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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=1726",
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"results": [
{
"id": "mp-756736",
"created_at": "2022-09-04T14:43:21.639124Z",
"structure_string": "Mn3 Co5 O16\n1.0\n5.668120 -0.015770 -0.031226\n-2.847719 4.932798 0.000076\n-0.050462 -0.028987 8.611270\nMn Co O\n3 5 16\ndirect\n0.665061 0.832533 0.210886 Mn\n0.832689 0.664656 0.710592 Mn\n0.832658 0.168031 0.710586 Mn\n0.167508 0.831418 0.206819 Co\n0.335780 0.667901 0.483591 Co\n0.167511 0.336122 0.206833 Co\n0.334765 0.167404 0.705656 Co\n0.666545 0.333279 0.986156 Co\n0.172508 0.837259 0.601345 O\n0.045868 0.522971 0.337451 O\n0.328597 0.664284 0.096791 O\n0.006981 0.003513 0.318568 O\n0.004031 0.002026 0.820100 O\n0.172487 0.335274 0.601339 O\n0.474001 0.958236 0.342303 O\n0.474021 0.515772 0.342311 O\n0.333648 0.166820 0.104334 O\n0.657098 0.828554 0.598789 O\n0.515638 0.472448 0.842232 O\n0.515661 0.043230 0.842248 O\n0.665860 0.332954 0.595879 O\n0.835851 0.663047 0.102216 O\n0.959371 0.479659 0.846468 O\n0.835860 0.172808 0.102225 O\n",
"nsites": 24,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Mn-O",
"density": 4.942629518698933,
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"volume": 240.37139105015606,
"volume_molar": 6.03145979825435,
"formula_full": "Mn3 Co5 O16",
"formula_reduced": "Mn3Co5O16",
"formula_anonymous": "A3B5C16",
"energy": -173.29159492,
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"spacegroup": 8
},
{
"id": "mp-541937",
"created_at": "2022-09-04T14:43:21.646924Z",
"structure_string": "Zn1 In2 S4\n1.0\n12.680403 -1.963045 0.000000\n12.680403 1.963045 0.000000\n12.376505 0.000000 3.386486\nZn In S\n1 2 4\ndirect\n0.607971 0.607971 0.607971 Zn\n0.837276 0.837276 0.837276 In\n0.064822 0.064822 0.064822 In\n0.954749 0.954749 0.954749 S\n0.702990 0.702990 0.702990 S\n0.537036 0.537036 0.537036 S\n0.129756 0.129756 0.129756 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Zn",
"In",
"S"
],
"chemical_system": "In-S-Zn",
"density": 4.169268879786113,
"density_atomic": 0.04151981868469633,
"volume": 168.59418518077754,
"volume_molar": 14.504255921087834,
"formula_full": "Zn1 In2 S4",
"formula_reduced": "Zn(InS2)2",
"formula_anonymous": "AB2C4",
"energy": -29.23080343,
"energy_per_atom": -4.175829061428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -27.21880343,
"band_gap": 0.1358000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001389,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:14.016000Z",
"spacegroup": 160
},
{
"id": "mp-510752",
"created_at": "2022-09-04T14:43:21.656469Z",
"structure_string": "Cu8 O8\n1.0\n2.830038 0.000000 0.000000\n0.000000 6.461516 0.000000\n0.000000 0.000000 12.331546\nCu O\n8 8\ndirect\n0.250000 0.107616 0.254241 Cu\n0.750000 0.392384 0.754241 Cu\n0.250000 0.607616 0.245759 Cu\n0.750000 0.892384 0.745759 Cu\n0.250000 0.151234 0.598473 Cu\n0.750000 0.348766 0.098473 Cu\n0.250000 0.651234 0.901527 Cu\n0.750000 0.848766 0.401527 Cu\n0.250000 0.158210 0.109342 O\n0.250000 0.043912 0.398349 O\n0.750000 0.456088 0.898349 O\n0.750000 0.341790 0.609342 O\n0.250000 0.658210 0.390658 O\n0.250000 0.543912 0.101651 O\n0.750000 0.956088 0.601651 O\n0.750000 0.841790 0.890658 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Cu",
"O"
],
"chemical_system": "Cu-O",
"density": 4.686082564013981,
"density_atomic": 0.07095381712387194,
"volume": 225.49879130628062,
"volume_molar": 8.487409140351788,
"formula_full": "Cu8 O8",
"formula_reduced": "CuO",
"formula_anonymous": "AB",
"energy": -85.01750469999999,
"energy_per_atom": -5.313594043749999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -79.5215047,
"band_gap": 0.0222999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001163,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.894000Z",
"spacegroup": 62
},
{
"id": "mp-1186462",
"created_at": "2022-09-04T14:43:21.660427Z",
"structure_string": "Pm2 Cu1 Pd1\n1.0\n0.000000 3.584106 3.584106\n3.584106 0.000000 3.584106\n3.584106 3.584106 0.000000\nPm Cu Pd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Cu",
"Pd"
],
"chemical_system": "Cu-Pd-Pm",
"density": 8.294730801498298,
"density_atomic": 0.0434397642175228,
"volume": 92.0815311052373,
"volume_molar": 13.863198542801435,
"formula_full": "Pm2 Cu1 Pd1",
"formula_reduced": "Pm2CuPd",
"formula_anonymous": "ABC2",
"energy": -20.65646144,
"energy_per_atom": -5.16411536,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.65646144,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015955,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.198000Z",
"spacegroup": 225
},
{
"id": "mp-505004",
"created_at": "2022-09-04T14:43:21.661236Z",
"structure_string": "Mn2 H20 S2 O18\n1.0\n6.179864 0.000000 0.000000\n2.160962 5.952557 0.000000\n1.603329 2.344940 10.585514\nMn H S O\n2 20 2 18\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.729471 0.898090 0.852185 H\n0.270529 0.101910 0.147815 H\n0.764772 0.709223 0.982432 H\n0.235228 0.290777 0.017568 H\n0.639349 0.360599 0.872135 H\n0.360651 0.639401 0.127865 H\n0.879508 0.344076 0.792620 H\n0.120492 0.655924 0.207380 H\n0.621289 0.337419 0.628540 H\n0.378711 0.662581 0.371460 H\n0.544494 0.612834 0.613369 H\n0.455506 0.387166 0.386631 H\n0.818749 0.872470 0.625477 H\n0.181251 0.127530 0.374523 H\n0.092089 0.824442 0.605720 H\n0.907911 0.175558 0.394280 H\n0.286131 0.613644 0.867937 H\n0.713869 0.386356 0.132063 H\n0.269462 0.419335 0.807731 H\n0.730538 0.580665 0.192269 H\n0.343166 0.025736 0.714265 S\n0.656834 0.974264 0.285735 S\n0.285787 0.919407 0.847886 O\n0.714213 0.080593 0.152114 O\n0.172698 0.262282 0.679501 O\n0.827302 0.737718 0.320499 O\n0.337679 0.879162 0.628843 O\n0.662321 0.120838 0.371157 O\n0.579313 0.048384 0.704746 O\n0.420687 0.951616 0.295254 O\n0.834104 0.816673 0.921016 O\n0.165896 0.183327 0.078984 O\n0.808466 0.320822 0.878932 O\n0.191534 0.679178 0.121068 O\n0.674055 0.473570 0.600714 O\n0.325945 0.526430 0.399286 O\n0.965200 0.770235 0.593919 O\n0.034800 0.229765 0.406081 O\n0.339718 0.445308 0.875043 O\n0.660282 0.554692 0.124957 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Mn",
"H",
"S",
"O"
],
"chemical_system": "H-Mn-O-S",
"density": 2.056082426993009,
"density_atomic": 0.10785861991532995,
"volume": 389.3986408593991,
"volume_molar": 5.583365302399973,
"formula_full": "Mn2 H20 S2 O18",
"formula_reduced": "MnH10SO9",
"formula_anonymous": "ABC9D10",
"energy": -245.97108861000004,
"energy_per_atom": -5.856454490714286,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -230.26908861,
"band_gap": 3.8814,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:18.608000Z",
"spacegroup": 2
},
{
"id": "mp-1087513",
"created_at": "2022-09-04T14:43:21.664394Z",
"structure_string": "Tb2 Mn1 Ga6\n1.0\n0.000000 4.388759 4.388759\n4.388759 0.000000 4.388759\n4.388759 4.388759 0.000000\nTb Mn Ga\n2 1 6\ndirect\n0.750000 0.750000 0.750000 Tb\n0.250000 0.250000 0.250000 Tb\n0.500000 0.500000 0.500000 Mn\n0.781340 0.781340 0.218660 Ga\n0.218660 0.781340 0.218660 Ga\n0.781340 0.218660 0.218660 Ga\n0.218660 0.218660 0.781340 Ga\n0.781340 0.218660 0.781340 Ga\n0.218660 0.781340 0.781340 Ga\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tb",
"Mn",
"Ga"
],
"chemical_system": "Ga-Mn-Tb",
"density": 7.7703390502007315,
"density_atomic": 0.053233781113624326,
"volume": 169.0655785053111,
"volume_molar": 11.31263012699793,
"formula_full": "Tb2 Mn1 Ga6",
"formula_reduced": "Tb2MnGa6",
"formula_anonymous": "AB2C6",
"energy": -41.35149791,
"energy_per_atom": -4.594610878888889,
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"is_stable": null,
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"energy_uncorrected": -41.35149791,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.3044611,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:06.609000Z",
"spacegroup": 225
},
{
"id": "mp-2816",
"created_at": "2022-09-04T14:43:21.679499Z",
"structure_string": "Nd4 Tl2\n1.0\n2.794523 -4.840257 0.000000\n2.794523 4.840257 0.000000\n0.000000 0.000000 6.971818\nNd Tl\n4 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.333333 0.666667 0.750000 Nd\n0.666667 0.333333 0.250000 Nd\n0.333333 0.666667 0.250000 Tl\n0.666667 0.333333 0.750000 Tl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nd",
"Tl"
],
"chemical_system": "Nd-Tl",
"density": 8.678745464466525,
"density_atomic": 0.03181259549494795,
"volume": 188.60454190079648,
"volume_molar": 18.930051655031907,
"formula_full": "Nd4 Tl2",
"formula_reduced": "Nd2Tl",
"formula_anonymous": "AB2",
"energy": -25.40329223,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:18.440000Z",
"spacegroup": 194
},
{
"id": "mp-1214927",
"created_at": "2022-09-04T14:43:21.692176Z",
"structure_string": "Ca1 B3 C6 O6\n1.0\n-3.666285 -4.796380 0.339635\n-4.302784 5.368917 -0.191670\n0.581517 1.039172 -24.796488\nCa B C O\n1 3 6 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 B\n0.500000 0.500000 0.000000 B\n0.000000 0.500000 0.000000 B\n0.907885 0.014773 0.742720 C\n0.092115 0.985227 0.257280 C\n0.645402 0.696534 0.984086 C\n0.354598 0.303465 0.015914 C\n0.168729 0.389484 0.004179 C\n0.831271 0.610516 0.995821 C\n0.980963 0.180556 0.756850 O\n0.019037 0.819444 0.243150 O\n0.834947 0.848644 0.728623 O\n0.165053 0.151356 0.271377 O\n0.635376 0.877061 0.968749 O\n0.364624 0.122939 0.031251 O\n",
"nsites": 16,
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"elements": [
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"C",
"O"
],
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"density": 0.40065503643492284,
"density_atomic": 0.016047121282464574,
"volume": 997.0635678739422,
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"formula_full": "Ca1 B3 C6 O6",
"formula_reduced": "CaB3(CO)6",
"formula_anonymous": "AB3C6D6",
"energy": -113.05680549,
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"updated_at": "2021-11-28T01:36:17.396000Z",
"spacegroup": 2
},
{
"id": "mp-1247679",
"created_at": "2022-09-04T14:43:21.693660Z",
"structure_string": "Sr4 Ca28 Mn24 Al8 O84\n1.0\n10.924900 -0.029268 -0.040388\n-0.039539 15.395705 0.031704\n-0.038973 0.023009 10.845590\nSr Ca Mn Al O\n4 28 24 8 84\ndirect\n0.002389 0.131167 0.492080 Sr\n0.498713 0.358693 0.010501 Sr\n0.229908 0.372124 0.261132 Sr\n0.255831 0.126299 0.248119 Sr\n0.011776 0.119705 0.998268 Ca\n0.010004 0.619104 0.510729 Ca\n0.019469 0.619143 0.997744 Ca\n0.525377 0.129961 0.511656 Ca\n0.522327 0.120884 0.974183 Ca\n0.529068 0.624078 0.495083 Ca\n0.539022 0.627841 0.006499 Ca\n0.493205 0.382169 0.512872 Ca\n0.500092 0.871608 0.979671 Ca\n0.490467 0.873870 0.496855 Ca\n0.975676 0.388688 0.005887 Ca\n0.990130 0.393554 0.499449 Ca\n0.976827 0.877075 0.001422 Ca\n0.979350 0.867446 0.523937 Ca\n0.237058 0.384256 0.740044 Ca\n0.242030 0.886473 0.249374 Ca\n0.233307 0.885833 0.756467 Ca\n0.734532 0.399038 0.257528 Ca\n0.724022 0.385697 0.747714 Ca\n0.739030 0.863739 0.243149 Ca\n0.728389 0.872615 0.750350 Ca\n0.284449 0.120585 0.745304 Ca\n0.264913 0.615241 0.267064 Ca\n0.239302 0.621057 0.730991 Ca\n0.714611 0.124953 0.241734 Ca\n0.736770 0.113736 0.750405 Ca\n0.779194 0.627185 0.256819 Ca\n0.781009 0.628089 0.762379 Ca\n0.006186 0.986632 0.251776 Mn\n0.996942 0.994644 0.761625 Mn\n0.997305 0.502668 0.251012 Mn\n0.004566 0.501908 0.755450 Mn\n0.498493 0.503219 0.245097 Mn\n0.501774 0.504571 0.741355 Mn\n0.253832 0.001676 0.000900 Mn\n0.249496 0.501399 0.500661 Mn\n0.748694 0.997447 -0.000676 Mn\n0.735945 0.996312 0.516144 Mn\n0.750404 0.502430 0.001348 Mn\n0.753738 0.501669 0.501029 Mn\n0.266002 0.736463 0.991101 Mn\n0.245544 0.758453 0.481016 Mn\n0.774270 0.241662 0.981215 Mn\n0.756873 0.250685 0.492458 Mn\n0.758691 0.749622 0.003901 Mn\n0.757496 0.748150 0.507182 Mn\n0.993530 0.261671 0.749170 Mn\n0.003939 0.748430 0.260451 Mn\n0.007861 0.751129 0.760071 Mn\n0.507212 0.250858 0.747891 Mn\n0.510007 0.746124 0.259880 Mn\n0.506606 0.744976 0.753274 Mn\n0.505890 0.979770 0.226101 Al\n0.485992 0.992242 0.743178 Al\n0.225542 0.000304 0.519487 Al\n0.235598 0.495711 0.020642 Al\n0.245085 0.252682 0.945498 Al\n0.278134 0.241970 0.499202 Al\n0.969580 0.262874 0.255261 Al\n0.507085 0.263177 0.281576 Al\n0.131145 0.779458 0.618152 O\n0.529227 0.216361 0.138588 O\n0.627111 0.275433 0.620218 O\n0.606133 0.767734 0.108504 O\n0.601518 0.768945 0.605965 O\n0.378088 0.233167 0.368346 O\n0.392037 0.227944 0.883189 O\n0.407414 0.734334 0.404508 O\n0.416290 0.727099 0.908335 O\n0.860782 0.210984 0.350627 O\n0.897890 0.190889 0.844229 O\n0.906004 0.731242 0.414743 O\n0.907720 0.730745 0.905937 O\n0.107571 0.225082 0.314472 O\n0.153599 0.237131 0.806668 O\n0.173460 0.747086 0.298172 O\n0.148885 0.727588 0.861355 O\n0.629046 0.232187 0.375858 O\n0.640576 0.233793 0.863957 O\n0.662961 0.731361 0.360534 O\n0.658743 0.737352 0.859624 O\n0.379435 0.262006 0.627842 O\n0.919176 0.247742 0.099390 O\n0.906614 0.262114 0.597162 O\n0.871280 0.772944 0.145136 O\n0.861110 0.774685 0.654475 O\n0.364343 0.478952 0.125553 O\n0.360086 0.479834 0.638538 O\n0.363051 0.004504 0.157192 O\n0.349753 0.997882 0.635276 O\n0.856201 0.486657 0.144151 O\n0.861131 0.481958 0.643059 O\n0.851811 0.996501 0.174754 O\n0.857087 0.989282 0.654495 O\n0.129792 0.019722 0.368716 O\n0.146326 0.025643 0.857999 O\n0.139628 0.506869 0.357500 O\n0.179703 0.512904 0.864673 O\n0.571707 0.036985 0.349904 O\n0.641178 0.000492 0.857686 O\n0.642774 0.523675 0.349920 O\n0.635256 0.525345 0.858415 O\n0.391985 0.011961 0.889130 O\n0.391372 0.509430 0.389487 O\n0.898958 0.009638 0.909917 O\n0.895275 0.524488 0.391195 O\n0.896495 0.517241 0.898219 O\n0.101202 0.479837 0.112918 O\n0.113603 0.491473 0.613943 O\n0.110524 0.992220 0.107356 O\n0.094278 0.987515 0.615008 O\n0.609411 0.484241 0.106198 O\n0.615417 0.482966 0.600577 O\n0.609863 0.981037 0.103263 O\n0.593308 0.977580 0.615322 O\n0.982689 0.377091 0.279676 O\n0.013596 0.380550 0.788070 O\n0.011277 0.871368 0.301368 O\n0.022249 0.869519 0.799185 O\n0.508979 0.377387 0.277454 O\n0.500915 0.379227 0.785231 O\n0.491155 0.870651 0.275940 O\n0.466409 0.868251 0.764717 O\n0.510841 0.124326 0.724351 O\n0.478701 0.626534 0.212301 O\n0.465650 0.627120 0.709391 O\n0.999823 0.626314 0.213201 O\n0.001988 0.626566 0.721839 O\n0.205073 0.170085 0.045348 O\n0.231865 0.131387 0.526330 O\n0.240158 0.622202 0.049669 O\n0.230550 0.636979 0.514008 O\n0.738743 0.121676 0.027704 O\n0.743996 0.118258 0.531161 O\n0.749992 0.628573 0.040192 O\n0.746822 0.626949 0.548285 O\n0.207521 0.345587 0.497560 O\n0.245841 0.363396 0.988814 O\n0.272680 0.889559 0.463400 O\n0.271192 0.857123 0.017453 O\n0.765979 0.378960 0.462093 O\n0.761006 0.367181 0.972953 O\n0.763695 0.881130 0.458800 O\n0.764424 0.874971 0.973086 O\n",
"nsites": 148,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Mn",
"Al",
"O"
],
"chemical_system": "Al-Ca-Mn-O-Sr",
"density": 3.960741393244835,
"density_atomic": 0.08113385639302335,
"volume": 1824.1460048819574,
"volume_molar": 7.422475681209996,
"formula_full": "Sr4 Ca28 Mn24 Al8 O84",
"formula_reduced": "SrCa7Mn6Al2O21",
"formula_anonymous": "AB2C6D7E21",
"energy": -1129.45841763,
"energy_per_atom": -7.631475794797297,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -1031.71841763,
"band_gap": 0.1230000000000002,
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"total_magnetization": 88.0000015,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.251000Z",
"spacegroup": 1
},
{
"id": "mp-1183715",
"created_at": "2022-09-04T14:43:21.695570Z",
"structure_string": "Co1 Rh1 O3\n1.0\n3.893830 0.000000 0.000000\n0.000000 3.893830 0.000000\n0.000000 0.000000 3.893830\nCo Rh O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"elements": [
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"Rh",
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],
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"density": 5.902010642739138,
"density_atomic": 0.08469134770097501,
"volume": 59.037908071244885,
"volume_molar": 7.110691851619537,
"formula_full": "Co1 Rh1 O3",
"formula_reduced": "CoRhO3",
"formula_anonymous": "ABC3",
"energy": -31.55769736,
"energy_per_atom": -6.311539472,
"energy_above_hull": null,
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"energy_uncorrected": -27.85869736,
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"updated_at": "2021-11-28T01:36:06.725000Z",
"spacegroup": 221
},
{
"id": "mp-1212923",
"created_at": "2022-09-04T14:43:21.696149Z",
"structure_string": "Dy16 Mg4 Ir4\n1.0\n0.000000 6.863781 6.863781\n6.863781 0.000000 6.863781\n6.863781 6.863781 0.000000\nDy Mg Ir\n16 4 4\ndirect\n0.347464 0.347464 0.347464 Dy\n0.347464 0.347464 0.957607 Dy\n0.347464 0.957607 0.347464 Dy\n0.957607 0.347464 0.347464 Dy\n0.813006 0.186994 0.186994 Dy\n0.186994 0.813006 0.813006 Dy\n0.186994 0.813006 0.186994 Dy\n0.813006 0.186994 0.813006 Dy\n0.186994 0.186994 0.813006 Dy\n0.813006 0.813006 0.186994 Dy\n0.936355 0.563645 0.563645 Dy\n0.563645 0.936355 0.936355 Dy\n0.563645 0.936355 0.563645 Dy\n0.936355 0.563645 0.936355 Dy\n0.563645 0.563645 0.936355 Dy\n0.936355 0.936355 0.563645 Dy\n0.579315 0.579315 0.579315 Mg\n0.579315 0.579315 0.262055 Mg\n0.579315 0.262055 0.579315 Mg\n0.262055 0.579315 0.579315 Mg\n0.141733 0.141733 0.141733 Ir\n0.141733 0.141733 0.574802 Ir\n0.141733 0.574802 0.141733 Ir\n0.574802 0.141733 0.141733 Ir\n",
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"Mg",
"Ir"
],
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"density": 8.899557881002565,
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"volume": 646.7258946154609,
"volume_molar": 16.22780987713013,
"formula_full": "Dy16 Mg4 Ir4",
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"updated_at": "2021-11-28T01:36:15.532000Z",
"spacegroup": 216
},
{
"id": "mp-755692",
"created_at": "2022-09-04T14:43:21.706284Z",
"structure_string": "Nb2 V2 O10\n1.0\n6.879965 0.000000 0.000000\n0.000000 6.879965 0.000000\n0.000000 0.000000 4.299014\nNb V O\n2 2 10\ndirect\n0.000000 0.500000 0.797943 Nb\n0.500000 0.000000 0.202057 Nb\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.500000 V\n0.492307 0.289905 0.276026 O\n0.710095 0.492307 0.723974 O\n0.000000 0.500000 0.211719 O\n0.289905 0.507693 0.723974 O\n0.507693 0.710095 0.276026 O\n0.992307 0.789905 0.723974 O\n0.210095 0.992307 0.276026 O\n0.500000 0.000000 0.788281 O\n0.789905 0.007693 0.276026 O\n0.007693 0.210095 0.723974 O\n",
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"elements": [
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"V",
"O"
],
"chemical_system": "Nb-O-V",
"density": 3.6532966712798634,
"density_atomic": 0.06879972756161688,
"volume": 203.4891778817239,
"volume_molar": 8.753146231002999,
"formula_full": "Nb2 V2 O10",
"formula_reduced": "NbVO5",
"formula_anonymous": "ABC5",
"energy": -125.45832554,
"energy_per_atom": -8.961308967142857,
"energy_above_hull": null,
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"energy_uncorrected": -115.18832554,
"band_gap": 1.7853,
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"is_magnetic": false,
"total_magnetization": 0.0004071,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.704000Z",
"spacegroup": 85
}
]
}