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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=1727",
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"results": [
{
"id": "mp-1225455",
"created_at": "2022-09-04T14:43:51.740171Z",
"structure_string": "Dy2 Ga3 Co1\n1.0\n2.149806 5.146227 0.000000\n-2.149806 5.146227 0.000000\n0.000000 4.728162 5.236633\nDy Ga Co\n2 3 1\ndirect\n0.456361 0.456361 0.297205 Dy\n0.543559 0.543559 0.707063 Dy\n0.147646 0.147646 0.317756 Ga\n0.178958 0.178958 0.872618 Ga\n0.834946 0.834946 0.097700 Ga\n0.838530 0.838530 0.707658 Co\n",
"nsites": 6,
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"elements": [
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"Ga",
"Co"
],
"chemical_system": "Co-Dy-Ga",
"density": 8.499791747127654,
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"volume": 115.86982300084343,
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"formula_full": "Dy2 Ga3 Co1",
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"spacegroup": 8
},
{
"id": "mp-1045940",
"created_at": "2022-09-04T14:42:04.974791Z",
"structure_string": "Ca4 Ta4 Sn2 O16\n1.0\n3.386222 10.165473 0.000000\n-3.386222 10.165473 0.000000\n0.000000 0.020483 5.501747\nCa Ta Sn O\n4 4 2 16\ndirect\n0.568549 0.863224 0.249853 Ca\n0.136776 0.431451 0.250147 Ca\n0.431451 0.136776 0.750147 Ca\n0.863224 0.568549 0.749853 Ca\n0.734240 0.019564 0.253947 Ta\n0.980436 0.265760 0.246053 Ta\n0.265760 0.980436 0.746053 Ta\n0.019564 0.734240 0.753947 Ta\n0.313960 0.686040 0.250000 Sn\n0.686040 0.313960 0.750000 Sn\n0.825142 0.018232 0.931636 O\n0.981768 0.174858 0.568364 O\n0.174858 0.981768 0.068364 O\n0.018232 0.825142 0.431636 O\n0.601978 0.258856 0.393169 O\n0.741144 0.398022 0.106831 O\n0.398022 0.741144 0.606831 O\n0.258856 0.601978 0.893169 O\n0.734723 0.890544 0.526631 O\n0.109456 0.265277 0.973369 O\n0.141863 0.478499 0.645111 O\n0.521501 0.858137 0.854889 O\n0.858137 0.521501 0.354889 O\n0.478499 0.141863 0.145111 O\n0.890544 0.734723 0.026631 O\n0.265277 0.109456 0.473369 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ca",
"Ta",
"Sn",
"O"
],
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"density": 6.039089479860079,
"density_atomic": 0.06864354735417393,
"volume": 378.76830382687166,
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"formula_full": "Ca4 Ta4 Sn2 O16",
"formula_reduced": "Ca2Ta2SnO8",
"formula_anonymous": "AB2C2D8",
"energy": -223.22365778,
"energy_per_atom": -8.585525299230769,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.785000Z",
"spacegroup": 15
},
{
"id": "mp-568428",
"created_at": "2022-09-04T14:44:09.369058Z",
"structure_string": "K1 Na1 B2 H8\n1.0\n7.522904 -2.265586 0.000000\n7.522904 2.265586 0.000000\n6.840604 0.000000 3.864337\nK Na B H\n1 1 2 8\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Na\n0.255788 0.255788 0.255788 B\n0.744212 0.744212 0.744212 B\n0.799717 0.799717 0.799717 H\n0.014780 0.528360 0.635011 H\n0.985220 0.471640 0.364989 H\n0.471640 0.364989 0.985220 H\n0.528360 0.635011 0.014780 H\n0.200283 0.200283 0.200283 H\n0.635011 0.014780 0.528360 H\n0.364989 0.985220 0.471640 H\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Na",
"B",
"H"
],
"chemical_system": "B-H-K-Na",
"density": 1.156899820791312,
"density_atomic": 0.09109828162665108,
"volume": 131.7258655786693,
"volume_molar": 6.610597535396545,
"formula_full": "K1 Na1 B2 H8",
"formula_reduced": "KNa(BH4)2",
"formula_anonymous": "ABC2D8",
"energy": -48.53842767,
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"energy_uncorrected": -47.10642767,
"band_gap": 6.1608,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.605000Z",
"spacegroup": 148
},
{
"id": "mp-971827",
"created_at": "2022-09-04T14:40:10.065256Z",
"structure_string": "Zn2 Cu1 Pt1\n1.0\n0.000000 3.035616 3.035616\n3.035616 0.000000 3.035616\n3.035616 3.035616 0.000000\nZn Cu Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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"Cu",
"Pt"
],
"chemical_system": "Cu-Pt-Zn",
"density": 11.559208036592024,
"density_atomic": 0.07149727603637614,
"volume": 55.946187347961256,
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"formula_full": "Zn2 Cu1 Pt1",
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"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.840000Z",
"spacegroup": 225
},
{
"id": "mp-35822",
"created_at": "2022-09-04T14:40:54.221663Z",
"structure_string": "Li8 Si2 O8\n1.0\n5.232395 0.000000 0.000000\n0.031993 5.388907 0.000000\n0.015504 0.154939 6.141125\nLi Si O\n8 2 8\ndirect\n0.830847 0.198787 0.990403 Li\n0.800371 0.175883 0.535728 Li\n0.816935 0.655800 0.761177 Li\n0.387193 0.846519 0.554261 Li\n0.406605 0.294972 0.229093 Li\n0.192640 0.802459 0.972438 Li\n0.083698 0.526675 0.424889 Li\n0.062287 0.998478 0.276773 Li\n0.670681 0.686936 0.246335 Si\n0.322468 0.319779 0.753186 Si\n0.809980 0.832827 0.042046 O\n0.766828 0.828453 0.468873 O\n0.766370 0.391797 0.264753 O\n0.634476 0.336213 0.761281 O\n0.352571 0.692432 0.248533 O\n0.197118 0.601264 0.725636 O\n0.228400 0.181033 0.522286 O\n0.216331 0.172594 0.974810 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Si",
"O"
],
"chemical_system": "Li-O-Si",
"density": 2.2985686267275303,
"density_atomic": 0.10394972793927447,
"volume": 173.16062636080463,
"volume_molar": 5.793320366858511,
"formula_full": "Li8 Si2 O8",
"formula_reduced": "Li4SiO4",
"formula_anonymous": "AB4C4",
"energy": -113.30779915,
"energy_per_atom": -6.294877730555555,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:59.830000Z",
"spacegroup": 1
},
{
"id": "mp-530722",
"created_at": "2022-09-04T14:44:12.330020Z",
"structure_string": "Mg14 Al28 O56\n1.0\n2.884448 5.003444 0.000000\n-2.884448 5.003444 0.000000\n0.000000 3.313422 33.043490\nMg Al O\n14 28 56\ndirect\n0.000000 0.500000 0.000000 Mg\n0.806448 0.806448 0.087198 Mg\n0.500000 0.000000 0.000000 Mg\n0.089307 0.089307 0.232560 Mg\n0.375135 0.375135 0.374861 Mg\n0.768186 0.768186 0.195534 Mg\n0.660819 0.660819 0.517820 Mg\n0.053528 0.053528 0.339268 Mg\n0.946472 0.946472 0.660732 Mg\n0.339181 0.339181 0.482180 Mg\n0.231814 0.231814 0.804466 Mg\n0.624865 0.624865 0.625139 Mg\n0.910693 0.910693 0.767440 Mg\n0.193552 0.193552 0.912802 Mg\n0.522065 0.522065 0.944822 Al\n0.857576 0.857576 0.927040 Al\n0.000000 0.000000 0.000000 Al\n0.284743 0.788572 0.143251 Al\n0.142424 0.142424 0.072960 Al\n0.284242 0.284242 0.143086 Al\n0.571623 0.071368 0.285530 Al\n0.788572 0.284743 0.143251 Al\n0.477935 0.477935 0.055178 Al\n0.428529 0.428529 0.214196 Al\n0.571525 0.571525 0.285516 Al\n0.714318 0.714318 0.357030 Al\n0.071368 0.571623 0.285530 Al\n0.857159 0.857159 0.428537 Al\n0.142958 0.642797 0.571452 Al\n0.642797 0.142958 0.571452 Al\n0.357203 0.857042 0.428548 Al\n0.000000 0.000000 0.500000 Al\n0.142841 0.142841 0.571463 Al\n0.857042 0.357203 0.428548 Al\n0.428377 0.928632 0.714470 Al\n0.285682 0.285682 0.642970 Al\n0.715257 0.211428 0.856749 Al\n0.428475 0.428475 0.714484 Al\n0.571471 0.571471 0.785804 Al\n0.928632 0.428377 0.714470 Al\n0.715758 0.715758 0.856914 Al\n0.211428 0.715257 0.856749 Al\n0.689106 0.689106 0.959498 O\n0.836005 0.836005 0.028684 O\n0.168313 0.695180 0.961326 O\n0.695180 0.168313 0.961326 O\n0.304820 0.831687 0.038674 O\n0.981033 0.981033 0.110784 O\n0.163995 0.163995 0.971316 O\n0.831687 0.304820 0.038674 O\n0.109535 0.109535 0.173613 O\n0.430035 0.978477 0.110481 O\n0.310894 0.310894 0.040502 O\n0.978477 0.430035 0.110481 O\n0.588797 0.146811 0.176215 O\n0.267809 0.267809 0.251852 O\n0.146811 0.588797 0.176215 O\n0.463363 0.463363 0.110647 O\n0.712852 0.267427 0.251874 O\n0.394938 0.394938 0.315485 O\n0.267427 0.712852 0.251874 O\n0.588419 0.588419 0.176381 O\n0.875604 0.429813 0.319292 O\n0.553324 0.553324 0.394721 O\n0.429813 0.875604 0.319292 O\n0.748135 0.748135 0.255378 O\n0.680645 0.680645 0.458411 O\n0.998895 0.553041 0.394752 O\n0.875331 0.875331 0.319333 O\n0.553041 0.998895 0.394752 O\n0.161320 0.715422 0.462311 O\n0.839018 0.839018 0.537646 O\n0.966341 0.966341 0.601325 O\n0.715422 0.161320 0.462311 O\n0.033659 0.033659 0.398675 O\n0.284578 0.838680 0.537689 O\n0.160982 0.160982 0.462354 O\n0.838680 0.284578 0.537689 O\n0.446959 0.001105 0.605248 O\n0.124669 0.124669 0.680667 O\n0.001105 0.446959 0.605248 O\n0.251865 0.251865 0.744622 O\n0.319355 0.319355 0.541589 O\n0.570187 0.124396 0.680708 O\n0.446676 0.446676 0.605279 O\n0.124396 0.570187 0.680708 O\n0.732573 0.287148 0.748126 O\n0.411581 0.411581 0.823619 O\n0.287148 0.732573 0.748126 O\n0.605062 0.605062 0.684515 O\n0.536637 0.536637 0.889353 O\n0.853189 0.411203 0.823785 O\n0.411203 0.853189 0.823785 O\n0.732191 0.732191 0.748148 O\n0.021523 0.569965 0.889519 O\n0.890465 0.890465 0.826387 O\n0.569965 0.021523 0.889519 O\n0.018967 0.018967 0.889216 O\n",
"nsites": 98,
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"elements": [
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"Al",
"O"
],
"chemical_system": "Al-Mg-O",
"density": 3.467604876256724,
"density_atomic": 0.10274919121860983,
"volume": 953.7787970660964,
"volume_molar": 5.861010377383171,
"formula_full": "Mg14 Al28 O56",
"formula_reduced": "MgAl2O4",
"formula_anonymous": "AB2C4",
"energy": -734.29516475,
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"updated_at": "2021-11-28T01:36:29.792000Z",
"spacegroup": 12
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{
"id": "mp-28266",
"created_at": "2022-09-04T14:42:24.971052Z",
"structure_string": "P4 Pd2\n1.0\n2.950189 3.470757 0.000000\n-2.950189 3.470757 0.000000\n0.000000 3.125567 5.027339\nP Pd\n4 2\ndirect\n0.689830 0.938236 0.333714 P\n0.061764 0.310170 0.166286 P\n0.938236 0.689830 0.833714 P\n0.310170 0.061764 0.666286 P\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.000000 Pd\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "P-Pd",
"density": 5.431192598644359,
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"volume": 102.95376054920138,
"volume_molar": 10.333367296643758,
"formula_full": "P4 Pd2",
"formula_reduced": "P2Pd",
"formula_anonymous": "AB2",
"energy": -34.59018968,
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"energy_uncorrected": -34.59018968,
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"updated_at": "2021-11-28T01:35:45.920000Z",
"spacegroup": 15
},
{
"id": "mp-978267",
"created_at": "2022-09-04T14:44:01.153005Z",
"structure_string": "Mg2 Zn1 Rh1\n1.0\n0.000000 3.184939 3.184939\n3.184939 0.000000 3.184939\n3.184939 3.184939 0.000000\nMg Zn Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
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"Zn",
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],
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"density": 5.574736574658169,
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"volume": 64.61500053475785,
"volume_molar": 9.728015710694676,
"formula_full": "Mg2 Zn1 Rh1",
"formula_reduced": "Mg2ZnRh",
"formula_anonymous": "ABC2",
"energy": -13.16763167,
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"updated_at": "2021-11-28T01:36:19.636000Z",
"spacegroup": 225
},
{
"id": "mp-772042",
"created_at": "2022-09-04T14:43:24.297979Z",
"structure_string": "Li4 Ti4 V4 O16\n1.0\n5.995469 -0.000070 -0.000095\n-2.997796 5.232207 0.053554\n-2.997870 -1.642463 9.731731\nLi Ti V O\n4 4 4 16\ndirect\n0.371663 0.682557 0.560774 Li\n0.371544 0.182249 0.060832 Li\n0.628365 0.817479 0.939225 Li\n0.628494 0.317786 0.439162 Li\n0.000030 0.750035 0.750001 Ti\n0.999968 0.249974 0.249984 Ti\n0.000569 0.001045 0.500070 Ti\n0.999469 0.499011 0.999929 Ti\n0.999921 0.249982 0.750017 V\n0.500115 0.249982 0.750001 V\n0.999980 0.749945 0.249978 V\n0.499789 0.749819 0.250052 V\n0.785451 0.883701 0.628077 O\n0.785014 0.382927 0.127792 O\n0.226336 0.883695 0.628095 O\n0.225653 0.382894 0.127789 O\n0.773701 0.616339 0.871896 O\n0.774341 0.117091 0.372209 O\n0.214573 0.616334 0.871915 O\n0.215002 0.117100 0.372195 O\n0.231259 0.107217 0.855304 O\n0.231167 0.607345 0.355057 O\n0.230957 0.335633 0.626246 O\n0.230802 0.835199 0.126389 O\n0.768780 0.392823 0.644685 O\n0.768776 0.892653 0.144958 O\n0.769069 0.164380 0.873756 O\n0.769214 0.664805 0.373611 O\n",
"nsites": 28,
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"V",
"O"
],
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"volume": 305.8032503808621,
"volume_molar": 6.577107923782412,
"formula_full": "Li4 Ti4 V4 O16",
"formula_reduced": "LiTiVO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 74
},
{
"id": "mp-1214864",
"created_at": "2022-09-04T14:42:02.368232Z",
"structure_string": "Al4 Ga4 Bi4 O18\n1.0\n0.000000 0.000000 5.846570\n7.944061 0.000000 0.000000\n0.000000 8.312155 0.000000\nAl Ga Bi O\n4 4 4 18\ndirect\n0.241553 0.000000 0.500000 Al\n0.758447 0.000000 0.500000 Al\n0.758447 0.500000 0.000000 Al\n0.241553 0.500000 0.000000 Al\n0.000000 0.152710 0.163701 Ga\n0.000000 0.847290 0.836299 Ga\n0.000000 0.347290 0.663701 Ga\n0.000000 0.652710 0.336299 Ga\n0.500000 0.328842 0.332905 Bi\n0.500000 0.671158 0.667095 Bi\n0.500000 0.171158 0.832905 Bi\n0.500000 0.828842 0.167095 Bi\n0.500000 0.359002 0.069000 O\n0.500000 0.640998 0.931000 O\n0.500000 0.140998 0.569000 O\n0.500000 0.859002 0.431000 O\n0.255013 0.127144 0.299062 O\n0.744987 0.872856 0.700938 O\n0.255013 0.872856 0.700938 O\n0.744987 0.372856 0.799062 O\n0.744987 0.127144 0.299062 O\n0.255013 0.627144 0.200938 O\n0.744987 0.627144 0.200938 O\n0.255013 0.372856 0.799062 O\n0.000000 0.371293 0.087382 O\n0.000000 0.628707 0.912618 O\n0.000000 0.128707 0.587382 O\n0.000000 0.871293 0.412618 O\n0.000000 0.000000 0.000000 O\n0.000000 0.500000 0.500000 O\n",
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"elements": [
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],
"chemical_system": "Al-Bi-Ga-O",
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"volume_molar": 7.749737724186768,
"formula_full": "Al4 Ga4 Bi4 O18",
"formula_reduced": "Al2Ga2Bi2O9",
"formula_anonymous": "A2B2C2D9",
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"energy_per_atom": -6.859021493,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"updated_at": "2021-11-28T01:35:33.898000Z",
"spacegroup": 55
},
{
"id": "mp-1228363",
"created_at": "2022-09-04T14:46:10.829985Z",
"structure_string": "Ba2 Tl2 Cu1 O6\n1.0\n-2.749418 -2.773878 -0.009889\n-2.749418 2.773878 0.009889\n-2.749418 -0.039125 -11.950761\nBa Tl Cu O\n2 2 1 6\ndirect\n0.417017 0.421109 0.161874 Ba\n0.582983 0.578891 0.838126 Ba\n0.777078 0.819702 0.403221 Tl\n0.222922 0.180298 0.596779 Tl\n0.000000 0.000000 0.000000 Cu\n0.887415 0.878988 0.233597 O\n0.112585 0.121012 0.766403 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.690152 0.732238 0.577609 O\n0.309848 0.267762 0.422391 O\n",
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"nelements": 4,
"elements": [
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"Cu",
"O"
],
"chemical_system": "Ba-Cu-O-Tl",
"density": 7.679076505761754,
"density_atomic": 0.06034538598317609,
"volume": 182.28402753222474,
"volume_molar": 9.979455200897934,
"formula_full": "Ba2 Tl2 Cu1 O6",
"formula_reduced": "Ba2Tl2CuO6",
"formula_anonymous": "AB2C2D6",
"energy": -61.94260188,
"energy_per_atom": -5.631145625454545,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -57.82060188,
"band_gap": 0.0,
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"total_magnetization": 0.0001148,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.049000Z",
"spacegroup": 12
},
{
"id": "mp-867921",
"created_at": "2022-09-04T14:47:10.040441Z",
"structure_string": "Sm2 Zn1 Ru1\n1.0\n0.000000 3.552597 3.552597\n3.552597 0.000000 3.552597\n3.552597 3.552597 0.000000\nSm Zn Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750000 0.750000 Sm\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ru-Sm-Zn",
"density": 8.65133585491806,
"density_atomic": 0.04460588511392874,
"volume": 89.67426584594216,
"volume_molar": 13.500776286848103,
"formula_full": "Sm2 Zn1 Ru1",
"formula_reduced": "Sm2ZnRu",
"formula_anonymous": "ABC2",
"energy": -21.07981558,
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"formation_energy": null,
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"energy_uncorrected": -21.07981558,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:48.597000Z",
"spacegroup": 225
}
]
}