure_string": "Li1 Mg14 Cd1\n1.0\n6.350353 -0.000000 0.000000\n-3.175176 5.499566 -0.000000\n-0.000000 0.000000 10.305929\nLi Mg Cd\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Li\n0.166678 0.833339 0.125000 Mg\n0.165615 0.832807 0.625000 Mg\n0.666661 0.333322 0.125000 Mg\n0.667193 0.334385 0.625000 Mg\n0.666661 0.833339 0.125000 Mg\n0.667193 0.832807 0.625000 Mg\n0.332580 0.167420 0.375294 Mg\n0.332580 0.167420 0.874706 Mg\n0.332580 0.665161 0.375294 Mg\n0.332580 0.665161 0.874706 Mg\n0.834839 0.167420 0.375294 Mg\n0.834839 0.167420 0.874706 Mg\n0.833333 0.666667 0.374150 Mg\n0.833333 0.666667 0.875850 Mg\n0.166667 0.333333 0.625000 Cd\n",
"nsites": 16,
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"elements": [
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"Mg",
"Cd"
],
"chemical_system": "Cd-Li-Mg",
"density": 2.1204911968454656,
"density_atomic": 0.04445356043760226,
"volume": 359.9261755975335,
"volume_molar": 13.547038079105146,
"formula_full": "Li1 Mg14 Cd1",
"formula_reduced": "LiMg14Cd",
"formula_anonymous": "ABC14",
"energy": -25.59777845,
"energy_per_atom": -1.599861153125,
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"updated_at": "2021-11-28T01:34:23.462000Z",
"spacegroup": 187
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{
"id": "mp-1056702",
"created_at": "2022-09-04T14:44:07.550735Z",
"structure_string": "Mg1\n1.0\n0.000000 2.252800 2.252800\n2.252800 0.000000 2.252800\n2.252800 2.252800 0.000000\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 1,
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"formula_full": "Mg1",
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"formula_anonymous": "A",
"energy": -1.60028005,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:33.591000Z",
"spacegroup": 225
},
{
"id": "mp-1096502",
"created_at": "2022-09-04T14:42:05.326170Z",
"structure_string": "Ba2 Hg1 Sb1\n1.0\n-6.800591 6.867817 9.496631\n6.800591 -6.867817 9.496631\n6.800591 6.867817 -9.496631\nBa Hg Sb\n2 1 1\ndirect\n0.224088 0.000000 0.224088 Ba\n0.775912 0.000000 0.775912 Ba\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"elements": [
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"density": 0.5587678536721203,
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"volume": 1774.1687507638553,
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"formula_full": "Ba2 Hg1 Sb1",
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"formula_anonymous": "ABC2",
"energy": -6.4025225,
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"updated_at": "2021-11-28T01:35:32.285000Z",
"spacegroup": 71
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{
"id": "mp-1026827",
"created_at": "2022-09-04T14:46:57.650316Z",
"structure_string": "K1 Mg14 B1\n1.0\n6.368279 0.000000 -0.000000\n-3.184140 5.515091 -0.000000\n-0.000000 -0.000000 10.580103\nK Mg B\n1 14 1\ndirect\n0.166667 0.333333 0.125000 K\n0.175198 0.837598 0.125000 Mg\n0.157793 0.828896 0.625000 Mg\n0.662402 0.324802 0.125000 Mg\n0.671104 0.342207 0.625000 Mg\n0.662402 0.837598 0.125000 Mg\n0.671104 0.828896 0.625000 Mg\n0.330043 0.169957 0.403264 Mg\n0.330043 0.169957 0.846736 Mg\n0.330043 0.660087 0.403264 Mg\n0.330043 0.660087 0.846736 Mg\n0.839913 0.169957 0.403264 Mg\n0.839913 0.169957 0.846736 Mg\n0.833333 0.666667 0.365859 Mg\n0.833333 0.666667 0.884141 Mg\n0.166667 0.333333 0.625000 B\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Mg",
"B"
],
"chemical_system": "B-K-Mg",
"density": 1.7436072343821967,
"density_atomic": 0.04305814562374811,
"volume": 371.59054966769,
"volume_molar": 13.986066219903753,
"formula_full": "K1 Mg14 B1",
"formula_reduced": "KMg14B",
"formula_anonymous": "ABC14",
"energy": -25.61622931,
"energy_per_atom": -1.601014331875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.61622931,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.22e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.249000Z",
"spacegroup": 187
}
]
}