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{
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"updated_at": "2022-09-04T14:36:32.849731Z",
"structure_string": "Ca1 Mg1 Sn1\n1.0\n4.267120 -0.000000 2.463623\n1.422373 4.023079 2.463623\n-0.000000 -0.000000 4.927245\nCa Mg Sn\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Sn\n",
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{
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"structure_string": "Ca1 Mg1 S2\n1.0\n3.692719 0.002653 5.551865\n1.679714 3.288577 5.551865\n0.004331 0.002653 6.667786\nCa Mg S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500002 Mg\n0.243155 0.243155 0.243156 S\n0.756845 0.756844 0.756847 S\n",
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"structure_string": "Ca1 Mg1 P2 Se6\n1.0\n5.873482 -0.116906 5.085376\n2.253175 5.425371 5.085376\n-0.178969 -0.116906 7.767033\nCa Mg P Se\n1 1 2 6\ndirect\n0.828929 0.828926 0.828929 Ca\n0.171292 0.171291 0.171292 Mg\n0.555197 0.555195 0.555197 P\n0.443591 0.443590 0.443591 P\n0.916625 0.272936 0.573782 Se\n0.573782 0.916624 0.272938 Se\n0.272938 0.573780 0.916625 Se\n0.110653 0.754797 0.372200 Se\n0.372200 0.110651 0.754798 Se\n0.754798 0.372199 0.110653 Se\n",
"nsites": 10,
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"elements": [
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"density": 3.8811769391606257,
"density_atomic": 0.03894911336771659,
"volume": 256.74525388012074,
"volume_molar": 15.461560583280233,
"formula_full": "Ca1 Mg1 P2 Se6",
"formula_reduced": "CaMg(PSe3)2",
"formula_anonymous": "ABC2D6",
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"spacegroup": 146
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{
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"created_at": "2022-09-04T14:38:17.815952Z",
"updated_at": "2022-09-04T14:38:17.815982Z",
"structure_string": "Ca1 Mg1 Ni4\n1.0\n4.283372 0.000000 2.473006\n1.427790 4.038402 2.473006\n-0.000000 -0.000000 4.946012\nCa Mg Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Mg\n0.624261 0.624261 0.624262 Ni\n0.624261 0.624261 0.127217 Ni\n0.127216 0.624261 0.624261 Ni\n0.624261 0.127216 0.624261 Ni\n",
"nsites": 6,
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"elements": [
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"density": 5.806269350821944,
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"volume": 85.55600701867324,
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"formula_full": "Ca1 Mg1 Ni4",
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{
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"created_at": "2022-09-04T14:37:51.017537Z",
"updated_at": "2022-09-04T14:37:51.017564Z",
"structure_string": "Ca1 Mg1 Hg2\n1.0\n-0.000000 3.610093 3.610093\n3.610093 0.000000 3.610093\n3.610093 3.610093 0.000000\nCa Mg Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.749999 0.749999 0.749999 Mg\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
"nsites": 4,
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"elements": [
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"density": 8.215658713871642,
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"formula_full": "Ca1 Mg1 Hg2",
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{
"id": "jvasp-106497",
"created_at": "2022-09-04T14:36:47.540726Z",
"updated_at": "2022-09-04T14:36:47.540745Z",
"structure_string": "Ca1 Mg1 Cd2\n1.0\n4.448638 -0.000000 2.568422\n1.482879 4.194216 2.568422\n-0.000000 -0.000000 5.136844\nCa Mg Cd\n1 1 2\ndirect\n0.500000 0.500001 0.499999 Ca\n0.000000 0.000000 0.000000 Mg\n0.750000 0.750001 0.749998 Cd\n0.250000 0.250000 0.249999 Cd\n",
"nsites": 4,
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"formula_full": "Ca1 Mg1 Cd2",
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{
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"created_at": "2022-09-04T14:37:59.226791Z",
"updated_at": "2022-09-04T14:37:59.226802Z",
"structure_string": "Ca1 Mg1 C2 O6\n1.0\n4.410458 -0.021245 4.051422\n1.766542 4.041278 4.051422\n-0.032644 -0.021245 5.988748\nCa Mg C O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500001 0.499999 0.500000 Mg\n0.757108 0.757106 0.757107 C\n0.242893 0.242892 0.242893 C\n0.721926 0.507632 0.038710 O\n0.038710 0.721925 0.507633 O\n0.492368 0.961289 0.278074 O\n0.278076 0.492366 0.961290 O\n0.961291 0.278073 0.492367 O\n0.507634 0.038709 0.721926 O\n",
"nsites": 10,
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"elements": [
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"density": 2.8422720069779297,
"density_atomic": 0.09282260223461024,
"volume": 107.73238154565932,
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"formula_full": "Ca1 Mg1 C2 O6",
"formula_reduced": "CaMg(CO3)2",
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{
"id": "jvasp-71026",
"created_at": "2022-09-04T14:36:16.963694Z",
"updated_at": "2022-09-04T14:36:16.963732Z",
"structure_string": "Ca1 Mg1 Be2\n1.0\n4.653712 0.000000 0.000000\n0.000000 4.653712 0.000000\n-0.000000 -0.000000 3.398764\nCa Mg Be\n1 1 2\ndirect\n0.000000 0.000000 0.499999 Ca\n0.500000 0.500000 0.499999 Mg\n0.000000 0.500000 0.000000 Be\n0.500000 0.000000 0.000000 Be\n",
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"volume": 73.60715219268121,
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"formula_full": "Ca1 Mg1 Be2",
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"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-68306",
"created_at": "2022-09-04T14:36:00.687141Z",
"updated_at": "2022-09-04T14:36:00.687167Z",
"structure_string": "Ca1 Mg1 Be1\n1.0\n2.319182 -4.016939 -0.000000\n2.319182 4.016939 0.000000\n0.000000 0.000000 3.734721\nCa Mg Be\n1 1 1\ndirect\n0.666667 0.333333 0.333331 Ca\n0.333333 0.666667 0.833355 Mg\n0.000000 -0.000000 0.833315 Be\n",
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},
{
"id": "jvasp-67307",
"created_at": "2022-09-04T14:35:42.291537Z",
"updated_at": "2022-09-04T14:35:42.291557Z",
"structure_string": "Ca1 Mg1 Be1\n1.0\n-1.669583 1.669583 5.856159\n1.669583 -1.669583 5.856159\n1.669583 1.669583 -5.856159\nCa Mg Be\n1 1 1\ndirect\n0.352524 0.352524 0.000000 Ca\n0.631469 0.631469 0.000000 Mg\n0.016007 0.016007 0.000000 Be\n",
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{
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"created_at": "2022-09-04T14:38:26.042902Z",
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"structure_string": "Ca1 Mg1\n1.0\n1.819995 -3.152328 0.000000\n1.819995 3.152328 0.000000\n-0.000000 0.000000 5.512529\nCa Mg\n1 1\ndirect\n0.666668 0.333335 0.750000 Ca\n0.333335 0.666668 0.250000 Mg\n",
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{
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"structure_string": "Ca1 Mg1\n1.0\n3.350609 -0.000000 0.000000\n0.000000 3.350609 0.000000\n0.000000 -0.000000 6.683909\nCa Mg\n1 1\ndirect\n0.000000 0.000000 0.250004 Ca\n0.000000 0.000000 0.749997 Mg\n",
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