HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density_atomic&page=1744",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density_atomic&page=1742",
"results": [
{
"id": "mp-1103391",
"created_at": "2022-09-04T14:42:55.875083Z",
"structure_string": "Tb8 Al4\n1.0\n5.133647 0.000000 0.000000\n0.000000 6.573267 0.000000\n0.000000 0.000000 9.441160\nTb Al\n8 4\ndirect\n0.250000 0.807313 0.928026 Tb\n0.250000 0.307313 0.571974 Tb\n0.750000 0.192687 0.071974 Tb\n0.750000 0.692687 0.428026 Tb\n0.250000 0.972534 0.290731 Tb\n0.250000 0.472534 0.209269 Tb\n0.750000 0.027466 0.709269 Tb\n0.750000 0.527466 0.790731 Tb\n0.250000 0.287363 0.896467 Al\n0.250000 0.787363 0.603533 Al\n0.750000 0.712637 0.103533 Al\n0.750000 0.212637 0.396467 Al\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Tb",
"Al"
],
"chemical_system": "Al-Tb",
"density": 7.189262098480403,
"density_atomic": 0.03766592286294171,
"volume": 318.59036200083165,
"volume_molar": 15.988300039569696,
"formula_full": "Tb8 Al4",
"formula_reduced": "Tb2Al",
"formula_anonymous": "AB2",
"energy": -55.44357810999999,
"energy_per_atom": -4.620298175833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.44357810999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.93e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:57.967000Z",
"spacegroup": 62
},
{
"id": "mp-972130",
"created_at": "2022-09-04T14:43:02.796684Z",
"structure_string": "Tl6 Cr2\n1.0\n3.352096 -5.806001 0.000000\n3.352096 5.806001 0.000000\n0.000000 0.000000 5.456342\nTl Cr\n6 2\ndirect\n0.170514 0.829486 0.250000 Tl\n0.829486 0.658971 0.750000 Tl\n0.341029 0.170514 0.750000 Tl\n0.829486 0.170514 0.750000 Tl\n0.170514 0.341029 0.250000 Tl\n0.658971 0.829486 0.250000 Tl\n0.333333 0.666667 0.750000 Cr\n0.666667 0.333333 0.250000 Cr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tl",
"Cr"
],
"chemical_system": "Cr-Tl",
"density": 10.400900536758325,
"density_atomic": 0.03766733143385888,
"volume": 212.38563220352958,
"volume_molar": 15.98770215664055,
"formula_full": "Tl6 Cr2",
"formula_reduced": "Tl3Cr",
"formula_anonymous": "AB3",
"energy": -29.88066934,
"energy_per_atom": -3.7350836675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.88066934,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.8109331,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.125000Z",
"spacegroup": 194
},
{
"id": "mp-1018147",
"created_at": "2022-09-04T14:47:12.453412Z",
"structure_string": "Eu2 Pd2\n1.0\n2.067773 -5.647506 0.000000\n2.067773 5.647506 0.000000\n0.000000 0.000000 4.546752\nEu Pd\n2 2\ndirect\n0.862046 0.137954 0.750000 Eu\n0.137954 0.862046 0.250000 Eu\n0.577110 0.422890 0.750000 Pd\n0.422890 0.577110 0.250000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Eu",
"Pd"
],
"chemical_system": "Eu-Pd",
"density": 8.080791233275505,
"density_atomic": 0.03766770564413911,
"volume": 106.19176112794058,
"volume_molar": 15.987543326618864,
"formula_full": "Eu2 Pd2",
"formula_reduced": "EuPd",
"formula_anonymous": "AB",
"energy": -33.80300083,
"energy_per_atom": -8.4507502075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.80300083,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9980597,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:57.804000Z",
"spacegroup": 63
},
{
"id": "mp-1205021",
"created_at": "2022-09-04T14:47:09.891568Z",
"structure_string": "Pr20 Ir12\n1.0\n11.339726 0.000000 0.000000\n0.000000 11.339726 0.000000\n0.000000 0.000000 6.606425\nPr Ir\n20 12\ndirect\n0.290843 0.088289 0.380375 Pr\n0.290843 0.911711 0.880375 Pr\n0.709157 0.088289 0.880375 Pr\n0.709157 0.911711 0.380375 Pr\n0.588289 0.790843 0.880375 Pr\n0.588289 0.209157 0.380375 Pr\n0.411711 0.790843 0.380375 Pr\n0.411711 0.209157 0.880375 Pr\n0.209157 0.411711 0.619625 Pr\n0.209157 0.588289 0.119625 Pr\n0.790843 0.411711 0.119625 Pr\n0.790843 0.588289 0.619625 Pr\n0.911711 0.709157 0.119625 Pr\n0.911711 0.290843 0.619625 Pr\n0.088289 0.709157 0.619625 Pr\n0.088289 0.290843 0.119625 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.000000 Pr\n0.500000 0.500000 0.500000 Pr\n0.846216 0.153784 0.250000 Ir\n0.846216 0.846216 0.750000 Ir\n0.153784 0.153784 0.750000 Ir\n0.153784 0.846216 0.250000 Ir\n0.653784 0.346216 0.750000 Ir\n0.653784 0.653784 0.250000 Ir\n0.346216 0.346216 0.250000 Ir\n0.346216 0.653784 0.750000 Ir\n0.500000 0.000000 0.114305 Ir\n0.500000 0.000000 0.614305 Ir\n0.000000 0.500000 0.885695 Ir\n0.000000 0.500000 0.385695 Ir\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Pr",
"Ir"
],
"chemical_system": "Ir-Pr",
"density": 10.017301469501014,
"density_atomic": 0.037668501827056194,
"volume": 849.5161327869781,
"volume_molar": 15.987205404793855,
"formula_full": "Pr20 Ir12",
"formula_reduced": "Pr5Ir3",
"formula_anonymous": "A3B5",
"energy": -220.36644377,
"energy_per_atom": -6.8864513678125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -220.36644377,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005484,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:57.520000Z",
"spacegroup": 130
},
{
"id": "mp-556430",
"created_at": "2022-09-04T14:43:41.213801Z",
"structure_string": "Te4 S8 N8 Cl8\n1.0\n4.724240 10.211332 0.000000\n-4.724240 10.211332 0.000000\n0.000000 0.922032 7.704049\nTe S N Cl\n4 8 8 8\ndirect\n0.232565 0.567558 0.699535 Te\n0.432442 0.767435 0.800465 Te\n0.567558 0.232565 0.199535 Te\n0.767435 0.432442 0.300465 Te\n0.099822 0.310214 0.177224 S\n0.842876 0.994967 0.129386 S\n0.994967 0.842876 0.629386 S\n0.310214 0.099822 0.677224 S\n0.900178 0.689786 0.822776 S\n0.689786 0.900178 0.322776 S\n0.005033 0.157124 0.370614 S\n0.157124 0.005033 0.870614 S\n0.920775 0.450593 0.171108 N\n0.549407 0.079225 0.328892 N\n0.450593 0.920775 0.671108 N\n0.859416 0.839230 0.717790 N\n0.140584 0.160770 0.282210 N\n0.839230 0.859416 0.217790 N\n0.160770 0.140584 0.782210 N\n0.079225 0.549407 0.828892 N\n0.659691 0.271659 0.483494 Cl\n0.222232 0.471035 0.426746 Cl\n0.340309 0.728341 0.516506 Cl\n0.528965 0.777768 0.073254 Cl\n0.271659 0.659691 0.983494 Cl\n0.777768 0.528965 0.573254 Cl\n0.728341 0.340309 0.016506 Cl\n0.471035 0.222232 0.926746 Cl\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Te",
"S",
"N",
"Cl"
],
"chemical_system": "Cl-N-S-Te",
"density": 2.5972582740985684,
"density_atomic": 0.037669915869329225,
"volume": 743.2987134117161,
"volume_molar": 15.986605281758052,
"formula_full": "Te4 S8 N8 Cl8",
"formula_reduced": "TeS2(NCl)2",
"formula_anonymous": "AB2C2D2",
"energy": -133.23935279,
"energy_per_atom": -4.758548313928571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.43935279,
"band_gap": 1.9841,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0017913,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:13.189000Z",
"spacegroup": 15
},
{
"id": "mp-4505",
"created_at": "2022-09-04T14:39:49.159624Z",
"structure_string": "La3 Al1 N1\n1.0\n5.100997 0.000000 0.000000\n0.000000 5.100997 0.000000\n0.000000 0.000000 5.100997\nLa Al N\n3 1 1\ndirect\n0.500000 0.500000 0.000000 La\n0.500000 0.000000 0.500000 La\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Al",
"N"
],
"chemical_system": "Al-La-N",
"density": 5.726235649631644,
"density_atomic": 0.037670796248636576,
"volume": 132.7288111193287,
"volume_molar": 15.986231669361011,
"formula_full": "La3 Al1 N1",
"formula_reduced": "La3AlN",
"formula_anonymous": "ABC3",
"energy": -31.06224249,
"energy_per_atom": -6.212448498,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.70124249,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0049534,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.065000Z",
"spacegroup": 221
},
{
"id": "mp-864803",
"created_at": "2022-09-04T14:46:03.599138Z",
"structure_string": "Na1 Ac1 Au2\n1.0\n0.000000 3.758406 3.758406\n3.758406 0.000000 3.758406\n3.758406 3.758406 0.000000\nNa Ac Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Ac\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ac",
"Au"
],
"chemical_system": "Ac-Au-Na",
"density": 10.070288177190276,
"density_atomic": 0.037672020816237724,
"volume": 106.17959730675996,
"volume_molar": 15.985712020535635,
"formula_full": "Na1 Ac1 Au2",
"formula_reduced": "NaAcAu2",
"formula_anonymous": "ABC2",
"energy": -14.42519881,
"energy_per_atom": -3.6062997025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.42519881,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013906,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.334000Z",
"spacegroup": 225
},
{
"id": "mp-1096929",
"created_at": "2022-09-04T14:44:26.749674Z",
"structure_string": "Zr64 S127\n1.0\n-7.418877 -12.849887 -0.000027\n-7.418881 12.849886 0.000031\n0.000008 -0.000052 -26.591321\nZr S\n64 127\ndirect\n0.985546 0.014455 0.989006 Zr\n0.000001 0.999998 0.749635 Zr\n1.000000 -0.000000 0.499978 Zr\n0.999964 0.000037 0.249756 Zr\n0.000934 0.256622 0.002798 Zr\n0.999999 0.250010 0.749814 Zr\n0.000002 0.250009 0.499990 Zr\n0.999968 0.249945 0.250345 Zr\n0.000934 0.494314 0.002799 Zr\n0.999997 0.499985 0.749814 Zr\n0.000003 0.499993 0.499993 Zr\n0.999968 0.500026 0.250344 Zr\n0.985547 0.721096 0.989009 Zr\n0.000001 0.750000 0.749637 Zr\n0.999998 0.749999 0.499979 Zr\n0.999966 0.749932 0.249757 Zr\n0.749920 0.749961 0.000315 Zr\n0.749929 0.749963 0.749960 Zr\n0.749991 0.749995 0.499996 Zr\n0.749888 0.749945 0.249487 Zr\n0.743379 0.999067 0.002798 Zr\n0.749989 0.000001 0.749814 Zr\n0.749991 0.999998 0.499990 Zr\n0.750055 0.000032 0.250345 Zr\n0.749999 0.250000 0.004402 Zr\n0.750000 0.249999 0.749781 Zr\n0.749999 0.250000 0.500041 Zr\n0.750000 0.250000 0.250539 Zr\n0.743380 0.494314 0.002800 Zr\n0.749988 0.499986 0.749812 Zr\n0.749990 0.499992 0.499993 Zr\n0.750057 0.500026 0.250343 Zr\n0.499426 0.500575 0.999709 Zr\n0.499983 0.500017 0.750171 Zr\n0.500002 0.499997 0.499970 Zr\n0.499993 0.500007 0.249918 Zr\n0.499424 0.748850 0.999710 Zr\n0.499982 0.749965 0.750170 Zr\n0.500002 0.750004 0.499969 Zr\n0.499992 0.749984 0.249917 Zr\n0.505686 0.999065 0.002799 Zr\n0.500015 0.000003 0.749814 Zr\n0.500007 0.999998 0.499992 Zr\n0.499974 0.000033 0.250345 Zr\n0.505686 0.256620 0.002800 Zr\n0.500014 0.250012 0.749812 Zr\n0.500007 0.250009 0.499992 Zr\n0.499975 0.249943 0.250343 Zr\n0.250038 0.250080 0.000314 Zr\n0.250037 0.250070 0.749960 Zr\n0.250004 0.250008 0.499996 Zr\n0.250055 0.250112 0.249487 Zr\n0.251150 0.500574 0.999710 Zr\n0.250035 0.500017 0.750170 Zr\n0.249997 0.499999 0.499969 Zr\n0.250016 0.500008 0.249917 Zr\n0.250039 0.749961 0.000312 Zr\n0.250035 0.749964 0.749959 Zr\n0.250004 0.749996 0.499997 Zr\n0.250056 0.749943 0.249487 Zr\n0.278904 0.014454 0.989009 Zr\n0.249999 0.999997 0.749637 Zr\n0.250000 0.000001 0.499978 Zr\n0.250069 0.000036 0.249757 Zr\n0.907694 0.092308 0.939677 S\n0.916623 0.083378 0.695334 S\n0.916658 0.083342 0.445560 S\n0.916431 0.083568 0.195635 S\n0.915063 0.332532 0.947429 S\n0.916681 0.333340 0.695398 S\n0.916639 0.333322 0.445569 S\n0.916413 0.333205 0.195997 S\n0.907696 0.565390 0.939679 S\n0.916624 0.583244 0.695334 S\n0.916656 0.583313 0.445562 S\n0.916432 0.582861 0.195634 S\n0.923775 0.836888 0.948645 S\n0.916441 0.833219 0.695378 S\n0.916663 0.833331 0.445557 S\n0.916730 0.833364 0.195049 S\n0.666549 0.833792 0.946421 S\n0.666473 0.833146 0.695594 S\n0.666677 0.833341 0.445544 S\n0.666709 0.833810 0.195429 S\n0.667467 0.084938 0.947428 S\n0.666661 0.083319 0.695398 S\n0.666678 0.083361 0.445568 S\n0.666795 0.083586 0.195997 S\n0.667468 0.332531 0.947429 S\n0.666661 0.333339 0.695396 S\n0.666679 0.333320 0.445569 S\n0.666795 0.333206 0.195997 S\n0.666549 0.582756 0.946421 S\n0.666472 0.583326 0.695593 S\n0.666675 0.583334 0.445545 S\n0.666709 0.582897 0.195428 S\n0.416667 0.583333 0.944861 S\n0.416668 0.583334 0.695702 S\n0.416668 0.583333 0.445535 S\n0.416668 0.583334 0.195447 S\n0.417246 0.833794 0.946420 S\n0.416674 0.833146 0.695594 S\n0.416665 0.833341 0.445547 S\n0.417103 0.833810 0.195428 S\n0.434609 0.092305 0.939678 S\n0.416755 0.083377 0.695333 S\n0.416687 0.083343 0.445561 S\n0.417138 0.083566 0.195634 S\n0.417245 0.333451 0.946421 S\n0.416673 0.333528 0.695593 S\n0.416666 0.333325 0.445546 S\n0.417102 0.333291 0.195428 S\n0.166207 0.333452 0.946420 S\n0.166854 0.333527 0.695594 S\n0.166660 0.333323 0.445545 S\n0.166191 0.333292 0.195429 S\n0.166206 0.582754 0.946420 S\n0.166854 0.583326 0.695594 S\n0.166659 0.583335 0.445546 S\n0.166191 0.582898 0.195428 S\n0.163111 0.836890 0.948645 S\n0.166780 0.833220 0.695379 S\n0.166670 0.833330 0.445558 S\n0.166636 0.833364 0.195049 S\n0.163112 0.076224 0.948645 S\n0.166781 0.083558 0.695379 S\n0.166669 0.083337 0.445557 S\n0.166635 0.083270 0.195049 S\n0.833532 0.916829 0.804322 S\n0.833333 0.916666 0.554418 S\n0.833631 0.916280 0.304238 S\n0.839968 0.921436 0.052212 S\n0.833294 0.166706 0.804261 S\n0.833345 0.166655 0.554436 S\n0.833510 0.166491 0.304848 S\n0.833767 0.166234 0.057044 S\n0.833294 0.416590 0.804261 S\n0.833347 0.416694 0.554438 S\n0.833510 0.417019 0.304847 S\n0.833770 0.417536 0.057046 S\n0.833532 0.666702 0.804323 S\n0.833331 0.666668 0.554419 S\n0.833628 0.667348 0.304238 S\n0.839969 0.668536 0.052214 S\n0.583481 0.666741 0.804602 S\n0.583312 0.666657 0.554414 S\n0.583609 0.666802 0.304168 S\n0.584633 0.667317 0.054843 S\n0.583480 0.916959 0.804394 S\n0.583324 0.916650 0.554418 S\n0.583151 0.916302 0.304615 S\n0.582504 0.915009 0.058684 S\n0.583409 0.166706 0.804261 S\n0.583306 0.166653 0.554438 S\n0.582981 0.166492 0.304847 S\n0.582464 0.166230 0.057045 S\n0.583480 0.416520 0.804395 S\n0.583325 0.416677 0.554420 S\n0.583151 0.416847 0.304614 S\n0.582504 0.417497 0.058685 S\n0.333259 0.416519 0.804601 S\n0.333343 0.416689 0.554413 S\n0.333197 0.416390 0.304168 S\n0.332683 0.415367 0.054844 S\n0.333261 0.666741 0.804601 S\n0.333345 0.666656 0.554413 S\n0.333196 0.666804 0.304169 S\n0.332681 0.667319 0.054844 S\n0.333298 0.916830 0.804322 S\n0.333332 0.916665 0.554419 S\n0.332651 0.916279 0.304239 S\n0.331465 0.921433 0.052213 S\n0.333299 0.166469 0.804322 S\n0.333331 0.166668 0.554419 S\n0.332652 0.166372 0.304238 S\n0.331463 0.160031 0.052214 S\n0.083170 0.166468 0.804322 S\n0.083333 0.166667 0.554418 S\n0.083720 0.166369 0.304238 S\n0.078564 0.160032 0.052212 S\n0.083042 0.416521 0.804394 S\n0.083351 0.416675 0.554419 S\n0.083698 0.416848 0.304615 S\n0.084990 0.417495 0.058685 S\n0.083171 0.666702 0.804322 S\n0.083334 0.666667 0.554419 S\n0.083721 0.667348 0.304239 S\n0.078566 0.668534 0.052213 S\n0.083333 0.916667 0.804138 S\n0.083332 0.916667 0.554410 S\n0.083333 0.916667 0.304118 S\n",
"nsites": 191,
"nelements": 2,
"elements": [
"Zr",
"S"
],
"chemical_system": "S-Zr",
"density": 3.2459450477250322,
"density_atomic": 0.03767262471860288,
"volume": 5069.9944967116535,
"volume_molar": 15.985455765247611,
"formula_full": "Zr64 S127",
"formula_reduced": "Zr64S127",
"formula_anonymous": "A64B127",
"energy": -1420.3089685,
"energy_per_atom": -7.4361726099476435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1356.4279685,
"band_gap": 0.1021,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.1107984,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.914000Z",
"spacegroup": 156
},
{
"id": "mp-1219107",
"created_at": "2022-09-04T14:46:58.756626Z",
"structure_string": "Sm2 Cd2 In2\n1.0\n2.451902 -4.246819 0.000000\n2.451902 4.246819 0.000000\n0.000000 0.000000 7.647454\nSm Cd In\n2 2 2\ndirect\n0.000000 0.000000 0.261424 Sm\n0.000000 0.000000 0.738576 Sm\n0.333333 0.666667 0.471779 Cd\n0.666667 0.333333 0.528221 Cd\n0.666667 0.333333 0.948081 In\n0.333333 0.666667 0.051919 In\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Cd",
"In"
],
"chemical_system": "Cd-In-Sm",
"density": 7.873805786597319,
"density_atomic": 0.03767363465051519,
"volume": 159.26257329986475,
"volume_molar": 15.985027236860054,
"formula_full": "Sm2 Cd2 In2",
"formula_reduced": "SmCdIn",
"formula_anonymous": "ABC",
"energy": -19.28440649,
"energy_per_atom": -3.214067748333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.28440649,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026626,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.021000Z",
"spacegroup": 164
},
{
"id": "mp-1206195",
"created_at": "2022-09-04T14:44:06.521531Z",
"structure_string": "Tb1 Zn2 As1 O2\n1.0\n3.602700 0.000000 0.000000\n0.000000 3.602700 0.000000\n0.000000 0.000000 12.269882\nTb Zn As O\n1 2 1 2\ndirect\n0.500000 0.500000 0.500000 Tb\n0.500000 0.500000 0.186300 Zn\n0.500000 0.500000 0.813700 Zn\n0.500000 0.500000 0.000000 As\n0.500000 0.500000 0.670351 O\n0.500000 0.500000 0.329649 O\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Tb",
"Zn",
"As",
"O"
],
"chemical_system": "As-O-Tb-Zn",
"density": 4.135947578191126,
"density_atomic": 0.037675121813559434,
"volume": 159.25628667351978,
"volume_molar": 15.984396254380806,
"formula_full": "Tb1 Zn2 As1 O2",
"formula_reduced": "TbZn2AsO2",
"formula_anonymous": "ABC2D2",
"energy": -26.54080796,
"energy_per_atom": -4.423467993333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.16680796,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3741968,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.286000Z",
"spacegroup": 123
},
{
"id": "mp-8458",
"created_at": "2022-09-04T14:40:14.606209Z",
"structure_string": "Ba4 As4 Pt4\n1.0\n6.829255 0.000000 0.000000\n0.000000 6.829255 0.000000\n0.000000 0.000000 6.829255\nBa As Pt\n4 4 4\ndirect\n0.610121 0.389879 0.889879 Ba\n0.389879 0.889879 0.610121 Ba\n0.110121 0.110121 0.110121 Ba\n0.889879 0.610121 0.389879 Ba\n0.171194 0.328806 0.671194 As\n0.671194 0.171194 0.328806 As\n0.328806 0.671194 0.171194 As\n0.828806 0.828806 0.828806 As\n0.595574 0.904426 0.095574 Pt\n0.095574 0.595574 0.904426 Pt\n0.404426 0.404426 0.404426 Pt\n0.904426 0.095574 0.595574 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"As",
"Pt"
],
"chemical_system": "As-Ba-Pt",
"density": 8.494508792482721,
"density_atomic": 0.03767569375964508,
"volume": 318.50773808054873,
"volume_molar": 15.984153598918974,
"formula_full": "Ba4 As4 Pt4",
"formula_reduced": "BaAsPt",
"formula_anonymous": "ABC",
"energy": -62.54059751,
"energy_per_atom": -5.2117164591666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.54059751,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003536,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.543000Z",
"spacegroup": 198
},
{
"id": "mp-19794",
"created_at": "2022-09-04T14:40:14.655622Z",
"structure_string": "Eu2 Sn2 P2\n1.0\n4.269873 0.000000 0.000000\n0.000000 4.269873 0.000000\n0.000000 0.000000 8.734924\nEu Sn P\n2 2 2\ndirect\n0.000000 0.500000 0.168513 Eu\n0.500000 0.000000 0.831487 Eu\n0.500000 0.000000 0.450386 Sn\n0.000000 0.500000 0.549614 Sn\n0.000000 0.500000 0.836347 P\n0.500000 0.000000 0.163653 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Eu",
"Sn",
"P"
],
"chemical_system": "Eu-P-Sn",
"density": 6.290572242065039,
"density_atomic": 0.03767577581008797,
"volume": 159.25352221661365,
"volume_molar": 15.984118788570578,
"formula_full": "Eu2 Sn2 P2",
"formula_reduced": "EuSnP",
"formula_anonymous": "ABC",
"energy": -44.2706836,
"energy_per_atom": -7.378447266666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.2706836,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.5174086,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:56.097000Z",
"spacegroup": 129
}
]
}